#DEFINITION	Reference Metabolome for Causonis japonica
#IDENTTFIER	RefMeta-Causonis japonica.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Causonis japonica
#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 Causonis japonica 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	997.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03327	0.7
71.01267	3.6
71.04919	1.4
71.56149	0.4
72.02060	0.3
73.02828	1.0
75.00771	0.6
76.84895	0.3
80.02561	1.3
81.03356	1.7
83.01283	0.6
83.04420	0.2
83.04917	5.6
84.02064	2.2
85.02851	1.8
87.00770	0.5
89.02337	0.7
93.03367	0.4
95.01280	0.3
95.04939	1.9
96.95924	0.9
97.02870	1.5
97.06499	2.5
98.03645	0.7
99.00792	0.4
99.04424	0.9
99.08047	2.6
101.02353	1.3
107.04945	0.5
108.02065	0.5
109.02891	0.5
109.06499	5.0
110.03631	0.4
111.00789	0.3
111.08074	1.3
112.05223	0.7
113.02354	0.7
113.05967	0.6
113.09628	0.4
115.07580	2.0
121.02880	1.1
121.06517	0.5
121.34693	0.2
123.04436	1.1
123.08094	0.7
125.02269	0.3
125.06005	0.8
125.09645	5.0
127.07574	9.6
127.11187	0.6
133.06468	0.4
135.04440	0.4
135.08081	2.3
137.02374	0.3
137.09663	0.8
138.06749	0.3
139.07607	2.9
141.09119	1.2
141.12787	0.4
142.02625	0.6
149.09592	0.3
151.11278	0.5
153.09152	7.8
153.12798	0.4
155.03412	0.3
155.10733	2.6
161.02333	0.3
161.04510	0.5
161.09662	0.4
163.11246	7.9
165.01862	0.4
165.09148	0.3
165.12784	2.8
167.10674	0.4
171.10228	11.3
172.10654	0.5
177.09186	0.4
178.09970	2.8
179.10724	0.5
181.12318	1.8
185.11798	13.6
186.12140	0.5
189.09180	0.4
191.10779	1.7
191.14403	1.8
193.12328	0.3
197.11821	13.5
198.12158	0.6
199.13335	0.3
204.88199	0.3
207.10262	14.9
209.11823	84.4
210.12158	4.3
211.13365	0.3
219.10240	0.3
219.13896	0.6
220.98131	0.3
221.11832	0.5
225.09241	0.5
225.11325	6.4
226.11783	0.3
227.12888	4.6
231.10191	0.5
235.08304	1.3
236.10606	1.0
237.11282	0.7
237.14796	0.4
238.12119	4.0
239.16580	0.7
245.19075	3.6
249.11249	0.6
251.16655	0.7
253.09215	2.5
253.18204	0.9
255.12370	0.4
256.13177	2.1
263.20227	1.2
265.14508	0.3
265.18149	0.8
271.17090	0.7
279.19675	1.5
281.21286	1.2
288.42151	0.3
289.18161	10.1
290.18570	0.6
297.20816	0.7
299.15015	0.4
307.19217	85.3
308.19556	5.2
313.38986	0.3
324.18619	0.4
325.20267	100.0
326.20612	6.3
327.21301	0.4
367.08084	0.3
399.21851	2.0
400.22141	0.3
417.22653	1.5
443.19385	1.2
445.20862	0.9
461.20294	2.2
485.20407	0.3
487.10239	0.3
609.29132	0.4
625.32562	0.4
627.30115	0.6
635.30847	8.9
636.31335	1.0
653.31885	9.1
654.32202	0.9
671.32990	11.7
672.33105	1.6
831.09790	0.3
838.65558	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	993.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03320	3.5
71.01269	96.7
71.04914	0.6
71.56171	0.7
72.99190	3.8
73.02835	85.7
74.03177	1.2
75.00766	2.4
81.03356	0.8
83.01275	32.3
85.02845	10.4
87.00766	3.3
89.01829	1.4
89.02340	20.8
89.97198	0.6
95.01280	3.1
96.95907	1.7
97.02877	1.6
99.00779	2.2
99.04411	0.9
101.02345	94.6
102.02692	1.4
113.02358	35.2
119.03422	15.2
125.02356	3.5
125.09636	1.0
131.03435	9.9
137.09612	0.9
143.03427	12.0
147.02971	0.8
149.04494	23.2
150.65286	0.8
151.11264	0.8
152.01141	0.9
155.03429	2.2
161.04501	37.7
161.09679	1.3
173.11842	0.9
179.05634	1.7
179.10745	2.6
191.03506	0.8
197.11806	21.6
203.05637	4.4
221.06650	16.5
241.10745	3.3
269.04608	0.8
315.14557	24.9
316.14859	1.3
354.14267	0.7
355.24973	0.9
373.25970	6.4
412.36084	0.8
535.31354	100.0
536.31635	11.6
724.15527	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	985.5762
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03333	0.5
71.01264	3.7
73.02827	0.8
75.00733	0.6
83.01211	0.5
83.04904	0.6
85.02834	1.1
87.00770	0.7
89.02331	2.8
95.51738	0.4
96.95921	0.9
97.02859	0.6
98.19798	1.0
99.00761	0.6
101.02334	2.5
109.06476	0.8
111.08085	1.2
113.02358	1.3
119.03436	1.0
125.02362	1.0
125.09654	0.7
127.11209	1.5
137.36697	0.5
143.03339	0.7
151.03955	0.7
151.07640	1.0
151.11186	1.2
153.09131	1.0
153.12788	3.4
155.10678	1.0
161.04504	0.6
165.12787	0.7
167.10730	1.6
169.12323	0.8
179.14383	1.4
181.12311	3.5
193.15944	0.7
197.11845	2.2
199.13333	1.1
207.10399	0.6
207.13895	2.2
209.15521	1.1
211.13277	0.6
215.12834	0.9
226.11998	0.8
227.12920	1.0
235.08119	1.2
247.20731	5.0
253.09261	0.5
263.20279	0.7
265.21701	0.7
273.18610	2.7
274.18848	0.7
277.21802	7.6
281.21268	1.3
287.07883	0.8
291.19730	24.6
292.20087	2.2
309.20770	100.0
310.21161	8.7
336.97256	0.5
397.13596	13.9
398.13956	1.1
415.14554	4.2
602.44562	0.5
752.33545	0.5
790.09625	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	983.5605
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	22.4
71.54188	1.1
72.11523	1.1
72.99201	2.0
73.02848	2.7
75.00796	1.6
78.95789	1.5
83.01271	2.4
83.04901	1.2
85.02839	3.8
87.00786	3.8
89.02334	19.2
95.01295	1.4
95.04922	1.9
96.95921	5.2
97.02843	2.7
99.00793	2.0
101.02345	16.1
111.08083	7.1
113.02351	10.4
116.92772	1.8
119.03416	4.3
125.02409	6.4
141.01863	1.5
143.03418	2.9
149.04553	1.6
151.11302	1.0
153.09128	1.6
161.04480	4.6
167.10739	1.9
171.10219	2.6
177.12759	2.5
179.05591	6.6
179.10838	1.6
186.00151	1.2
195.13867	12.9
198.92145	1.3
209.11765	6.1
221.06657	2.2
223.13338	5.6
235.08238	5.9
247.20566	2.2
249.14796	1.5
256.13345	1.4
265.14615	1.2
275.20120	5.7
277.21878	7.2
287.07922	1.8
289.18106	3.2
291.19727	84.5
292.20261	5.7
293.21286	100.0
294.21671	9.5
305.08664	1.3
307.19199	7.3
309.20837	2.1
325.20306	9.4
379.12628	2.2
397.13596	37.0
398.14011	2.2
415.14655	19.5
673.34619	1.7
687.30865	1.4
689.33636	1.5
705.33282	2.2
735.12701	1.2
849.50806	1.2
965.54889	2.5
983.53851	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	977.5352
Annotation	Unknow
Peak:m/z	Relative Intensity
71.00895	1.1
71.01271	14.4
71.53588	1.1
72.99208	1.6
73.02827	2.3
80.02572	0.8
81.03347	2.1
83.01276	1.2
83.04924	5.6
85.02840	2.6
87.00764	3.2
88.98701	0.7
89.01827	0.8
89.02344	10.6
93.84116	0.5
95.01277	1.0
96.95883	1.1
97.02846	2.6
97.11572	0.5
99.00773	0.8
99.04410	0.7
101.02354	10.0
105.04630	0.6
109.06480	0.7
113.02367	6.2
119.03415	3.2
125.02345	4.1
125.05939	0.7
125.16593	0.6
128.45667	0.7
131.03368	0.8
135.08051	0.7
141.01869	0.6
143.03436	2.0
161.04582	3.5
161.05783	0.8
163.11244	4.9
165.12799	2.5
179.05582	3.7
181.12318	1.3
191.10777	1.5
209.11821	100.0
210.12115	6.1
220.58388	0.6
221.06744	1.6
227.12903	8.8
235.08260	4.2
249.71271	0.7
252.69972	0.6
259.08188	0.6
277.21790	39.6
278.21899	2.7
287.07809	1.1
305.08932	2.5
305.17551	0.8
308.38077	0.6
353.21548	0.6
361.11646	0.7
376.33157	0.6
379.12579	11.3
380.12958	0.7
397.13617	34.7
398.13895	1.7
415.14548	6.4
563.84491	0.7
589.25189	4.6
607.26318	6.4
657.35089	1.6
675.36151	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	977.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99705	0.1
69.03341	0.3
71.01266	16.2
72.01601	0.2
72.99198	0.3
73.02836	1.0
75.00764	0.2
79.95178	0.1
79.95615	4.2
80.96407	15.7
81.96360	0.1
83.01270	0.4
84.02078	0.1
85.02838	4.8
87.00762	2.8
88.01134	0.1
95.01285	1.1
96.95908	12.8
99.00781	0.4
99.77122	0.1
100.98722	0.1
101.02351	0.3
103.00268	2.5
111.00802	0.2
113.02353	9.4
114.02728	0.2
115.00282	13.5
116.00614	0.2
122.97468	0.5
124.14097	0.1
129.01878	0.4
131.03389	0.2
138.97000	3.8
150.96979	0.2
157.01366	1.9
162.97034	0.2
164.98611	0.1
166.95412	0.1
166.96506	2.4
174.97153	0.6
175.02431	25.0
176.02776	0.7
192.98082	4.8
193.98358	0.1
210.99130	0.7
226.09486	0.1
226.98590	0.2
236.97081	0.6
254.98184	100.0
255.98497	3.0
269.04648	0.3
285.04016	0.2
525.03516	4.6
526.03827	0.6
630.24365	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	969.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01277	5.5
71.57072	1.0
72.99187	2.1
73.02818	0.8
75.00764	25.5
80.02562	0.8
83.01301	0.8
83.04907	2.8
84.36620	0.7
85.02816	2.0
87.00777	1.2
89.02350	2.1
96.95908	1.7
99.00774	3.4
100.50453	0.7
101.02335	2.7
109.02851	1.3
113.02338	2.3
116.92788	3.7
117.01804	1.2
118.99794	4.6
121.02914	1.1
133.02843	2.2
134.03598	1.2
135.04439	1.4
145.02943	0.9
146.03656	2.2
147.04436	1.5
148.04228	0.7
148.05212	4.3
151.74702	0.6
158.03650	2.2
159.04497	6.0
160.05223	1.8
161.02341	2.2
161.06006	0.8
163.03984	1.1
163.11214	3.1
165.12778	1.7
171.04472	1.8
171.10248	0.8
172.05247	13.9
173.02457	1.0
173.05972	2.9
174.03178	4.0
174.06592	0.9
175.04012	0.8
175.73141	0.7
182.28319	0.7
183.04471	2.6
185.06024	2.7
186.03209	1.3
186.06844	1.0
187.03970	4.8
188.04678	2.5
191.03412	1.6
196.05231	0.9
197.06027	2.4
198.02861	0.8
198.06760	1.9
199.03996	20.5
199.07620	1.0
200.04787	6.5
201.05524	2.1
202.06255	2.2
204.04294	4.0
209.09897	1.5
209.11804	21.9
210.12071	1.4
211.03958	4.4
212.04771	0.8
213.05518	1.3
214.02803	0.9
214.06326	1.6
224.04721	1.3
226.02650	0.8
227.03502	51.3
227.12764	0.9
228.04257	21.9
229.04788	1.5
232.03665	1.2
242.05881	1.1
253.15851	0.8
255.13898	1.6
257.15439	1.2
265.12619	1.5
269.11676	0.9
281.15561	3.6
283.13470	73.0
284.13821	5.2
285.14880	1.1
301.14526	12.3
307.13281	0.8
309.15015	27.0
310.15457	3.5
311.12991	16.0
311.16449	1.0
312.13297	1.3
313.14447	3.8
325.14438	5.4
327.12387	11.9
327.16089	14.5
328.12671	1.2
328.16406	2.0
329.13998	5.5
331.15790	1.1
335.13022	1.2
341.13776	0.9
343.15540	1.5
345.13373	1.9
345.17175	2.0
353.14011	48.2
354.14362	3.4
367.15250	1.0
371.15024	11.4
445.18918	1.3
537.24097	0.9
563.21265	1.0
565.22949	1.1
581.22089	1.1
589.23260	1.6
607.23987	6.5
661.62836	1.0
773.34192	11.5
774.34839	1.8
775.35577	6.3
776.36273	1.7
777.36975	1.7
791.37354	2.8
799.35449	4.5
817.36700	100.0
818.37067	20.2
831.37781	2.6
835.38037	7.5
836.38348	1.6
849.38965	19.2
850.39270	4.9
867.40283	3.1
875.37103	13.7
876.37909	2.7
881.38300	1.1
893.38324	29.1
894.38629	5.8
907.39990	4.6
908.40015	1.2
925.41089	17.8
926.40741	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	967.5655
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03351	0.6
69.56609	1.1
71.01267	7.4
72.99200	0.8
73.02829	1.1
75.00766	0.3
76.06861	0.2
80.96406	0.1
81.03335	0.4
83.01266	0.8
83.04910	0.3
85.02847	1.7
87.00767	1.7
89.02333	6.3
95.01280	0.5
95.04903	0.3
96.95906	0.4
97.02866	1.1
98.19804	0.3
99.00772	0.5
101.02344	5.8
101.03017	0.3
107.74033	0.1
111.04435	0.2
111.08058	0.3
113.01631	0.2
113.02354	2.9
113.09616	0.4
118.76250	0.1
119.03411	1.5
121.02848	0.1
122.23557	0.1
125.02369	1.9
131.03433	0.4
133.04997	0.2
139.03900	0.2
141.01814	0.2
143.03418	1.1
149.04433	0.3
161.04514	1.2
167.03380	0.2
167.10698	0.5
171.10199	0.4
177.12785	0.3
179.05553	1.7
179.14421	0.8
195.13875	7.6
196.14334	0.6
197.15408	0.2
205.12328	0.7
205.15991	0.4
209.11833	0.5
211.13333	0.5
217.07172	0.2
221.06670	0.8
223.13394	5.7
224.13943	0.4
225.14937	0.3
228.13657	1.1
231.21202	0.4
235.08215	1.9
239.12880	0.2
249.22284	0.2
253.09332	0.7
256.13220	1.3
263.07831	0.2
265.21741	0.5
275.20206	5.2
276.20630	0.3
277.21603	0.2
287.07785	0.5
291.19702	0.2
293.21277	100.0
294.21619	7.5
305.08832	0.6
309.20938	0.3
317.21231	0.4
323.09842	0.6
379.12729	0.9
383.70792	0.2
390.27087	0.1
397.13577	16.4
398.13968	0.9
415.14630	10.2
416.14993	0.6
552.65863	0.2
569.42218	1.7
570.42175	0.3
636.26776	0.3
654.27496	0.2
670.47870	0.2
673.34650	1.3
674.35547	0.3
691.35449	3.3
692.35974	0.5
777.42242	0.2
930.47961	0.2
967.55884	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	963.6881
Annotation	Unknow
Peak:m/z	Relative Intensity
70.47367	0.2
71.01263	0.4
74.97959	0.2
75.00751	0.2
80.04930	0.3
81.03346	6.9
81.03837	0.4
82.03688	0.2
83.04913	15.6
84.05242	0.4
85.02814	0.2
88.44258	0.2
89.02331	0.2
96.95918	0.3
100.07558	0.3
101.02325	0.2
107.04910	0.2
107.06074	0.3
108.02076	1.7
108.04435	0.6
109.02908	0.2
110.81900	0.2
113.02362	0.4
121.02878	0.3
125.07130	0.9
126.05561	0.4
130.72345	0.2
135.04456	0.3
143.08208	0.6
143.70737	0.2
145.02882	0.2
152.01094	2.7
163.03981	0.4
169.14915	0.2
191.03511	1.0
192.04118	0.2
199.18135	0.3
207.15038	1.4
220.89261	0.2
224.17690	2.7
225.16081	11.0
242.18739	0.8
250.15590	0.2
250.41895	0.2
266.27890	0.2
268.16745	0.3
269.04675	0.2
285.04022	0.4
289.10846	0.4
309.21869	1.3
324.26611	0.6
333.22913	0.7
341.29297	1.1
350.24548	0.2
350.97870	0.2
351.24023	0.3
367.27362	0.9
371.24585	0.2
372.32816	0.2
385.28290	0.4
407.34189	0.3
433.31750	1.1
450.34610	0.9
451.32965	9.5
452.33359	1.2
550.43848	0.6
567.46118	0.6
568.45801	0.2
593.44080	0.3
639.85498	0.2
659.48456	0.6
676.50775	0.4
677.49988	1.9
678.50507	0.6
776.60028	0.5
885.65509	0.7
886.65527	0.3
903.66681	100.0
904.66980	28.5
963.40399	1.5
964.41345	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	955.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99696	0.7
69.42908	5.1
71.01272	5.2
72.99190	1.5
73.02825	0.9
73.66334	0.5
75.00764	2.0
83.01283	3.4
85.02843	7.9
87.00768	2.4
89.02372	0.6
90.67952	0.6
91.01754	0.9
93.03352	0.7
95.01290	3.8
99.00781	3.2
103.00263	1.0
105.03339	0.7
107.01292	7.3
109.02860	8.1
110.00054	0.5
111.00787	5.3
113.02358	6.5
115.00272	0.6
117.01814	0.6
121.02843	1.3
123.00829	1.4
123.04395	0.8
124.01595	0.6
124.98689	0.7
125.02363	9.3
130.04132	0.5
130.92209	0.5
131.04973	0.7
133.02879	12.3
135.00772	2.9
135.04411	2.0
136.98700	1.7
137.02382	4.3
139.00299	14.2
143.04932	1.0
145.02872	1.0
147.00824	1.1
147.04507	0.6
149.02371	6.6
150.79501	0.6
151.00313	20.9
151.01534	1.2
151.03951	1.5
152.01024	1.7
153.01855	6.0
155.04962	0.7
159.04478	1.7
161.02415	2.8
163.00310	14.3
163.03940	0.8
164.00969	1.5
164.98187	2.3
165.01897	7.1
166.99712	2.4
169.01369	1.5
171.04430	2.1
173.06020	1.1
174.03175	0.5
175.02403	2.3
175.03960	4.2
176.04199	0.6
177.01883	5.2
178.99817	6.8
181.01384	12.7
182.01826	1.2
183.04457	1.3
185.02359	0.7
185.06108	1.0
187.03963	2.2
189.01859	1.3
189.05531	1.1
190.02542	0.7
190.99831	4.7
191.03423	2.1
192.00557	0.8
193.01369	3.8
198.03105	0.6
199.03993	5.7
200.04594	0.6
201.01974	3.6
201.05525	2.0
202.02464	0.7
203.03513	4.7
205.05006	0.6
206.99332	4.5
207.02861	0.9
208.00063	1.7
209.00839	0.9
211.04024	2.1
213.01881	0.9
214.02655	0.5
215.03465	2.2
217.01395	1.2
217.05019	3.4
219.02951	1.5
227.03503	6.3
229.01381	0.8
229.05052	2.8
230.02257	1.7
231.02998	4.8
233.04539	1.2
237.02000	0.6
239.03491	0.8
241.05119	0.6
242.02206	1.4
243.02953	7.4
244.03343	0.8
245.04512	6.5
255.03041	10.1
256.03394	1.4
257.00897	0.6
257.04636	1.6
258.01669	0.8
259.02521	1.2
261.04108	0.6
268.11438	0.5
270.99747	1.0
271.02524	12.7
271.05414	0.7
272.02997	1.5
273.04080	9.7
274.04651	0.7
283.02551	6.0
284.03275	4.1
285.04099	100.0
286.04434	7.9
289.03632	5.2
297.04050	1.0
299.02002	21.4
299.05359	1.2
300.02557	4.8
301.03592	70.1
302.03986	4.4
316.02185	1.5
317.03067	87.9
318.03458	6.2
319.04462	1.0
327.05170	1.1
343.04745	1.0
357.04926	1.5
359.03998	1.0
369.05011	0.5
389.05209	0.6
449.07138	0.6
456.15088	0.5
459.05737	2.4
460.06836	1.0
461.07358	57.3
462.07764	6.2
475.05164	6.1
476.05884	2.3
477.06815	40.8
478.07217	4.8
492.05502	1.7
493.06329	79.4
494.06631	8.1
495.07629	0.9
718.28979	0.6
794.40082	0.6
949.50549	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	953.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
69.26843	30.2
71.01265	6.7
73.02853	2.8
73.21941	3.2
78.95808	5.1
83.04904	4.2
89.02353	9.6
96.95904	6.4
101.02322	10.0
113.02382	6.2
116.92772	8.5
119.03431	5.9
125.02324	5.6
179.05598	4.9
193.55971	3.7
209.11812	100.0
210.12151	6.2
227.12921	12.1
235.08186	4.3
277.21777	36.0
354.04700	4.2
379.12546	16.5
397.13589	41.2
415.14755	6.5
589.25153	12.9
607.26355	11.5
657.34998	6.3
675.35742	6.8
867.47931	7.0
953.49017	36.8
954.49756	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	948.4814
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01272	21.0
71.57220	3.3
77.36469	3.4
83.04939	6.4
85.02850	5.8
87.00774	4.5
89.02331	11.9
96.95921	6.7
101.02357	13.2
102.33984	3.7
113.02361	6.3
125.02375	7.6
152.55168	3.8
163.11246	4.5
171.10231	3.7
191.10921	3.5
209.11815	100.0
210.12132	38.4
211.12352	8.3
227.12947	12.8
228.13339	3.9
277.21811	20.1
278.22247	17.0
279.22461	8.0
293.21387	8.2
369.90045	4.0
379.12402	4.8
397.13712	20.5
398.13925	13.7
399.14215	10.2
417.14975	7.8
678.90027	4.0
720.72479	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	948.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01250	27.0
71.57096	6.1
83.04931	5.6
83.20338	4.7
89.02335	15.1
89.22066	5.6
96.95893	7.2
101.02337	14.4
106.24506	4.5
113.02367	8.6
119.03355	6.2
125.02354	11.5
163.11177	5.5
171.10231	4.7
171.96736	5.0
201.91637	5.9
209.11806	100.0
210.12181	27.2
211.12419	5.9
227.12868	14.4
235.08165	4.7
253.09178	6.3
255.23380	27.5
256.23737	7.6
277.21774	20.7
278.22125	9.9
279.22375	6.4
291.19629	9.6
293.21359	20.3
294.21799	9.9
397.13681	43.6
398.13916	24.5
399.13730	8.3
415.14648	13.6
467.92667	6.2
653.37683	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	948.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
65.99726	0.7
70.92806	0.8
71.01268	3.6
72.01606	0.3
72.99203	1.7
73.02835	0.5
75.00745	1.5
83.01278	1.6
85.02839	7.2
85.79359	0.3
87.00760	2.0
89.02348	0.5
93.03377	0.6
95.01291	2.4
99.00770	2.6
101.02329	0.5
103.00265	1.5
107.01295	3.3
109.02847	1.3
111.00826	0.5
113.02355	10.7
115.00285	0.8
117.01849	0.9
117.03378	3.1
119.04944	0.5
122.02379	0.7
123.00794	1.1
124.01588	0.5
125.02364	5.5
126.02787	0.4
129.01852	0.9
131.03545	0.3
133.02879	1.3
134.84845	0.3
135.00813	0.3
137.02364	8.0
139.00243	0.3
145.02895	0.3
145.06473	0.4
146.02409	0.4
147.04414	0.5
149.02367	1.2
151.00308	10.1
151.01529	0.6
152.01025	0.6
153.01869	0.5
156.04506	0.8
159.04500	0.4
161.02377	1.7
163.00343	0.7
164.03479	14.3
165.01851	0.6
165.03828	0.6
169.01335	0.5
169.06554	0.3
171.04488	0.6
174.05608	1.4
175.02467	4.6
175.03949	0.8
177.01851	2.3
178.99785	1.0
179.03502	0.5
185.06021	0.6
187.03969	0.7
188.03540	0.5
189.01866	0.3
189.05510	0.4
190.01405	0.4
193.01413	1.3
193.03508	3.7
197.06143	0.4
199.04044	0.8
200.03548	0.6
201.05714	0.3
202.02669	0.8
203.03400	0.6
205.01437	0.9
206.04579	1.6
211.04100	0.5
211.07732	0.3
213.05565	1.2
215.03581	0.5
225.05640	0.5
227.03735	0.3
227.07091	0.7
229.01373	0.5
229.05084	1.0
232.02562	1.2
232.04639	0.4
237.05690	0.4
240.04266	0.9
240.06516	0.5
241.05093	3.9
242.05818	0.7
243.03001	1.0
253.05139	4.1
254.05490	0.3
255.06625	0.5
256.03775	0.4
256.06226	1.1
257.04535	3.5
258.05313	0.7
259.06174	1.1
268.03802	7.4
268.06598	0.4
269.04575	16.5
270.04999	2.3
271.03018	0.4
271.06216	2.8
281.04605	12.9
282.04788	1.1
282.07800	0.8
283.05740	0.4
284.03015	0.5
284.05725	3.2
285.04086	28.9
286.04596	4.2
298.07242	6.3
299.05624	1.0
308.05704	44.6
309.06033	3.9
324.05231	0.5
325.05530	0.5
326.06750	100.0
327.07147	9.5
340.06949	0.5
350.06863	0.5
368.07877	1.1
382.07629	0.9
398.08801	0.4
422.08862	0.3
432.09351	0.4
445.07803	2.3
446.08249	0.5
461.07446	3.3
462.07779	0.7
474.10110	0.5
484.08920	12.4
485.09167	1.8
502.10010	49.4
503.10367	7.1
658.25128	0.3
951.44238	0.4
961.08362	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01271	33.0
71.56999	6.8
71.57342	6.4
76.70860	5.5
83.04906	9.0
85.02839	7.3
89.02322	23.9
97.02834	12.3
101.02325	24.4
106.82420	6.9
109.06477	31.3
110.06809	13.2
113.02360	15.3
116.92805	12.0
118.71230	5.1
125.02362	10.7
161.04410	8.2
163.11189	26.5
164.11523	11.4
197.11676	6.4
207.10236	79.8
208.10570	55.3
209.11708	27.6
210.12213	8.4
225.11362	37.4
226.11659	19.3
227.11879	10.2
235.08299	11.9
277.21707	48.4
278.22110	38.8
279.22385	8.9
287.16602	8.8
288.07922	6.4
352.66812	5.6
379.12573	8.8
397.13541	40.7
398.13992	27.8
399.14081	30.2
415.14557	12.8
416.14755	7.0
536.96820	6.0
607.25177	11.8
626.26965	8.0
662.59778	6.6
702.81812	6.2
719.50116	7.0
885.47296	23.6
886.48010	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	946.4658
Annotation	Unknow
Peak:m/z	Relative Intensity
66.42588	8.3
71.01286	44.0
71.01611	9.2
85.02835	15.4
87.00768	11.1
89.02336	37.9
95.01291	9.5
97.02888	9.6
99.37946	8.6
101.02341	29.8
109.06481	34.1
110.06832	13.6
113.02346	12.1
116.92757	35.7
119.03407	13.6
124.91171	8.8
125.02357	12.8
135.08154	7.8
140.99500	7.4
147.39362	7.6
147.74390	7.4
161.37984	8.4
163.11191	18.8
164.11554	10.9
167.50883	8.4
179.05623	10.3
207.10304	83.0
208.10599	50.8
209.11897	22.5
225.11320	31.4
226.11719	19.5
277.21774	78.5
278.22192	61.8
279.22519	14.0
345.79846	7.5
397.13855	42.0
398.13785	34.6
399.13931	25.0
400.14328	10.6
416.15067	10.0
417.14917	9.7
678.37354	11.4
870.34039	9.3
885.47876	13.3
886.47900	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	943.4932
Annotation	Unknow
Peak:m/z	Relative Intensity
65.53747	0.5
68.59266	0.5
69.03338	1.5
70.62494	1.4
70.62835	0.5
71.01270	26.2
72.99197	2.3
73.02834	2.7
75.00772	0.7
80.02570	0.8
81.03353	3.4
83.01274	2.9
83.04908	2.9
84.02107	0.5
85.02850	6.9
87.00770	6.2
89.02336	17.0
93.03370	0.6
95.01262	2.6
97.02850	11.4
99.00781	3.7
101.02347	18.5
106.04133	0.6
107.04933	0.6
109.02905	0.6
109.06499	28.9
110.03619	1.2
111.00791	1.0
111.04417	0.9
112.01623	0.5
113.02354	10.2
115.34280	0.5
119.03442	4.4
121.06504	1.9
123.04446	0.8
124.01604	0.6
125.02360	8.3
125.09666	0.7
129.01869	0.6
129.57918	0.6
131.03441	1.0
135.08089	4.5
136.05206	2.7
139.03931	0.7
141.01836	1.2
142.02682	3.0
143.03438	3.6
161.04515	4.6
161.09689	2.1
163.11235	17.8
164.11526	0.7
165.09163	0.5
167.03503	0.9
179.05569	5.3
179.10753	0.8
180.41190	0.5
181.12288	3.6
189.09210	3.3
207.10252	100.0
208.10583	5.5
209.11810	2.2
217.07236	0.9
221.06621	2.4
225.11325	38.3
226.11621	2.0
235.08281	6.4
243.12486	1.5
253.09341	1.0
255.23338	1.0
277.21777	70.4
278.22147	5.4
287.07736	1.6
299.15063	1.5
305.08804	1.8
323.09860	1.6
379.12628	7.5
380.12863	0.8
397.13586	57.4
398.13766	4.3
415.14685	14.4
416.15250	1.1
587.23969	2.7
592.20374	0.6
605.24579	8.0
606.25006	1.0
623.25732	5.0
657.34729	1.4
675.36200	3.9
865.45477	2.7
866.46765	0.7
867.44177	0.8
883.47168	67.2
884.47498	16.0
978.68768	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4934
Annotation	Unknow
Peak:m/z	Relative Intensity
65.36505	0.6
69.03342	2.0
69.38698	5.0
69.39105	1.0
71.01270	16.0
71.04904	1.5
72.99199	1.2
73.02827	2.7
75.00754	2.1
77.65774	0.7
81.03346	1.7
83.01269	2.0
83.04914	1.3
85.02821	4.6
87.00777	5.8
89.02335	8.8
95.01273	1.4
95.04950	0.8
97.02853	10.0
97.06480	2.2
99.00778	17.9
101.02351	10.8
109.06477	3.6
110.03611	1.6
111.04422	0.7
113.02359	6.5
116.79073	0.7
119.03410	2.4
121.25806	0.6
123.08038	1.1
125.02375	8.6
125.09630	6.0
125.51409	0.6
127.94488	1.0
135.08083	1.0
136.05234	1.7
142.02649	1.8
143.03432	1.5
145.10248	0.7
160.63280	0.8
161.04474	2.4
161.09523	1.0
163.09984	1.0
163.11229	9.6
179.05557	1.5
181.12302	17.7
182.12610	1.2
197.11790	0.9
199.13411	3.5
207.10251	57.5
208.10648	3.3
209.11739	1.5
221.52289	0.8
223.13359	1.3
225.11324	84.7
226.11673	5.2
234.09326	0.7
235.08186	2.7
243.12405	29.3
244.12756	2.2
263.07724	1.5
275.20453	0.7
277.21783	50.1
278.22144	3.8
299.14908	0.8
317.16113	3.5
326.06396	0.7
379.12231	2.4
397.13611	8.8
398.13898	1.2
415.14453	2.2
461.20251	1.0
577.37360	0.8
605.24652	28.4
606.24963	3.2
623.25677	27.6
624.26306	3.5
883.47137	100.0
884.47424	25.4
888.60895	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	941.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03318	2.8
70.64510	1.4
70.64852	1.1
71.00899	1.5
71.01270	20.2
71.04914	1.0
72.99187	1.9
73.02837	1.9
81.03342	1.3
83.01283	2.6
85.02840	4.5
85.47749	0.8
87.00776	4.9
89.02337	15.2
93.03311	1.0
95.01305	0.9
97.02853	2.8
99.00779	1.2
101.01794	1.2
101.02355	13.8
109.06478	1.3
113.02358	9.8
116.92741	2.8
119.03428	4.3
125.02371	6.9
141.01810	1.2
143.03421	2.8
161.04529	4.1
167.10704	3.1
179.05640	4.1
179.10724	0.9
179.14380	3.5
180.84682	0.8
195.13882	12.8
198.75032	0.8
205.12360	9.7
209.11775	1.6
221.06670	2.2
223.13400	100.0
224.13763	6.8
235.08203	6.3
277.21771	57.6
277.24908	1.4
278.22171	6.5
287.07980	1.0
305.08832	1.8
323.09970	2.0
379.12552	10.2
380.12766	0.9
397.13577	50.1
398.13919	3.5
415.14594	9.3
603.26727	18.7
604.26727	1.8
621.27808	18.5
622.28180	3.1
657.35248	2.7
675.36615	4.0
881.49670	6.1
882.49213	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	941.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01776	0.2
68.99686	0.4
71.01270	4.8
71.30090	0.1
71.55948	0.2
71.56310	0.2
72.33746	0.1
72.99205	1.1
73.02843	0.6
73.29735	0.1
75.00764	2.6
77.54208	0.2
83.01289	0.6
84.02075	0.2
85.02846	12.5
85.46769	0.1
86.03189	0.3
87.00771	1.7
89.02360	1.0
95.01288	3.7
99.00778	3.8
100.01168	0.2
101.02402	0.2
103.00275	1.7
107.01291	1.4
107.51037	0.2
111.00803	0.5
113.02359	23.6
114.02719	0.7
115.00279	1.0
117.01891	1.3
117.03362	2.8
117.05879	0.1
121.02852	0.5
125.02364	0.6
129.01862	0.8
133.01387	0.2
133.02892	0.2
135.04460	0.2
137.02365	0.2
137.63206	0.1
139.00310	0.4
140.01079	0.2
140.63551	0.2
149.02386	1.7
151.00311	1.9
153.01868	0.2
157.01358	0.4
157.06532	0.3
158.03734	0.1
159.04475	1.0
161.02415	0.5
165.01967	0.4
169.01466	0.3
169.06575	0.5
175.02443	11.7
176.02837	0.3
178.99777	0.3
181.01393	0.4
181.06557	0.3
182.03506	0.2
183.04510	0.7
193.01425	0.2
196.05255	0.3
197.06075	0.5
199.04031	0.3
201.05531	0.5
203.03378	0.2
213.05399	0.2
225.05583	1.4
227.03543	0.6
255.03104	0.5
257.04507	0.4
268.03796	0.3
269.04608	100.0
270.04935	7.3
273.04120	0.3
283.02512	0.6
284.03287	0.6
285.04102	3.9
286.04489	0.4
301.03568	2.4
302.04007	0.2
319.04636	0.4
388.99945	0.2
396.40878	0.1
445.07858	37.6
446.02222	0.3
446.08206	4.1
461.07401	1.2
462.07809	0.3
477.06909	0.2
478.07669	0.2
489.02762	0.2
495.07928	0.5
772.62415	0.2
935.06952	0.2
957.68658	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	941.1634
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01769	0.9
68.99695	0.8
71.01272	5.3
72.76295	0.5
72.99185	2.8
73.02827	0.7
75.00750	2.0
77.80204	0.5
83.01274	3.6
85.02850	8.9
87.00748	1.8
88.25911	0.6
88.78672	0.5
89.02358	0.8
93.03365	1.4
95.01282	6.0
97.02840	1.1
99.00766	4.7
99.40952	0.6
101.02335	1.0
103.00259	1.9
103.67761	0.5
107.01289	6.6
108.02135	0.8
109.02877	2.8
111.00791	3.5
113.02359	16.3
117.01840	0.8
117.03368	3.0
119.04889	0.8
121.02876	6.3
123.00771	1.0
123.04409	0.6
124.01537	0.6
125.02371	17.6
126.02726	1.3
133.02858	4.1
135.00787	1.4
135.04427	0.9
137.02374	4.3
139.00348	4.8
140.01088	2.7
141.01900	3.4
143.05000	0.9
145.02910	1.1
147.00795	0.7
147.04442	1.3
149.02394	14.2
149.05971	0.7
149.99573	1.6
150.02719	1.1
151.00308	24.8
152.00920	1.8
153.01884	6.9
157.01474	0.9
157.02945	0.6
157.06516	1.1
158.03398	0.6
159.04478	2.9
161.02409	1.8
163.00333	3.3
165.01884	8.8
166.99818	1.6
169.01393	7.7
171.04498	1.4
173.06117	0.7
174.03178	0.7
175.00404	0.6
175.00838	0.7
175.02423	5.5
175.03975	1.9
177.01891	2.7
178.99825	9.4
180.00310	0.8
181.01392	13.4
182.02129	2.5
183.02928	3.0
183.04398	1.2
185.06039	2.3
187.03981	1.9
189.01968	0.8
189.05620	0.6
191.03450	2.0
192.00620	1.0
193.01385	10.0
193.03453	3.3
194.01907	0.8
199.02399	1.3
199.04015	1.6
201.05539	2.1
203.03484	1.6
205.01389	0.7
205.05072	1.2
206.99231	1.5
207.02904	0.6
208.00095	0.8
209.00934	5.2
211.04053	2.4
213.05569	2.0
215.03444	2.7
217.01460	1.4
217.05023	4.0
219.03033	1.1
227.03548	2.7
229.01450	0.7
229.05005	3.3
231.03003	4.2
233.04623	2.0
239.03436	1.9
240.03987	0.7
241.05107	0.9
243.03043	3.3
245.04515	4.5
255.03044	15.4
256.03644	1.9
257.04590	12.2
258.01755	0.8
258.04819	0.7
259.02438	1.4
268.03815	1.4
269.04599	18.6
270.04843	2.6
272.03293	0.8
273.04102	9.2
274.04462	0.7
275.05664	2.8
283.02557	18.2
284.03311	16.7
285.04114	100.0
286.04471	9.1
287.05075	0.7
297.04071	2.8
299.05426	1.4
300.05621	0.9
301.03607	75.2
302.04025	7.6
303.05090	2.9
313.03799	0.7
317.03006	1.4
317.06583	1.5
318.03595	0.7
318.07047	0.9
319.04626	13.2
320.05411	1.7
327.05191	2.0
331.97650	0.6
343.04691	1.1
345.04681	2.1
357.04688	5.2
358.05392	3.1
375.05652	0.8
385.04172	1.7
390.04843	1.1
399.07288	1.2
445.07721	4.4
446.08258	0.9
460.06653	2.5
461.07321	31.7
462.01859	0.6
462.07651	3.8
477.06943	7.9
478.07547	9.2
479.08130	3.2
495.07880	16.6
496.08527	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	939.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00205	1.6
67.01756	0.3
68.99704	0.2
69.37360	0.9
69.37772	0.3
71.01271	3.1
72.99181	0.5
73.02829	0.2
75.00768	1.0
82.98999	0.1
83.01270	0.8
85.02351	0.2
85.02848	4.1
87.00763	1.2
89.02328	0.5
93.03364	0.2
95.01282	1.6
96.99249	0.2
98.19827	0.2
99.00156	0.2
99.00777	1.8
103.00266	0.4
103.88731	0.1
105.03419	0.1
107.00550	0.2
107.01294	2.8
109.02863	1.2
111.00769	0.7
113.01635	0.2
113.02359	3.3
115.00259	0.5
117.01829	0.4
119.01231	0.1
121.02863	1.1
123.00779	0.5
125.02368	1.1
129.01883	0.3
133.02873	7.5
134.03214	0.4
135.04443	2.5
136.98730	0.8
137.02371	1.5
139.00313	1.4
143.04951	0.2
145.02975	0.1
147.00746	0.3
147.04457	0.4
148.01646	0.2
149.02380	5.4
150.02679	0.2
151.00307	7.9
152.00667	0.3
157.06508	0.2
158.38693	0.1
159.04480	0.3
161.02449	0.2
163.00377	0.6
163.03934	0.2
164.98227	0.9
165.01892	1.6
165.98981	0.3
166.02234	0.2
166.99843	1.2
167.04968	0.2
169.01378	0.3
171.04454	0.4
173.06023	0.6
175.00323	0.4
175.02415	0.7
175.03949	2.0
176.04378	0.2
177.01923	0.3
178.99789	0.5
183.04465	0.5
185.02393	0.2
185.06044	0.6
187.03932	0.5
189.01923	0.1
189.05490	0.6
190.99821	0.3
191.03456	1.0
192.00638	0.7
193.01292	0.2
198.03163	0.3
199.03986	2.0
200.04477	0.2
201.01956	0.8
201.05571	1.3
203.03407	0.3
211.03943	1.1
212.04677	0.3
213.05447	0.8
214.02634	0.2
215.03528	1.3
216.04002	0.1
217.05023	1.0
223.04012	0.3
226.02766	0.2
227.03526	0.9
228.04099	0.3
229.05074	1.2
231.02998	0.3
233.04622	0.6
237.01967	0.2
239.03336	0.7
240.04131	0.2
241.01489	0.2
241.05113	0.8
242.02136	0.2
243.03062	0.8
245.04469	0.5
255.03040	4.9
256.03418	0.6
257.04587	2.0
259.02563	0.4
267.02887	0.3
271.02631	0.6
272.03027	0.4
273.04056	0.7
283.02551	4.0
284.03345	0.9
285.04102	76.6
286.04456	6.4
287.04553	0.5
297.03976	0.4
299.02316	0.7
299.05185	0.2
300.02759	2.6
301.03583	100.0
302.03937	7.0
310.67703	0.1
313.03558	0.3
327.05219	1.1
343.04575	1.4
355.04428	0.3
357.06284	0.6
369.06491	0.2
371.04004	0.3
373.05539	0.8
381.06281	0.3
385.05640	0.3
397.06198	0.2
415.06641	0.3
433.07983	0.3
459.05774	1.0
461.07358	44.7
462.00980	0.3
462.07700	5.1
463.07755	0.6
476.06036	1.1
477.06839	59.7
478.07120	5.2
849.50641	0.2
882.39478	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	933.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	2.0
71.01274	15.7
71.04917	1.2
72.99194	2.0
73.02835	2.8
73.25325	0.7
75.00730	0.6
80.02569	1.8
81.03354	2.1
83.01279	1.7
83.04912	6.1
84.02059	1.3
85.02846	4.5
87.00786	3.7
89.02343	12.0
95.01289	1.7
95.04922	1.3
96.95910	6.8
97.02856	2.8
97.05575	0.7
97.06464	1.2
99.00804	1.8
101.02354	11.2
109.02888	0.7
109.06480	4.4
112.30030	0.7
113.02357	6.9
119.03442	2.2
123.04470	0.8
125.02386	3.7
125.09622	3.0
127.07569	2.6
131.50616	0.7
135.08058	1.9
139.07600	0.9
143.03426	1.5
153.09148	6.4
155.10730	1.0
161.04509	2.6
163.11263	7.3
165.12675	3.5
171.10237	13.6
178.09982	1.9
179.05537	4.9
181.12267	1.2
181.87090	0.7
185.11804	2.8
191.10765	2.0
197.11861	6.1
201.11243	1.2
207.10205	4.0
209.11818	100.0
210.12161	5.3
211.13367	3.9
221.06667	1.9
221.11760	1.1
225.11363	3.3
227.12874	11.9
228.13332	1.1
229.14375	1.0
235.08301	4.8
235.13358	1.1
237.14931	0.9
245.19211	1.3
253.09166	0.9
289.18140	7.2
297.20624	1.0
305.08929	1.2
307.19214	35.8
308.19467	2.0
309.20712	2.1
323.09705	1.5
325.20251	34.4
326.20593	2.3
327.21799	6.8
345.20532	1.1
347.37131	0.7
379.12485	2.6
397.13602	28.9
398.13995	2.5
415.14648	8.2
416.15057	1.3
551.23682	1.0
607.26215	2.9
608.57544	0.7
658.73157	0.8
687.32483	4.0
705.33545	7.2
706.33453	1.5
723.35333	1.3
828.38196	1.0
846.38593	1.3
897.44873	6.1
898.45337	1.8
915.46356	6.9
933.47107	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	926.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01267	43.7
77.12087	15.9
85.10766	19.4
97.73322	14.7
98.20579	32.8
101.02339	29.1
101.38159	19.6
113.02396	15.3
145.73752	17.7
209.11819	100.0
210.12151	70.6
211.12370	23.0
227.12688	21.6
238.91481	17.9
255.23332	57.4
256.23639	33.7
358.84146	18.9
397.13461	21.7
398.14130	27.8
399.13797	23.9
953.96002	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	923.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03338	0.9
71.01270	11.6
71.56478	0.7
72.27511	0.5
72.99184	1.2
73.02833	1.7
80.02536	0.7
80.96445	0.6
81.03336	1.6
83.01266	1.9
83.04910	3.2
84.02087	0.7
85.02849	3.0
87.00778	2.0
89.02340	8.7
95.01279	1.3
95.04928	0.9
95.16908	0.5
96.95895	1.9
97.02850	2.2
99.00775	0.9
101.02349	10.0
109.06468	0.9
113.02366	5.8
119.03417	2.7
125.02350	5.0
143.03407	1.5
161.04498	3.3
163.11227	3.9
165.12804	1.8
179.05560	3.6
191.10748	1.4
199.06091	0.6
209.11813	100.0
210.12166	4.8
217.07213	0.8
221.06744	1.7
227.12912	10.4
228.13205	0.8
235.08281	4.2
255.23331	39.6
256.23700	2.2
287.07864	2.6
287.79028	0.6
305.08743	1.7
323.09702	0.9
379.12543	11.7
380.12924	1.2
397.13583	33.9
398.13898	2.0
415.14706	6.7
589.25146	4.0
590.24921	0.7
607.25781	4.4
653.37866	1.6
904.66974	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	923.155
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00198	2.4
67.01767	0.8
68.99694	0.6
69.03322	0.2
69.41557	1.2
69.41983	0.7
71.01266	4.8
72.94758	0.2
72.99199	1.4
73.02835	0.7
75.00761	2.0
81.03357	0.3
83.01276	2.3
85.02841	9.2
87.00781	1.8
88.16859	0.2
89.02331	0.8
91.01809	0.3
93.03355	1.7
95.01286	4.4
98.19895	0.3
99.00777	3.4
101.02332	0.4
103.00261	1.6
105.03381	0.4
107.01289	3.5
107.04964	0.2
109.02877	1.5
109.99984	0.2
111.00790	6.1
113.02354	17.6
114.02707	0.4
115.00285	0.6
117.01863	0.8
117.03369	4.5
119.01294	0.3
119.04948	0.6
121.02884	1.2
123.00800	0.7
124.01594	0.3
125.02369	3.2
128.81947	0.2
129.01869	1.1
129.99821	0.2
131.04965	0.4
133.02869	2.2
135.00801	0.9
135.04454	1.2
136.98758	0.8
137.02333	1.6
139.00296	11.8
140.01004	0.3
141.01889	0.2
143.04936	1.1
145.02863	1.2
145.06499	0.2
147.04411	0.6
148.01579	0.3
149.02373	4.7
149.05911	0.2
151.00307	9.0
152.01035	0.8
153.01881	2.6
156.05707	0.3
157.01375	0.4
157.06519	0.9
159.04478	2.1
161.02399	1.7
161.06087	0.3
163.00340	2.0
163.03880	0.5
164.01073	0.7
164.98224	0.3
165.01848	0.9
166.99792	0.5
167.04967	0.5
169.01364	0.4
169.06520	0.5
171.04440	1.0
172.05176	0.3
173.06039	0.7
175.02452	9.9
175.03894	0.6
176.01224	0.2
176.02739	0.3
177.01881	1.1
177.05382	0.2
178.99849	1.6
181.01381	8.3
181.06583	0.3
182.01807	0.4
183.04483	1.6
184.71986	0.2
185.02464	0.4
185.06024	1.8
187.03981	2.2
189.01901	0.7
189.05528	0.7
190.02617	0.3
191.03410	1.1
192.00607	0.8
193.01399	4.2
193.03488	1.3
195.04460	0.4
197.06003	0.5
198.03244	0.3
199.03947	1.2
201.01872	0.7
201.05586	1.8
201.26030	0.2
203.03473	0.8
206.99330	0.6
208.00139	1.4
211.03934	1.9
213.01921	0.3
213.05556	2.0
214.02629	0.3
215.03523	2.4
216.04291	0.3
217.01370	1.4
217.05069	0.8
225.05542	0.5
227.03542	1.8
227.07103	0.4
228.07425	0.3
229.01472	0.2
229.05045	2.8
230.02231	0.3
231.02975	2.1
233.04593	0.9
239.03499	2.1
240.04219	0.4
241.05052	0.5
243.03030	2.1
244.03754	0.2
245.02327	0.3
245.04536	2.0
246.04951	0.3
255.03012	13.0
256.03433	1.1
257.04608	7.6
258.01837	0.4
258.05017	0.4
259.02438	0.6
259.31857	0.2
260.08908	0.3
267.02927	0.4
268.03836	8.2
268.06723	0.5
269.04596	35.7
270.04947	3.0
271.02588	0.4
272.03247	0.8
273.04095	4.6
281.04620	1.7
282.04935	0.3
283.02548	9.9
284.03226	3.5
285.04099	40.3
286.04453	3.2
297.04175	0.6
299.02185	0.3
300.02695	0.9
301.03586	100.0
302.03928	7.1
303.05066	0.5
311.05728	0.3
315.03796	0.7
327.05112	0.3
343.04517	1.4
355.04510	0.3
357.04663	2.3
369.04712	0.3
373.05627	1.0
383.07657	0.3
415.06738	0.3
433.08182	0.3
444.06995	1.4
445.07867	14.3
446.08121	1.9
459.05621	0.5
461.07352	17.6
462.07785	1.6
476.05646	0.4
477.06830	48.6
478.07169	5.3
479.08859	0.2
505.20728	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	921.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
64.99932	0.2
65.00224	0.4
71.00890	0.3
71.01267	2.5
71.56088	0.2
71.56493	0.3
73.02843	0.9
75.00735	0.2
76.08742	0.2
83.01281	0.6
85.02839	0.8
87.00761	0.3
89.02348	1.4
91.13401	0.2
95.01289	0.3
99.71686	0.2
101.02346	2.0
107.01296	1.0
113.02363	1.1
113.04544	0.2
119.03429	0.5
121.02857	0.3
133.02879	1.9
134.03665	0.4
140.83600	0.2
143.03456	0.3
149.02374	0.8
151.00325	1.8
152.44193	0.2
155.43578	0.2
159.02922	0.2
160.70789	0.2
161.04500	0.6
162.37762	0.2
169.01398	0.2
174.03069	0.2
175.03952	0.8
179.05530	0.3
185.06047	0.2
192.88536	0.2
199.03969	0.8
200.04620	0.2
201.01962	0.3
203.05682	0.2
211.04062	0.4
212.04636	0.2
213.05515	0.3
217.05072	0.7
225.15001	0.5
227.03500	0.6
239.03464	0.3
241.05075	0.4
243.02966	0.4
250.24873	0.2
255.02982	0.5
256.03848	1.5
257.04428	0.3
267.16235	0.2
278.91064	0.2
283.02582	0.3
284.03329	34.0
285.04099	74.8
286.04462	5.5
297.04065	0.3
299.05548	0.2
327.05042	0.9
369.19257	3.9
370.19806	0.4
387.20316	4.3
388.20749	0.3
404.28040	0.2
429.21365	13.3
430.21826	1.6
447.09415	100.0
448.09750	11.7
569.07288	0.3
745.10516	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00264	0.4
67.01741	0.4
68.99680	0.4
69.55412	1.7
71.01270	9.5
72.99190	2.4
73.02841	0.7
75.00762	4.5
83.01279	0.6
83.04837	0.3
85.02843	23.1
86.03153	0.3
87.00767	3.1
89.02349	1.5
95.01283	6.8
96.95897	1.2
99.00786	7.5
101.02341	0.4
103.00294	2.7
107.01300	0.7
111.00788	0.5
113.02357	37.2
114.02679	1.0
115.00281	1.8
116.09787	0.3
117.01842	2.4
117.03345	0.7
129.01852	1.7
133.02902	0.4
139.00296	0.5
141.67851	0.3
143.63010	0.3
151.00342	0.7
157.01353	1.0
173.37271	0.3
175.02444	18.6
176.02745	0.6
183.04451	0.5
188.32179	0.3
225.05438	0.3
227.03430	0.5
255.03069	0.4
256.03812	3.7
269.04614	23.8
270.04919	2.3
283.02438	0.5
284.03326	65.6
285.03745	6.5
299.05676	100.0
300.06006	7.9
325.12967	0.7
326.72836	0.3
341.06665	0.7
371.07941	0.4
410.78259	0.3
442.66223	0.3
445.07834	6.3
446.08115	1.5
447.09247	0.7
457.07916	0.4
475.08929	78.2
476.09341	9.2
581.85828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.4927
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01269	100.0
72.01593	1.7
72.99180	1.7
73.02834	3.4
75.00751	2.3
77.23331	1.2
78.95799	3.1
81.03313	1.2
83.01284	2.2
85.02838	6.4
87.00751	4.8
88.42278	1.2
89.02328	16.6
90.14936	1.3
90.53864	1.1
95.01251	1.5
96.95940	9.5
97.02856	4.5
99.00761	4.2
101.02347	15.1
109.06489	5.4
113.02353	7.8
113.89602	1.2
119.03417	4.0
122.97922	1.2
125.02369	7.5
125.09603	3.3
127.11198	2.9
143.03409	2.9
161.04539	3.0
163.11240	3.7
171.10223	62.4
172.10527	2.8
179.05551	4.2
181.12300	2.0
197.11803	1.5
199.09740	13.3
201.11317	18.3
202.11563	1.2
207.10236	17.1
208.10666	1.2
209.11836	2.6
215.12842	2.8
221.06619	2.3
225.11295	12.2
229.27873	1.7
235.08362	6.1
253.09193	2.1
277.21786	48.9
278.22098	2.7
287.07669	2.1
305.08771	2.0
306.71021	1.3
339.82336	1.4
379.12491	6.7
397.13568	32.6
398.13898	1.9
415.14673	10.3
597.24091	3.3
623.25751	3.5
641.27155	1.3
857.44177	1.7
883.47815	8.6
884.46930	3.6
901.47302	2.0
919.48676	11.0
920.49518	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	919.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01266	24.9
75.00787	3.8
78.95762	5.3
83.01244	3.5
85.02827	7.1
87.00770	5.8
88.98684	9.5
89.02325	23.5
91.76945	3.3
96.93563	3.5
96.95887	17.7
97.02841	6.0
98.20675	7.3
99.00770	6.8
101.02324	20.7
109.06482	15.5
113.02331	16.7
119.03381	4.8
125.02316	7.9
143.03479	4.2
163.11200	11.2
179.05554	9.2
179.96893	3.4
181.12280	9.4
197.11845	6.5
201.11301	23.4
207.10239	83.4
208.10686	5.0
209.11827	24.9
225.11320	50.8
229.13977	3.3
235.08183	4.4
243.12332	5.0
253.21678	11.2
255.23259	9.8
265.22302	3.3
277.21802	74.0
278.22174	4.7
283.03058	3.2
287.07806	5.5
287.58218	3.2
305.08740	3.7
349.97568	3.4
379.12466	15.5
379.92160	4.1
397.13559	96.1
398.13730	10.2
407.93488	4.3
415.14572	23.2
448.84756	3.5
587.23334	4.8
605.24707	12.9
623.25684	9.7
675.36218	12.9
837.46631	4.2
859.47302	28.7
865.45636	10.5
866.45941	5.9
883.47034	100.0
884.47656	21.1
919.45245	57.3
920.45569	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	917.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03344	3.0
69.53049	2.8
69.53458	7.3
71.01270	55.6
72.99195	3.8
73.02833	8.6
75.00762	2.2
80.96396	1.1
81.03336	2.8
83.01289	2.5
83.04913	6.3
85.02847	10.0
87.00773	9.2
87.19263	1.2
89.02337	22.3
95.01284	2.9
95.04921	2.6
96.95912	8.1
97.02880	8.0
99.00769	3.4
101.02348	21.9
107.04997	1.2
109.06511	6.3
111.04354	1.6
111.08044	3.7
113.02345	13.7
119.03417	5.1
121.10130	1.3
123.04418	1.2
125.02361	8.4
125.09630	3.1
127.11224	2.7
139.07640	1.7
139.11221	1.5
143.03476	6.0
155.10699	2.2
161.04485	4.7
161.09657	1.8
163.11255	7.6
164.98491	1.3
167.10742	1.2
171.10211	41.8
177.94005	1.2
179.05583	8.6
181.12263	5.2
183.10205	1.2
185.11780	5.2
189.09229	2.1
191.10753	1.8
195.13878	8.8
197.11775	4.0
201.11299	31.4
207.10245	24.0
208.10516	1.7
209.11812	46.5
210.12103	3.3
211.13443	3.4
215.12764	2.5
221.06644	4.6
223.13365	5.9
225.11319	42.6
226.11679	3.3
227.12813	5.3
231.21600	1.2
235.08237	7.7
243.12373	3.9
253.09319	4.1
275.20135	12.2
287.07751	2.9
289.18723	1.3
291.19678	27.4
292.19861	1.9
293.21298	100.0
294.21646	8.5
305.08893	2.2
306.09671	1.3
309.20816	4.2
311.22409	3.3
379.12463	4.2
397.13580	46.5
397.36191	1.3
398.14059	2.6
415.14600	19.2
439.14639	2.4
457.15851	1.3
569.24829	1.6
605.24359	4.4
623.25592	6.2
673.34937	1.2
691.35791	2.9
712.64246	1.5
881.46478	1.7
899.47015	10.9
900.46320	2.2
917.47430	9.2
918.46802	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	917.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03349	2.0
69.65136	3.4
71.01271	18.8
71.04886	0.4
72.99201	1.6
73.02831	2.4
75.00757	0.8
80.02563	1.4
80.88183	0.5
81.03348	2.3
83.01276	2.4
83.04916	6.0
84.02066	1.5
85.02840	4.1
87.00778	3.8
89.02338	13.7
93.03359	0.6
95.01299	1.4
95.04935	1.5
96.95910	8.5
97.02850	4.6
97.06509	1.7
97.25036	0.5
98.19813	0.7
99.00773	1.6
99.04426	0.5
101.02341	13.2
107.04901	0.4
109.06513	1.3
111.04448	0.8
111.08078	3.3
113.02357	6.5
119.03426	3.4
121.02892	0.6
122.68795	0.4
123.04446	0.7
125.02370	4.7
125.06016	0.8
125.09650	0.9
127.26209	0.4
135.08136	0.8
137.09654	0.8
143.03447	2.2
153.12764	0.7
159.38219	0.4
161.04518	3.3
163.11255	5.9
165.11815	0.4
165.12830	4.4
169.12292	1.9
171.10219	6.8
179.05606	3.4
181.12378	2.3
183.13852	1.0
185.11775	0.7
191.10750	1.6
193.15942	0.6
197.11809	15.8
198.12186	1.0
199.13350	1.4
201.11313	1.2
202.09950	0.4
207.10263	1.9
209.11821	100.0
210.12154	8.4
211.13515	3.1
213.35109	0.4
217.07217	0.6
221.06676	1.2
223.13419	0.9
225.11313	4.1
225.14938	0.5
227.12904	14.8
228.13179	1.3
229.14536	0.5
233.11575	0.5
233.15572	0.6
235.08273	5.0
243.12442	0.5
247.20799	2.2
253.09447	1.5
263.20181	0.6
268.71347	0.4
273.18826	0.8
287.07813	1.2
291.19714	23.5
292.20084	2.2
293.21313	6.7
294.21710	0.6
305.08862	1.5
309.20776	67.4
310.21158	5.7
323.09970	1.2
373.44522	0.4
379.12531	3.4
397.13608	36.5
398.14056	1.9
415.14667	14.0
416.14932	1.2
501.32489	0.6
607.26123	2.5
625.27203	0.5
671.33002	0.6
689.34235	1.6
707.35461	2.0
708.35663	0.6
899.46112	1.3
917.46539	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	917.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
64.59570	1.3
69.03312	1.8
69.25246	2.0
71.01266	44.6
72.99187	5.2
73.02828	9.8
75.00762	2.5
81.03349	2.9
83.01282	4.8
83.04926	3.3
84.02078	3.1
85.02840	11.2
87.00774	10.1
88.98714	1.4
89.02338	21.8
95.01289	4.4
95.04941	2.9
96.95920	9.2
97.02858	8.0
97.06468	1.8
98.20602	2.3
99.00768	2.7
101.02345	27.4
109.06515	7.8
111.08073	2.1
113.02352	14.9
116.92786	1.9
119.03413	7.6
121.02856	1.5
121.10172	2.9
125.02360	10.0
125.09622	5.6
127.11167	2.8
136.33984	1.5
139.07596	2.2
141.01845	2.8
143.03432	5.8
155.10738	4.3
161.04488	6.4
161.09692	2.7
163.11247	9.4
165.12819	2.8
171.10220	54.5
172.10550	1.9
179.05594	7.9
179.10776	2.2
181.12273	4.1
184.30399	1.5
185.11742	3.3
189.09169	2.8
195.13908	7.3
197.11818	6.2
201.11295	39.5
202.11639	1.9
207.10254	26.3
208.10609	1.5
209.11818	65.6
210.12163	6.2
211.13336	2.2
215.12854	3.6
217.07201	2.0
221.06654	2.7
223.13356	2.7
225.11324	54.8
226.11652	3.1
227.12860	5.8
235.05887	1.4
235.08206	8.3
243.12393	4.5
253.09261	3.4
275.20227	15.9
287.07916	1.5
291.19690	25.4
292.19760	1.6
293.21283	100.0
294.21597	7.7
305.08664	2.3
307.19193	1.9
309.20755	4.5
323.09598	1.8
379.12469	5.6
397.13574	49.7
398.14014	4.7
415.14609	20.4
439.14578	3.6
551.24084	1.7
569.24426	2.9
605.24585	6.4
623.25439	11.8
641.26740	3.0
691.35449	2.5
893.43518	1.5
899.46881	8.9
900.47040	2.2
917.46832	7.5
935.57025	1.6
936.31232	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	915.4613
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99728	0.8
69.03342	4.2
69.24139	0.7
70.13438	2.5
70.48791	0.7
71.01266	23.6
71.04902	2.1
72.88902	0.7
72.99201	1.7
73.02827	2.6
75.00742	0.9
79.32465	0.7
79.95632	0.9
80.02563	1.1
81.03353	1.3
83.01271	1.8
83.04913	2.8
85.02850	4.1
87.00755	3.8
89.02337	10.5
95.01291	2.0
95.04895	0.9
96.95895	2.2
97.02846	3.9
97.06509	1.7
99.00770	1.6
101.02345	13.3
109.06490	5.0
110.06814	0.8
111.00799	0.8
111.04453	1.1
111.08086	1.4
113.02357	5.8
116.50983	0.7
119.03414	3.0
123.04419	0.7
123.08052	1.4
125.02361	2.6
125.09587	3.3
135.08066	0.9
143.03455	1.5
151.11194	2.5
153.12743	1.6
156.81053	0.7
161.04500	1.4
161.09641	2.5
163.11221	4.3
165.12851	1.2
169.12286	0.9
171.10147	2.5
179.05582	2.1
179.10748	5.2
181.12270	2.7
183.13919	1.5
185.11836	1.1
195.13870	4.1
197.11804	55.0
198.12103	2.9
199.13371	0.7
201.11192	1.2
204.42676	0.7
205.87320	0.7
207.10263	10.5
209.11824	24.9
210.12128	2.5
211.13335	3.5
221.06609	3.5
223.09738	1.2
223.13374	2.0
225.11320	7.5
226.11728	1.5
227.12943	4.6
235.08177	2.0
241.10944	4.0
245.19246	1.0
253.09326	1.1
263.07913	0.8
263.20233	1.9
275.20343	1.7
289.18170	5.9
291.19827	4.5
293.21231	10.2
294.21680	1.0
307.19199	9.1
309.20731	9.3
310.21097	1.5
379.12634	1.6
397.13541	11.2
398.14151	1.0
415.14581	4.4
416.14923	0.7
420.82385	0.8
481.79367	0.8
605.25348	1.3
623.26074	1.0
649.52789	0.7
707.34833	1.0
755.58344	0.9
897.45374	2.4
915.46136	100.0
916.28027	1.3
916.46472	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03343	4.7
71.01266	39.6
71.04906	1.9
71.37144	2.1
72.99174	2.7
73.02821	5.5
78.82996	0.8
80.02559	2.7
80.05489	1.0
81.03343	7.8
83.01272	5.5
83.04911	9.8
84.02074	1.1
85.02831	9.7
87.00762	8.7
89.02339	25.9
95.01295	3.4
95.04934	3.4
96.95907	5.0
97.02843	13.4
97.06496	2.8
99.00788	5.0
101.02343	25.0
107.04905	1.2
109.06497	27.6
110.03643	1.3
111.04424	1.2
111.08067	9.1
113.02348	14.3
119.03401	6.9
121.02906	1.1
121.06480	2.7
123.04460	2.8
125.02364	9.2
125.06029	2.2
125.09645	3.9
131.03416	1.5
135.08060	5.7
136.05258	1.6
141.01866	1.5
142.02641	3.4
143.03424	4.2
153.09053	1.1
161.04462	4.9
161.09637	2.5
163.09999	1.9
163.11244	22.8
164.11574	1.2
165.12813	4.0
166.13156	1.1
167.10709	1.3
169.12312	6.3
171.10193	4.6
179.05551	5.5
179.10686	1.8
181.12309	8.0
185.11803	3.0
189.09161	1.5
191.10727	1.4
191.14360	2.6
193.12482	1.0
197.11792	46.6
198.12187	2.2
199.13289	2.6
207.10249	77.5
208.10579	5.7
209.11815	100.0
210.12146	8.5
211.13441	7.9
221.06667	4.1
225.11320	42.8
225.14787	1.9
226.11771	3.5
227.12932	12.2
228.13255	1.1
235.08307	6.7
241.10620	1.6
243.12431	2.5
245.19104	6.0
253.09306	2.7
263.07843	1.3
263.20151	3.1
265.18344	1.3
281.13937	1.5
287.07797	2.3
289.18152	25.3
290.18503	2.4
291.19727	14.5
292.20197	1.1
293.21335	3.2
299.15079	2.1
305.08774	2.2
307.19223	25.8
308.19537	2.4
309.20792	63.3
310.21024	7.1
323.09784	1.8
323.82440	1.1
355.94870	1.4
379.12543	3.6
397.13586	58.1
398.14105	3.4
415.14688	23.8
485.74228	1.2
601.01447	1.2
605.24701	5.9
623.25488	6.5
689.33673	1.5
707.35065	3.7
758.14911	1.2
865.45978	1.5
879.44812	1.5
897.44751	6.1
915.46185	72.8
916.46515	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	913.4113
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00227	0.5
67.71456	0.1
68.99689	0.2
71.01278	2.2
71.56282	0.2
72.99194	0.4
73.02851	0.2
73.91718	0.1
75.00776	0.8
83.01285	0.4
85.02843	2.3
87.00784	0.8
89.02332	0.4
95.01283	0.7
99.00787	1.0
103.00282	0.3
105.03371	0.2
107.01302	0.8
109.02854	0.3
113.02361	2.3
115.00281	0.4
117.01867	0.3
120.89079	0.2
121.02869	0.3
129.01860	0.4
132.59274	0.2
133.02875	3.5
133.03833	0.3
135.86105	0.2
149.02376	1.3
151.00296	3.3
166.02596	0.4
173.06032	0.2
175.02452	0.4
175.03972	1.9
176.04349	0.2
177.01923	0.2
181.05008	0.5
185.05975	0.2
198.03200	0.2
199.03976	1.7
201.01898	0.4
207.30731	0.2
213.05588	0.3
215.03490	0.2
217.05075	0.9
226.02766	0.2
229.05096	0.2
239.03337	0.3
241.05096	0.6
242.02023	0.2
243.02991	0.6
255.02916	0.2
256.03586	0.2
257.04550	0.4
267.03040	0.2
283.02634	0.3
284.03406	0.6
285.04108	100.0
286.04449	7.0
297.04160	0.5
299.05545	0.2
327.05157	1.2
355.04642	0.3
357.06161	0.9
369.06223	0.3
381.06195	0.4
399.07339	0.2
417.15768	0.8
461.07364	56.9
462.07761	5.6
504.06284	0.2
595.80963	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	909.3058
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	1.1
65.00185	0.6
67.01767	0.2
68.99706	0.3
69.45023	0.9
71.01267	5.0
72.99193	0.9
73.02830	0.6
75.00760	2.3
82.43907	0.1
83.01263	0.6
84.02069	0.2
85.02843	12.6
86.03183	0.3
87.00770	1.8
89.02335	0.9
93.03367	0.3
95.01280	3.5
96.01625	0.1
99.00782	4.2
101.02375	0.2
103.00275	1.9
105.03392	0.2
107.01288	1.4
111.00780	0.3
111.39880	0.1
113.02356	22.8
114.02700	0.4
115.00279	0.9
117.01881	1.4
117.03366	3.3
121.02882	0.2
129.01849	0.8
133.01387	0.1
133.02869	0.1
135.04446	0.1
139.00327	0.2
147.02983	0.1
149.02367	1.3
151.00304	1.5
155.04926	0.1
157.01353	0.4
159.04465	1.2
161.02394	0.7
169.06526	0.4
175.02438	13.4
176.02771	0.4
180.05811	0.2
181.05112	0.1
181.06490	0.5
183.04510	0.7
191.03267	0.1
192.99625	0.2
193.63434	0.1
195.04523	0.1
196.05231	0.2
197.06078	0.7
199.03963	0.2
201.05556	0.8
203.03412	0.1
208.02002	0.3
213.05551	0.1
223.04454	0.6
224.04704	0.6
225.05592	1.7
227.03563	0.5
228.03969	0.1
241.05122	0.2
250.10829	0.2
268.03900	0.2
269.04602	100.0
270.04947	7.2
284.03299	0.1
285.04105	2.3
286.04449	0.9
287.04819	0.4
301.03638	0.3
311.05670	0.2
316.17706	0.1
337.68030	0.1
403.10873	0.2
445.07846	38.6
446.08197	4.2
447.09402	0.2
461.07269	0.8
462.07803	0.5
463.08347	0.7
860.14716	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	907.6512
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01778	0.2
67.42949	0.1
69.03329	0.2
71.01278	0.8
71.04913	0.2
73.02834	0.3
75.00758	0.4
75.91293	0.1
80.02545	0.2
81.03345	1.1
83.01272	0.3
83.04916	2.6
84.02055	0.2
84.79987	0.1
85.02832	0.9
89.02354	0.2
89.26308	0.1
96.95961	0.1
97.06490	0.2
99.00777	0.6
101.02374	0.4
107.01302	0.3
113.02360	1.4
117.03367	0.1
123.08084	0.1
124.07636	0.1
125.02412	0.2
125.09653	1.6
127.11210	2.6
133.02902	0.3
135.04456	0.6
137.02373	0.2
142.34570	0.1
143.08215	0.2
147.04440	0.2
147.22168	0.1
148.05241	0.5
151.00279	0.9
155.14352	0.7
161.02383	0.2
163.11252	0.2
165.12781	0.6
167.14352	1.5
168.14571	0.1
171.10219	2.6
172.10571	0.2
175.02460	0.6
177.01830	0.1
183.13893	1.2
191.03467	0.2
193.12303	0.5
207.15099	0.1
209.11833	2.1
210.12180	0.3
211.13382	7.7
212.13666	0.5
224.17719	0.3
225.16068	2.0
229.14464	100.0
230.14795	5.5
269.04636	4.0
270.05032	0.5
285.04068	0.9
286.04495	0.3
287.05704	0.4
367.27295	0.2
433.31851	0.2
445.07932	1.4
446.08078	0.2
448.09543	0.2
449.10834	0.8
449.82449	0.1
450.11288	0.2
451.32983	1.4
461.07437	0.3
550.43744	0.2
659.49164	0.4
677.49854	33.7
678.50134	7.2
708.89417	0.2
845.31232	0.3
846.32397	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02266	0.4
64.34114	0.3
65.00223	0.5
71.01269	2.7
71.56218	0.3
72.99194	0.4
73.02834	0.3
75.00777	1.1
83.01279	0.4
85.02843	2.6
87.00771	0.8
89.02340	1.1
89.33492	0.3
95.01281	0.8
99.00793	0.9
101.02325	0.4
107.01303	1.5
109.02863	0.6
113.02351	2.5
115.00303	0.3
117.01873	0.3
119.03358	0.3
121.02920	0.5
124.89608	0.2
133.02870	4.6
143.03381	0.3
149.02361	1.3
150.03186	0.2
151.00302	3.6
151.31033	0.2
152.00728	0.3
159.04443	0.3
161.02367	0.3
162.03183	0.4
171.04370	0.4
175.03951	1.7
177.01866	0.3
177.05498	0.2
179.05573	0.4
185.05913	0.3
197.06064	0.3
198.03059	0.4
199.03992	2.1
201.01895	1.1
213.05464	0.5
215.03625	0.3
217.04967	1.2
226.02824	0.4
227.03531	0.9
229.05141	0.3
231.03014	0.3
241.05070	1.0
242.02258	0.5
243.03009	1.2
255.03006	1.3
256.03729	0.6
257.04562	0.6
270.01730	0.4
271.02527	4.2
272.03000	0.3
272.06287	0.2
283.02551	0.5
284.00897	0.2
284.03336	7.0
285.04111	100.0
286.04477	8.0
297.04214	0.6
298.01385	0.3
299.02075	4.4
300.02728	0.9
301.03717	1.2
307.72833	0.2
325.03427	0.3
327.05338	1.0
357.06253	0.8
381.06104	0.4
433.07922	0.7
447.09418	12.2
448.09598	1.5
460.25580	0.5
461.07355	66.5
462.07886	9.8
463.08731	1.0
542.36279	0.3
699.26434	0.3
747.29053	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	907.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02291	5.0
65.00207	18.9
67.91830	1.0
69.84756	6.1
71.01270	10.2
72.99171	1.6
73.02840	1.2
75.00751	3.6
83.01276	10.3
85.02847	6.6
87.00745	3.0
89.02338	4.7
95.01302	1.5
96.95918	3.2
99.00750	4.2
101.02348	6.5
101.29568	1.0
107.01295	25.2
109.02826	1.8
111.71741	1.0
113.02329	5.6
115.93362	0.9
117.01824	2.3
119.03426	1.2
121.02901	1.2
123.04452	2.1
124.01494	1.3
125.02370	39.0
133.02896	2.0
135.04431	2.5
143.04951	2.1
147.04465	2.4
148.05212	3.7
150.06808	1.0
151.00308	61.8
152.00586	2.9
161.02388	3.7
161.04559	1.0
163.03886	2.0
167.03423	3.4
169.01341	2.5
172.05249	2.9
174.03157	2.4
185.06006	1.6
185.12074	1.0
186.06796	4.5
191.03477	8.0
192.04231	1.1
195.06749	1.4
200.04672	1.5
209.05791	1.1
209.11888	1.9
212.04836	3.6
227.10806	1.0
253.09430	1.5
255.03023	1.3
255.13885	1.3
256.03818	2.2
269.04657	1.5
280.03973	1.4
283.02609	2.0
284.03314	7.3
285.04095	2.6
296.03284	4.1
297.04184	2.2
297.15027	17.8
309.04120	5.8
315.16058	11.6
321.14844	1.4
323.12839	1.6
324.02762	2.0
325.14508	15.7
326.14560	1.8
337.03574	1.8
341.14075	2.7
343.15579	23.9
344.16040	1.7
349.14468	2.6
351.12292	1.6
351.20111	2.6
364.11182	1.0
367.15604	4.6
369.13470	5.3
391.15579	2.3
417.19095	1.6
433.16690	1.6
449.16217	13.0
459.14447	6.1
459.43716	1.0
467.17230	7.4
477.15884	6.2
495.16672	2.0
516.56573	1.1
551.18921	1.3
579.24377	2.9
603.24518	3.4
605.22723	6.7
627.24744	2.5
669.04358	1.2
669.25690	1.5
703.26044	2.2
713.24921	6.8
731.25732	78.0
732.25879	13.1
845.30817	2.3
907.28955	100.0
908.29388	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	907.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02279	0.4
65.00203	0.5
67.01766	0.3
68.99712	0.2
69.47604	1.1
71.00897	0.2
71.01268	2.8
72.99182	0.3
73.02824	0.2
75.00758	1.1
81.87075	0.1
83.01289	0.3
84.02037	0.1
85.02842	5.2
87.00769	0.9
89.02341	0.4
93.03355	0.2
95.01289	1.8
98.19807	0.3
99.00771	1.8
103.00269	0.8
107.01312	0.8
109.02851	0.2
113.02354	9.2
114.02715	0.2
115.00276	0.4
117.01839	0.6
117.03336	0.9
119.04958	0.4
121.02857	0.3
123.00842	0.2
129.01857	0.4
133.02882	2.4
134.03204	0.2
136.98718	0.5
137.02377	0.4
139.00290	0.3
143.04951	0.2
145.02864	0.3
149.02374	1.0
150.24702	0.2
151.00302	1.9
157.06523	0.2
159.04433	0.4
159.60320	0.1
161.02347	0.2
163.00368	0.2
164.98265	0.2
165.01859	0.4
166.99811	0.3
167.04977	0.2
169.06517	0.3
171.04456	0.6
173.06001	0.2
175.02458	4.8
175.03943	0.8
177.01894	0.3
181.09906	0.1
183.04536	0.4
185.06055	1.2
187.03964	1.0
189.05548	0.2
192.00601	0.4
195.04498	0.2
196.05273	0.2
197.06059	0.4
198.03207	0.2
199.04022	1.1
201.01967	0.2
201.05515	0.3
203.66479	0.1
210.08047	0.1
211.03972	0.6
213.05568	2.3
215.03477	0.2
217.04987	0.8
223.04066	0.2
225.05585	0.3
227.03532	0.2
229.05043	0.8
236.53336	0.1
239.03481	1.1
240.04242	0.4
241.05060	1.4
243.03065	0.4
253.45653	0.2
255.03069	0.7
256.03595	0.4
257.04596	1.1
267.03055	0.7
268.03784	1.1
269.04614	13.2
270.04953	0.7
277.59030	0.2
283.02539	0.8
284.03345	1.4
285.04102	100.0
286.01230	0.3
286.04462	5.6
297.04172	0.3
327.05203	0.5
357.06189	0.4
381.06247	0.2
445.07904	3.7
446.07956	0.4
447.06189	0.2
460.06375	0.2
461.07352	39.4
462.07669	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	901.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
62.93633	0.2
69.03335	1.2
70.68919	0.6
71.01269	14.5
71.04900	0.2
72.01595	0.4
72.99200	1.4
73.02826	2.0
75.00742	0.5
75.15780	0.2
77.82545	0.2
78.95808	0.3
79.19977	0.2
80.02563	1.1
81.03348	2.0
83.01272	1.7
83.04913	6.0
84.02051	0.9
85.02842	3.7
85.99962	0.2
87.00771	3.2
88.76147	0.2
89.02336	11.4
91.03894	0.2
93.03384	0.3
95.01282	1.3
95.04908	1.1
96.95901	2.0
97.02853	1.9
99.00750	0.8
99.04436	0.3
101.02344	10.0
102.92519	0.2
109.02853	0.3
109.06493	0.8
111.00790	0.4
111.04428	0.3
111.08051	0.4
113.02357	5.8
115.03891	0.3
119.03421	2.8
121.02839	0.3
125.01455	0.3
125.02365	4.9
125.05996	0.6
125.09631	0.4
131.03415	0.7
135.08063	0.9
141.01845	0.2
143.03419	2.0
147.11771	0.3
149.04498	0.3
161.04507	3.0
163.09985	0.4
163.11234	4.1
164.11536	0.2
165.12773	2.5
167.03423	0.4
167.10692	0.3
167.35872	0.2
169.12244	0.2
171.10199	0.3
179.05573	3.5
179.10675	0.3
179.14383	0.5
181.12300	0.9
183.13879	1.3
185.04503	0.2
185.11848	0.2
191.10661	1.3
195.13893	4.7
196.14502	0.5
199.06082	0.3
205.12325	0.4
205.15938	0.4
207.10162	0.3
209.11812	100.0
210.12151	6.3
211.13315	1.3
217.07089	0.5
221.06656	1.2
223.13405	4.3
225.11418	0.4
225.14934	0.3
227.12894	12.0
228.13341	1.0
231.21208	0.4
235.08253	4.6
235.17145	1.2
236.08768	0.3
251.12930	0.3
253.09366	1.1
256.13223	0.7
259.08090	0.3
263.07779	0.3
275.20242	5.5
276.20496	0.5
287.07693	1.2
291.19650	0.4
293.21292	99.8
294.21625	9.5
294.24225	0.2
305.08771	2.0
309.20825	0.4
317.21350	0.3
323.09937	1.5
361.11703	0.3
379.12503	4.6
380.12994	0.5
397.13580	41.7
398.13986	3.2
415.14651	13.5
415.19012	0.2
416.14929	1.0
485.32816	0.4
589.25049	1.0
607.26233	4.1
608.26709	0.7
653.35773	0.2
673.34436	0.8
691.35199	1.3
832.40350	0.3
901.45874	1.1
928.60144	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	901.482
Annotation	Unknow
Peak:m/z	Relative Intensity
63.61160	0.2
69.03339	1.2
71.01268	15.7
71.04903	0.4
71.27396	0.5
71.54118	0.2
72.01605	0.2
72.99194	1.3
73.02831	2.3
75.00760	0.6
77.86272	0.2
79.95647	0.4
80.02557	1.1
80.96416	0.2
81.03345	1.5
83.01279	1.7
83.04916	5.6
83.05341	0.2
84.02068	1.2
85.02839	3.2
87.00771	3.2
88.01135	0.2
89.02335	12.3
90.02687	0.3
91.03922	0.3
93.03325	0.4
95.01296	1.1
95.04911	0.8
96.95904	3.7
97.02846	2.5
97.06472	0.3
99.00783	0.9
101.02342	11.4
102.02680	0.3
109.02849	0.2
109.06503	0.4
111.04497	0.3
111.08116	0.3
113.02357	6.3
119.03421	3.5
121.10117	0.9
125.02374	4.4
125.05997	0.5
125.09635	0.4
131.03435	0.6
133.05045	0.3
135.08105	0.6
141.01817	0.4
141.09143	0.3
143.03418	2.3
145.05038	0.3
147.11679	0.3
149.04466	0.5
149.09653	0.3
161.04497	3.3
163.11234	4.5
165.12798	2.8
169.12292	0.3
171.10194	3.7
177.12906	0.2
179.05571	3.7
179.14391	0.6
181.12300	0.8
183.13873	0.6
185.04445	0.3
191.10721	0.8
195.13872	6.2
196.14546	0.3
197.11807	0.3
199.13354	0.3
205.12320	0.5
205.15999	0.5
205.54524	0.2
207.10234	0.4
209.11815	98.5
210.12161	6.3
211.13419	1.1
217.07213	0.5
221.06758	1.5
223.13387	4.7
224.13815	0.5
225.11354	0.3
225.14735	0.3
227.12895	13.8
228.13464	1.1
231.21136	0.4
235.08261	4.7
235.16948	0.6
236.08380	0.3
245.06789	0.3
251.12868	0.3
253.09250	1.3
256.13177	0.7
259.08255	0.4
263.07721	0.6
265.21658	0.3
275.20215	9.3
276.20599	0.8
287.07819	1.4
291.19830	0.7
292.20117	0.4
293.21292	100.0
294.21628	8.4
294.24265	0.2
305.08817	2.0
309.20645	0.3
317.21368	0.3
323.09909	1.0
340.54211	0.3
341.23166	0.3
379.12527	4.7
380.13232	0.4
397.13586	37.0
398.13947	2.9
415.14655	14.7
416.14880	0.9
447.98160	0.2
484.00027	0.3
485.32861	0.5
503.33984	0.3
551.24695	0.3
589.25323	0.7
607.26288	2.6
608.26959	0.4
654.28772	0.4
673.34442	1.2
674.34967	0.3
691.35663	2.1
870.10822	0.3
901.45905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.12541	2.1
71.01275	10.7
71.36940	2.8
72.99204	2.5
75.00770	8.0
78.95793	6.0
80.96432	2.9
88.91785	2.0
89.02347	8.4
94.80874	2.1
97.02888	2.5
101.02342	11.0
111.59400	2.1
113.02357	8.7
117.65882	2.3
119.03453	2.9
122.14597	2.1
125.02383	3.0
141.01692	4.4
151.17941	2.0
161.04579	4.4
163.11253	3.1
165.12842	2.5
179.05634	5.9
204.02113	2.1
209.11812	100.0
210.12117	3.8
227.12903	19.3
235.08228	7.7
241.01263	2.6
255.23338	30.6
256.23758	3.4
379.12521	15.7
397.13608	48.0
408.31552	2.2
415.14685	7.5
589.25073	8.3
607.26038	10.9
612.19800	2.4
635.36560	6.2
653.38007	4.9
845.49670	4.0
899.47882	42.6
900.47345	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	899.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03339	3.8
70.73317	1.7
71.01270	18.0
71.04903	1.6
72.33284	0.5
72.99187	1.0
73.02823	2.2
78.95784	0.9
80.96389	2.2
81.03344	1.0
83.01252	1.7
83.04889	1.0
85.02840	4.0
87.00759	2.5
89.02338	8.6
94.97892	0.6
95.01266	1.3
96.10597	0.7
96.95876	0.6
97.02818	2.1
97.06479	1.1
99.00755	0.8
101.02348	8.4
109.06516	0.7
113.02349	4.5
119.03399	1.6
125.02337	2.1
125.09626	1.7
126.16740	0.5
128.03458	1.5
129.43141	0.6
143.03500	0.8
143.04556	1.8
143.21332	0.6
149.53549	0.7
151.11198	2.2
153.12802	1.2
161.04472	1.0
161.09641	2.0
169.12219	3.2
171.10240	1.1
175.27727	0.6
179.05600	0.8
179.10690	4.6
181.35635	0.7
195.04837	1.1
197.11806	39.2
198.12163	2.4
207.10207	1.2
209.11792	2.8
221.06705	1.2
223.09703	1.4
241.10771	1.7
254.07825	0.6
272.08951	3.9
277.21768	30.6
278.22137	3.5
288.30093	0.8
293.21161	0.9
309.20624	0.7
310.20950	0.8
379.00476	0.6
379.12894	0.6
397.13596	2.6
464.33401	1.9
627.39276	0.8
835.85223	0.7
899.46631	100.0
900.47076	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	899.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97348	0.3
63.50160	0.2
63.57828	0.2
67.01778	0.3
68.99731	0.2
69.03339	3.7
70.71574	0.4
70.71918	0.3
71.01266	14.1
71.04906	1.9
72.99202	1.7
73.02837	2.2
75.00765	0.5
80.96414	0.5
81.03351	0.7
82.64261	0.2
83.00877	0.2
83.01266	1.3
83.04906	0.6
85.02833	3.4
86.04356	0.2
87.00763	2.2
89.02332	8.8
93.03362	0.3
95.01283	1.1
95.04909	0.3
96.95902	0.3
97.02837	2.2
97.06487	0.7
99.00787	1.1
101.02344	10.1
101.03016	0.5
108.02090	0.2
109.02856	0.5
109.06502	0.4
111.00802	0.4
111.04439	0.7
113.02353	3.8
119.03429	1.8
121.02866	0.3
123.08057	1.0
125.02369	2.3
125.09637	1.8
131.03424	0.7
137.09639	0.5
143.03436	0.9
149.09651	0.3
151.11220	1.9
153.12787	1.2
161.04515	1.2
161.09647	2.4
163.11223	0.3
165.41586	0.2
169.12251	0.4
171.10181	0.6
179.05580	0.7
179.10722	5.1
180.25232	0.2
180.31792	0.2
197.11800	61.9
198.12135	3.2
209.11824	1.0
211.13290	0.4
221.06656	2.5
223.09723	1.5
235.08206	0.9
241.10855	3.5
242.11142	0.2
253.09219	0.6
259.20480	0.2
275.20322	0.3
277.21765	20.2
278.22128	1.4
291.19742	0.3
293.21167	0.5
295.22903	0.3
309.20898	0.4
379.12329	0.3
397.13580	2.2
415.14624	0.6
416.15179	0.2
621.24377	0.4
639.25061	0.7
642.17749	0.2
666.16736	0.3
881.44623	0.5
881.80145	0.3
899.46619	100.0
900.46942	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	898.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98405	10.9
69.56985	6.0
69.57388	32.3
71.01254	14.2
72.99196	4.6
75.00774	11.2
76.51584	4.7
83.04942	5.0
85.02850	4.7
87.00792	7.8
89.02339	12.4
99.00774	12.4
101.02377	7.4
103.78375	4.9
152.01184	5.9
161.02422	5.6
178.18736	5.4
191.17476	5.5
209.11809	100.0
210.12144	56.1
211.12357	23.5
227.12979	9.3
228.13298	6.4
266.15146	5.4
269.50745	5.3
285.04321	5.7
354.12466	5.1
397.13644	16.5
398.13925	6.9
399.14163	7.2
400.14111	5.6
488.61288	5.5
684.53546	5.5
760.36725	5.2
898.39667	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	899.4668
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37238	0.9
69.03348	2.0
71.01266	24.0
72.99178	2.6
73.02827	2.9
80.02571	0.8
81.03347	3.7
83.01274	2.3
83.04896	2.5
85.02841	7.7
85.03307	1.3
87.00770	4.9
89.02328	18.1
93.03340	0.9
95.01267	2.6
96.95902	6.0
97.02850	10.6
98.19824	2.1
99.00768	3.2
101.01704	1.3
101.02335	16.0
107.04928	1.5
109.06496	36.9
110.06856	1.1
111.00778	1.5
111.04414	1.0
113.02351	12.1
119.03419	4.7
120.08515	0.9
121.06496	2.2
121.10116	2.3
123.04404	4.1
125.02365	5.5
125.09670	1.2
128.32213	0.8
135.08049	4.0
136.05199	2.0
139.03876	0.9
139.55759	1.2
141.01831	1.4
142.02664	2.9
143.03424	1.4
145.10129	1.4
145.23521	0.8
149.04541	1.2
161.04512	4.5
161.09744	2.2
163.11229	19.8
164.11598	1.2
171.10193	8.8
179.05550	5.4
179.10703	1.5
181.12317	5.5
183.10275	1.0
189.09119	2.4
195.13881	6.6
197.11755	1.7
198.10315	1.0
207.10240	100.0
208.10622	6.2
209.11809	10.4
211.13339	1.8
221.06624	3.6
223.13344	4.5
225.11314	49.5
226.11676	2.3
227.12852	1.4
229.58305	1.2
231.21266	0.9
235.08208	5.6
243.12436	2.7
253.09164	1.3
275.20145	10.7
276.20477	1.2
287.07681	1.4
287.62314	0.9
291.19724	5.8
293.21289	97.6
294.21658	8.1
305.08722	1.1
309.20734	1.5
379.12466	3.8
397.13586	47.8
398.13916	3.4
415.14661	17.3
416.15060	1.2
493.96664	0.9
525.91101	0.9
587.23425	1.9
605.24707	10.3
606.24713	1.3
623.25397	10.1
624.25946	1.4
691.35547	1.9
692.36224	1.1
732.65204	1.1
881.46002	4.6
899.46631	66.6
900.47034	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	897.5086
Annotation	Unknow
Peak:m/z	Relative Intensity
63.40611	0.8
69.03341	1.6
71.01269	100.0
71.04919	1.0
72.01614	1.9
72.99194	2.2
73.02844	3.7
75.00764	7.7
76.01099	0.9
78.95780	1.9
80.96400	1.4
81.03364	2.3
83.01259	2.6
83.04927	1.5
85.02837	7.3
87.00751	5.4
89.02335	18.0
95.01272	3.1
95.04942	0.9
97.02846	5.0
98.20603	1.6
99.00761	3.0
101.02338	16.5
108.90604	0.8
108.91393	0.9
109.06496	3.9
111.04391	0.9
113.02344	9.2
119.03434	4.2
125.02381	5.7
125.09618	2.7
127.11200	1.7
137.09566	1.1
139.03870	1.1
143.03375	2.8
161.04517	3.9
163.11226	2.6
165.35315	0.9
171.10219	49.5
172.10619	1.2
177.12817	1.1
179.05545	4.1
181.12292	1.9
185.11725	1.3
199.09752	9.8
201.11325	10.6
207.10246	14.7
208.10559	1.5
209.11749	2.0
215.12830	1.6
221.06664	1.1
221.11858	9.2
222.12123	1.0
225.11371	11.0
235.08247	4.9
239.12936	4.3
243.12396	1.5
253.09258	1.6
255.23335	65.4
256.23666	5.3
277.21848	4.7
287.07642	2.1
305.08893	1.5
323.10269	1.1
379.12494	5.6
397.13593	39.8
398.13876	2.8
415.14771	10.1
560.70270	1.1
605.24731	1.2
623.25397	1.6
637.27289	1.4
653.37933	1.4
835.46710	2.8
861.48816	7.7
862.49524	3.3
879.50415	1.7
897.50232	14.1
898.50037	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	895.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02249	0.5
65.00178	0.6
66.11672	0.1
71.36914	0.1
71.37244	0.1
72.37663	0.1
76.73620	0.1
81.48513	0.1
83.01264	0.5
91.01782	0.1
95.01296	0.1
105.03384	0.2
107.01285	1.3
108.02091	0.1
109.02834	0.4
121.02852	0.4
123.00773	0.1
125.02335	0.1
132.02129	0.2
133.02870	2.9
134.03705	0.6
148.01619	0.2
149.02386	1.1
149.99492	0.2
151.00304	2.7
155.05048	0.1
169.01331	0.2
169.06584	0.1
171.04341	0.2
172.05215	0.2
175.03952	1.3
177.01820	0.2
183.04482	0.2
185.06009	0.3
187.03897	0.3
188.04831	0.1
189.05562	0.1
191.03439	0.1
195.04459	0.2
197.06088	0.2
198.03191	0.2
199.03964	1.3
200.04697	0.3
201.01892	0.5
206.09148	0.1
211.03963	0.6
212.04739	0.4
213.05528	0.4
214.02521	0.1
215.03482	0.2
216.04427	0.1
217.05009	0.9
227.03493	0.9
228.04074	0.2
229.04971	0.2
239.03429	0.3
240.04095	0.2
241.05115	0.5
242.02142	0.1
243.03128	0.4
250.41400	0.1
255.03069	0.7
256.03781	2.6
257.04529	0.4
267.02991	0.3
268.03778	0.1
269.04562	0.2
283.02484	0.4
284.03314	46.9
285.04068	100.0
286.04422	7.5
297.04077	0.5
299.05637	0.4
327.05148	1.3
328.05252	0.1
357.06390	0.1
446.08490	0.1
447.09381	83.3
448.09735	10.2
646.14685	0.1
748.01349	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	893.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11404	0.4
63.02270	0.6
64.58789	0.5
65.00194	1.1
66.89183	0.5
69.53342	3.9
70.65332	0.5
71.01255	2.3
72.99196	0.9
83.01272	1.2
85.02827	4.3
87.00755	0.8
89.02328	1.0
93.03352	0.5
95.01273	0.8
96.95904	1.5
98.19632	0.4
99.00769	1.3
103.00294	0.5
107.01289	1.9
108.02077	1.2
109.02841	1.4
113.02350	8.1
117.03348	0.9
121.02847	1.4
129.01814	0.5
148.01576	0.6
149.02338	0.9
151.00328	7.9
152.00993	0.6
157.01384	0.5
159.04436	0.6
161.02362	0.6
163.00319	2.3
163.04092	0.6
175.02412	5.5
175.03853	0.8
178.99806	3.8
191.03316	0.6
199.03951	0.8
201.05478	1.0
211.03979	1.2
226.02769	0.9
227.03473	1.8
243.02985	3.7
245.04552	1.9
252.34792	0.7
254.02177	0.6
255.03018	9.8
256.03525	1.8
269.04608	29.5
270.02094	0.6
270.04953	5.2
271.02539	21.2
271.05048	1.1
272.02954	2.0
273.04141	0.8
283.02585	1.1
284.03345	10.8
285.04092	19.5
286.01437	0.5
286.04453	2.0
299.02084	1.4
299.05652	3.2
300.02798	44.8
301.03537	33.7
302.03802	2.6
402.07104	0.6
445.07837	10.7
446.08191	1.7
447.09384	100.0
448.09732	10.6
475.08823	2.8
493.21371	0.5
535.58838	0.5
565.31317	0.5
609.09296	0.6
628.90472	0.5
717.13550	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	893.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02275	1.6
64.02623	0.2
64.99896	0.2
65.00188	1.2
66.00542	0.2
67.01762	0.4
68.99700	0.4
69.97276	0.4
70.43911	0.1
71.01269	6.0
72.01597	0.6
72.99197	1.3
73.01684	0.1
73.02838	0.5
75.00766	2.7
76.01089	0.2
81.03372	0.1
83.01273	0.9
84.02041	0.3
85.02843	13.9
86.03181	1.7
87.00768	2.1
87.03284	0.3
88.01106	0.3
89.00222	0.2
89.02328	0.9
93.03363	0.3
95.01283	3.9
96.01598	0.6
98.20512	0.1
99.00781	4.8
100.01123	0.7
101.01212	0.2
101.02341	0.2
103.00275	2.0
104.00588	0.2
105.00642	0.2
105.03360	0.4
107.01296	2.5
108.01605	0.4
109.02863	0.3
111.00793	0.2
113.02357	24.0
114.02695	3.1
115.00290	0.9
115.02788	0.8
117.01877	1.3
117.03370	4.0
118.02165	0.2
118.03716	0.9
119.04008	0.1
121.02869	0.4
126.88282	0.1
129.01857	1.0
132.02182	0.2
133.02870	2.0
134.03615	0.4
135.04460	0.3
139.00320	0.3
143.04948	0.1
147.04462	0.1
148.01619	0.3
149.02393	2.5
149.99467	0.1
150.02733	0.5
151.00311	3.5
151.02856	0.1
152.00645	0.3
155.04945	0.1
157.01349	0.4
157.06479	0.2
158.01656	0.1
159.04474	1.3
160.04790	0.4
161.02402	0.8
162.02727	0.4
169.01343	0.2
169.06557	0.5
170.06870	0.2
171.04477	0.2
173.06035	0.2
175.02452	11.7
175.03914	0.9
176.01266	0.1
176.02788	2.2
177.02977	1.0
180.05771	0.2
181.06490	0.6
182.03729	0.2
182.06853	0.2
183.04494	1.1
184.04863	0.3
185.06114	0.2
187.03999	0.1
188.04675	0.1
195.04393	0.2
196.05240	0.4
197.06091	0.7
198.03116	0.2
198.06380	0.3
199.04018	1.1
199.86789	0.1
200.04646	0.3
201.01849	0.3
201.05573	0.8
202.05806	0.2
203.03607	0.1
211.04047	0.4
212.04713	0.1
213.05603	0.4
215.03551	0.2
217.05130	0.5
223.04295	0.1
224.04736	0.3
225.05531	1.6
226.05853	0.7
227.03505	1.0
227.05928	0.2
228.04034	0.4
239.03488	0.2
240.04178	0.2
241.05107	0.6
243.02977	0.4
255.03006	0.4
256.03809	2.0
257.04343	0.2
267.02951	0.1
268.03940	0.3
269.04605	80.3
270.04944	40.8
271.05170	16.7
272.05392	0.8
283.02621	0.5
283.05600	0.1
284.03317	34.6
285.04086	76.1
286.04453	5.0
297.04123	0.3
299.05542	0.1
311.05518	0.2
327.05048	1.2
328.05484	0.1
417.06079	0.1
445.07855	17.4
446.08197	11.5
447.09326	100.0
448.09708	7.9
569.34625	0.1
617.43188	0.1
717.14691	0.1
805.03693	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	893.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
62.11404	0.4
63.02270	0.6
64.58789	0.5
65.00194	1.1
66.89183	0.5
69.53342	3.9
70.65332	0.5
71.01255	2.3
72.99196	0.9
83.01272	1.2
85.02827	4.3
87.00755	0.8
89.02328	1.0
93.03352	0.5
95.01273	0.8
96.95904	1.5
98.19632	0.4
99.00769	1.3
103.00294	0.5
107.01289	1.9
108.02077	1.2
109.02841	1.4
113.02350	8.1
117.03348	0.9
121.02847	1.4
129.01814	0.5
148.01576	0.6
149.02338	0.9
151.00328	7.9
152.00993	0.6
157.01384	0.5
159.04436	0.6
161.02362	0.6
163.00319	2.3
163.04092	0.6
175.02412	5.5
175.03853	0.8
178.99806	3.8
191.03316	0.6
199.03951	0.8
201.05478	1.0
211.03979	1.2
226.02769	0.9
227.03473	1.8
243.02985	3.7
245.04552	1.9
252.34792	0.7
254.02177	0.6
255.03018	9.8
256.03525	1.8
269.04608	29.5
270.02094	0.6
270.04953	5.2
271.02539	21.2
271.05048	1.1
272.02954	2.0
273.04141	0.8
283.02585	1.1
284.03345	10.8
285.04092	19.5
286.01437	0.5
286.04453	2.0
299.02084	1.4
299.05652	3.2
300.02798	44.8
301.03537	33.7
302.03802	2.6
402.07104	0.6
445.07837	10.7
446.08191	1.7
447.09384	100.0
448.09732	10.6
475.08823	2.8
493.21371	0.5
535.58838	0.5
565.31317	0.5
609.09296	0.6
628.90472	0.5
717.13550	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	891.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	1.7
69.03343	3.6
71.01273	23.8
71.04901	0.9
72.99210	1.9
73.02827	2.6
75.00745	2.0
80.02555	1.5
81.03345	6.6
83.01267	2.9
83.04911	6.4
84.02060	1.0
84.46562	0.8
85.02842	5.2
87.00780	6.2
89.02332	14.5
91.92533	0.8
93.03357	1.3
94.87436	1.1
95.01278	2.3
95.04928	2.0
96.95905	1.2
97.02847	13.3
97.06488	1.9
99.00800	4.8
101.02356	13.3
106.04153	1.0
107.04955	2.0
109.02846	1.6
109.06503	48.8
110.03643	2.2
110.06843	1.3
113.02347	8.3
116.92755	2.2
117.07008	1.0
118.46644	0.9
119.03415	3.6
121.02910	1.7
121.06492	3.4
123.04456	1.0
123.08041	1.5
125.02379	4.0
125.09650	6.2
131.03401	1.4
135.04413	0.8
135.08090	7.7
136.05200	2.5
141.01802	1.0
142.02658	3.9
143.03427	1.5
145.10066	1.0
147.04364	1.0
148.05211	2.6
161.04494	3.1
161.09645	5.0
163.11237	25.0
163.14299	0.8
164.11575	1.2
165.09099	1.7
171.10156	1.0
176.61235	0.8
179.05583	3.7
179.10703	2.7
181.12323	8.7
185.11945	1.0
187.09685	3.4
189.09187	3.1
191.10703	1.0
201.09119	1.1
207.10254	100.0
208.10588	6.5
209.11813	11.5
209.70784	0.8
210.12144	1.6
210.41856	0.8
215.07094	0.9
219.10188	1.3
219.13939	1.0
220.47203	0.8
221.06700	3.0
221.11723	1.0
223.09747	3.1
223.13329	1.1
225.11320	55.5
226.11682	3.4
235.08250	2.5
237.11348	1.3
243.12350	2.2
249.14963	0.8
253.09514	1.1
263.12869	2.6
266.54651	0.8
269.29187	0.8
326.38641	0.9
328.58453	0.8
369.20779	1.6
371.18359	1.3
371.22440	1.2
379.12512	1.0
387.22076	1.0
389.19492	1.8
389.24237	1.4
397.13596	11.4
397.20276	3.7
401.74063	0.9
415.14679	4.9
415.21292	9.0
416.21640	1.0
433.22382	4.4
567.23486	1.2
605.24469	4.6
623.25836	8.1
624.25946	1.9
745.23138	0.9
759.34894	2.5
769.33002	9.8
770.33209	1.6
773.36346	1.2
785.35840	3.6
787.33942	15.4
788.34705	3.9
795.34741	14.5
796.34961	4.1
813.35730	66.4
814.36035	14.1
831.36755	49.1
831.52838	1.8
832.37207	9.9
847.37091	1.1
866.57782	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	891.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
62.08136	0.1
63.02275	1.3
65.00183	0.9
67.01775	0.4
67.18798	0.1
68.99699	0.3
70.23040	0.5
71.01270	5.3
71.01670	0.3
72.99194	1.3
73.02832	0.6
75.00767	2.4
83.01273	0.5
84.02084	0.2
85.02842	12.1
86.03168	0.3
87.00770	1.9
89.00240	0.2
89.02312	0.9
93.03359	0.4
95.01278	3.4
99.00778	4.1
99.01428	0.2
101.02336	0.3
103.00277	1.5
105.03322	0.3
107.01295	1.7
111.00795	0.4
113.02356	17.3
114.02708	0.3
115.00290	1.0
117.01887	1.2
117.03369	4.7
121.02837	0.2
129.01878	0.7
135.04449	0.2
139.00224	0.1
149.02376	1.6
151.00308	1.8
155.02135	0.1
155.04945	0.2
157.01344	0.4
157.06497	0.2
159.04471	1.4
161.02377	0.9
169.06534	0.6
169.24049	0.1
171.04457	0.2
175.02434	7.2
176.02699	0.2
180.05768	0.2
181.06567	0.4
183.04456	0.9
196.05229	0.3
197.06021	0.7
199.03952	0.2
201.05573	0.9
203.03304	0.2
213.05534	0.2
223.94617	0.1
224.04781	0.5
225.05591	1.9
227.03461	0.6
238.60268	0.1
241.05241	0.1
268.03806	0.5
269.04608	100.0
270.04953	6.7
270.07980	0.2
311.05908	0.3
358.06369	0.1
445.07840	16.0
446.08188	1.4
883.10577	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03341	1.0
71.01270	15.6
71.47925	0.3
71.48260	0.4
72.99201	1.6
73.02840	2.8
75.00761	0.6
81.03361	0.8
83.01276	1.9
85.02844	4.4
86.03149	0.3
87.00767	4.2
89.02338	12.7
93.03336	0.3
95.01297	1.1
96.95901	0.4
97.02863	2.6
99.00765	1.2
101.02343	11.5
111.04432	0.6
113.02365	7.8
116.92773	0.6
119.03423	3.0
123.08080	0.5
125.02364	6.2
125.09637	1.1
127.11198	2.0
131.03383	0.4
139.03943	0.8
143.03432	2.2
148.05249	0.5
149.04552	0.6
153.09142	0.5
161.04526	3.3
167.03439	0.6
171.10219	100.0
172.10559	4.0
179.05591	3.9
181.05006	0.4
185.11852	0.6
199.06123	0.4
209.11792	1.9
210.12184	0.4
217.07166	1.5
221.06654	1.1
235.08220	6.0
253.09331	0.8
259.08264	1.3
263.07788	0.5
277.21777	54.0
278.22116	4.3
279.23325	0.6
287.07813	2.4
305.08743	2.3
323.09741	1.7
361.11313	0.4
379.12549	16.1
380.12967	1.2
397.13586	39.0
398.13867	2.8
415.14618	7.4
416.15009	0.4
537.59540	0.4
551.23340	5.3
569.24548	4.6
657.35089	1.2
675.36041	2.0
676.36243	0.5
707.37598	0.4
829.47247	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4299
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	2.4
65.08897	0.7
69.02974	1.0
69.03286	3.6
71.01267	14.8
71.04921	1.6
71.55058	1.3
72.99188	1.4
73.02840	2.3
75.00764	1.1
81.03366	1.0
81.94815	0.6
83.01279	1.3
83.04908	1.1
85.02799	3.2
87.00765	2.9
89.02338	13.4
95.01283	1.3
95.04912	0.8
96.95913	14.1
97.02837	1.7
98.95480	2.5
101.02345	10.5
113.02328	5.0
116.92777	3.3
119.03407	2.5
125.02378	3.8
141.53270	0.7
143.03481	1.8
146.78464	0.7
149.09573	1.1
161.04465	2.1
167.10680	4.6
169.12271	0.8
171.10272	0.9
175.88667	0.6
177.12804	1.2
179.05563	3.9
179.10774	1.9
179.14352	4.2
195.12279	1.2
195.13904	12.8
197.11795	6.0
205.12326	10.6
209.11720	1.6
211.13263	0.8
221.06529	1.0
223.13399	100.0
224.13699	5.1
235.08220	2.1
248.14699	0.8
271.17545	0.8
287.07626	1.2
291.08209	0.7
291.19910	1.3
293.21570	0.9
305.08746	0.9
309.20734	3.2
323.09766	1.1
327.21848	0.9
341.23206	0.8
379.12643	4.7
385.42969	0.7
397.13614	24.9
398.13983	1.6
415.14682	4.4
429.26407	1.6
529.82172	0.8
603.26672	14.5
604.27209	2.5
621.27765	18.9
622.28070	2.1
783.38141	0.8
809.39459	6.6
810.39594	1.1
827.40857	8.0
828.41040	1.5
916.99237	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	885.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.1
67.01775	0.1
67.26130	0.1
68.99704	0.2
69.02464	0.1
69.03339	0.7
70.85631	0.2
71.01270	13.1
71.04913	0.2
72.01591	0.2
72.99194	1.0
73.02834	1.9
74.32519	0.1
75.00768	0.3
80.02576	1.1
81.03349	1.9
83.01278	1.8
83.04916	5.2
84.02055	0.7
84.05263	0.1
85.02841	2.8
87.00774	3.1
87.04411	0.2
89.02338	10.6
90.02673	0.1
91.03911	0.1
93.03374	0.2
95.01289	0.9
95.04933	0.7
97.02850	2.0
99.00775	0.8
99.04433	0.2
101.02345	9.7
102.02679	0.2
109.02834	0.3
109.06522	0.3
111.00789	0.3
111.04436	0.3
111.08071	0.2
113.02355	5.6
115.03919	0.2
119.03416	3.0
121.02876	0.2
125.02373	4.8
125.05991	0.5
125.09648	0.1
126.02687	0.2
127.03943	0.2
127.07596	0.2
129.01797	0.2
131.03458	0.6
132.51688	0.1
133.04987	0.2
135.08099	0.6
137.02393	0.2
139.03946	0.5
141.01849	0.3
143.03430	2.3
145.04997	0.2
149.02419	0.2
149.04475	0.3
159.02927	0.1
161.03209	0.2
161.04509	3.1
163.11234	4.2
164.11647	0.2
165.11539	0.2
165.12813	2.2
167.03450	0.3
179.05568	3.6
181.05006	0.1
181.12300	0.5
185.04500	0.2
191.10757	1.0
191.87482	0.1
199.06032	0.6
204.80034	0.1
209.11816	100.0
210.12151	6.2
217.07130	0.7
217.66322	0.1
219.05008	0.2
221.06668	1.6
225.11224	0.2
227.12889	11.1
228.13307	0.7
229.14629	0.1
233.11841	0.2
233.22867	0.1
235.08240	4.3
236.08521	0.2
245.06645	0.2
251.12929	0.8
253.09317	0.7
259.08292	0.4
259.20636	0.2
263.07782	0.4
269.06848	0.1
275.20233	0.1
277.21774	40.7
278.18973	0.2
278.22110	4.1
287.07788	1.4
291.23395	0.3
298.96228	0.1
301.09262	0.2
305.08868	1.6
319.22882	0.1
323.09866	1.1
341.11053	0.2
361.11484	0.2
379.12518	6.0
380.12833	0.4
397.13580	30.3
398.13947	2.6
413.17990	0.2
415.14661	7.9
416.15039	0.7
549.91931	0.1
589.24976	0.9
607.26282	1.7
608.26514	0.3
613.23792	0.1
657.35303	0.2
675.35760	0.4
858.38458	0.1
885.47821	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03347	1.1
70.94722	0.4
71.01268	14.5
71.04910	0.3
72.01596	0.1
72.99198	1.3
73.02832	2.3
75.00764	0.4
80.02570	1.2
80.96406	0.2
81.03345	1.8
83.01279	1.5
83.04919	5.1
84.02059	0.9
85.02843	3.9
86.00024	0.2
87.00771	3.8
89.02336	13.1
90.02660	0.2
91.03891	0.2
93.03324	0.3
95.01279	1.2
95.04944	0.6
97.02851	2.3
97.06451	0.2
99.00790	0.9
99.04427	0.2
101.02345	11.5
102.02692	0.2
109.02862	0.4
109.06499	0.3
109.41944	0.1
111.00803	0.2
111.04436	0.3
111.08066	0.3
113.02357	7.0
114.02619	0.2
115.03896	0.3
119.02578	0.2
119.03426	3.6
119.14157	0.1
121.02828	0.2
123.04456	0.2
124.01572	0.2
125.02368	5.8
125.05979	0.7
125.09596	0.1
126.02710	0.2
127.03904	0.3
127.07581	0.2
131.03445	0.6
133.04994	0.3
133.50134	0.2
135.08136	0.7
137.02383	0.1
139.03938	0.5
139.73524	0.1
141.01886	0.4
143.03430	2.5
145.04993	0.2
147.11809	0.1
149.04500	0.4
149.09683	0.1
157.05083	0.1
161.04506	3.0
163.11229	4.0
164.11510	0.3
165.12794	2.5
167.03410	0.3
169.04922	0.2
171.03050	0.1
173.09663	0.2
179.05571	3.4
181.12294	0.5
191.10796	0.9
199.06038	0.5
199.13348	0.2
203.05527	0.2
209.11813	100.0
210.12144	5.3
217.07201	0.9
219.05202	0.2
221.06668	1.4
223.13176	0.1
225.11169	0.2
227.12880	12.3
228.13254	0.4
233.22716	0.3
235.08243	5.3
245.06734	0.4
251.12973	0.5
253.09343	1.0
259.08276	0.5
259.20685	0.2
263.07779	0.4
277.21774	48.0
278.22107	4.2
287.07745	1.6
291.23297	0.3
301.09216	0.2
305.08859	1.9
305.86166	0.1
323.09863	0.9
361.11520	0.2
379.12543	7.0
380.12869	0.5
397.13580	36.5
398.13895	2.6
415.14639	8.6
416.14844	0.7
463.97964	0.1
589.25085	0.6
607.26202	1.1
657.35382	0.2
675.36157	0.7
885.47864	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4716
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98717	2.6
69.03323	0.1
70.14138	0.1
71.01261	1.3
71.56055	0.2
72.99178	0.2
73.02837	0.2
75.00755	0.2
78.95837	0.2
79.95638	0.1
80.02557	1.0
81.03341	1.2
83.01268	0.4
83.04914	4.7
84.02058	0.8
85.02834	0.4
87.00779	0.4
88.19180	0.1
88.98656	0.2
89.02328	0.5
93.03362	0.3
95.04926	0.8
96.95909	2.2
97.02831	0.3
101.02332	1.0
104.32457	0.2
108.75700	0.1
109.06487	0.3
113.02354	0.6
113.61552	0.1
114.65611	0.1
119.03396	0.1
123.08054	0.2
125.02422	0.2
125.05977	0.5
125.09633	0.6
133.52728	0.1
135.08096	1.0
141.93552	0.1
143.03467	0.2
147.11671	0.2
149.09575	0.2
161.04474	0.4
163.11232	4.1
165.12801	2.7
171.08762	0.3
171.10213	4.3
172.10556	0.2
179.05594	0.2
181.12321	0.9
191.10754	0.9
197.11899	0.2
207.10196	0.3
209.11813	100.0
210.12138	4.5
221.11801	0.4
223.13409	0.2
225.11359	0.2
227.12885	15.7
228.13205	0.6
229.12373	0.2
235.08264	1.2
239.12842	0.2
247.13438	2.1
248.13737	0.2
249.15082	0.2
253.09286	2.1
265.14542	0.9
272.07407	0.2
331.22736	0.2
375.21906	0.3
401.23425	0.4
419.24374	0.5
437.25513	0.3
445.20755	1.4
446.21216	0.2
611.31213	0.2
619.31787	0.2
637.32269	0.8
655.33575	0.5
760.16901	0.2
829.43652	0.2
847.45209	0.6
865.46649	0.3
883.46527	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	4.9
66.71989	0.3
68.99699	0.3
69.03341	1.7
70.35197	1.5
71.01265	26.3
72.01613	0.4
72.99190	2.2
73.02831	4.5
75.00762	0.9
80.02566	1.1
80.96404	0.9
81.03345	3.6
83.01283	3.0
83.04906	2.6
85.02834	6.6
87.00767	5.4
87.04401	0.4
89.02335	17.9
93.03348	0.6
94.19653	0.3
95.01280	1.5
95.04949	0.7
97.02847	12.5
97.06464	0.6
98.03171	0.3
99.00791	3.0
99.04461	0.6
101.02341	18.2
102.02690	0.4
106.04185	0.7
107.04940	0.7
109.02853	0.9
109.06497	27.8
110.03643	1.7
110.06832	0.8
111.00797	0.7
111.04427	0.8
113.02354	9.9
114.02650	0.3
115.03951	0.5
119.03410	5.1
121.02854	0.5
121.06509	1.8
123.00796	0.6
123.04424	1.2
124.01538	0.6
125.02364	8.0
125.09649	1.0
127.03893	0.4
127.07543	0.4
129.01855	0.5
131.03447	1.2
133.06435	0.4
135.08083	3.5
136.05232	2.4
137.02274	0.4
139.03954	0.5
141.01808	1.2
142.02681	2.9
143.03450	3.0
145.10161	0.6
149.04474	0.4
161.04503	4.9
161.09695	2.0
163.11221	17.2
164.11577	1.1
165.09187	0.4
171.41148	0.4
179.05554	5.9
179.10809	1.1
181.12312	3.9
182.12611	0.4
189.09164	1.8
201.11256	1.4
207.10243	100.0
208.10609	4.6
209.11790	3.6
210.12141	0.9
217.07132	1.3
221.06609	1.9
225.11319	38.4
226.11613	1.7
227.12814	0.5
235.05818	0.4
235.08234	6.7
243.12502	1.8
245.06825	0.4
253.09302	1.5
255.23320	1.2
256.23499	1.0
259.08185	0.6
263.07840	0.5
277.21771	69.0
278.22104	5.3
281.13947	0.8
287.07858	2.0
294.21631	0.5
299.15076	1.4
305.08844	2.2
309.20685	0.5
319.22592	0.5
321.08316	0.6
323.09717	1.7
379.12488	8.3
397.13580	58.6
398.13916	4.8
399.13812	0.6
415.14658	14.9
416.14963	0.9
433.47464	0.3
441.33838	0.8
443.19159	0.6
552.79138	0.3
559.36615	0.4
587.23676	1.4
605.24561	7.2
606.25067	0.9
623.25684	4.9
624.25635	0.6
657.34894	1.0
675.36285	2.2
676.35791	0.5
721.42444	0.4
777.06702	0.4
865.46039	2.4
866.46356	0.6
883.47089	61.3
884.47406	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	883.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98713	3.8
63.15935	0.2
68.99728	0.3
69.03342	2.0
71.01270	23.8
71.56215	0.4
72.01606	0.4
72.99200	2.0
73.02833	4.1
75.00751	0.9
79.99911	0.2
80.02569	1.4
80.96405	0.4
81.03347	3.6
83.01273	2.8
83.04910	3.1
84.02063	0.3
85.02840	6.5
87.00776	5.5
89.02335	16.8
91.03890	0.4
93.03341	0.7
95.01283	1.7
95.04925	0.9
97.02848	11.5
97.06477	0.3
98.03104	0.2
99.00777	2.3
99.04456	0.4
101.02345	17.3
107.04927	1.3
109.02885	0.8
109.06499	35.4
110.03646	1.6
110.06843	0.9
111.00774	0.8
111.04452	0.6
113.02359	8.8
114.02694	0.3
115.03865	0.3
119.03416	4.3
121.02839	0.5
121.06527	2.3
123.00822	0.4
123.04433	0.8
123.08070	0.5
125.02365	6.2
125.09612	0.8
129.01880	0.4
131.03430	1.2
133.04987	0.3
135.08073	4.3
136.05222	1.9
139.03914	0.6
141.01851	1.4
142.02646	3.0
143.03421	3.2
145.10184	0.4
147.08153	0.3
149.04463	0.5
159.02858	0.3
161.04497	4.2
161.09636	2.0
163.11232	20.7
164.11530	0.8
165.09143	0.4
167.03435	0.4
179.05568	5.7
179.10721	0.8
181.12289	5.7
185.15810	0.3
189.09151	2.8
197.11943	0.3
199.06093	0.5
201.11316	1.2
202.11635	0.5
205.32430	0.3
207.10246	100.0
208.10597	5.0
209.11787	5.0
210.12210	0.9
217.07112	0.9
219.05116	0.4
221.06644	3.1
225.11320	48.2
226.11661	2.5
227.12866	0.5
235.08234	5.2
243.12396	1.7
249.11340	0.7
253.09221	1.3
255.23314	1.1
256.23660	0.9
259.08148	0.4
259.20724	0.5
263.07806	0.7
277.21768	52.6
278.22144	3.9
281.14029	1.1
287.07864	2.0
291.23315	0.3
299.15115	1.5
305.08939	1.8
323.09943	1.2
379.12576	5.9
380.12872	0.8
397.13593	38.4
398.13876	3.1
415.14670	12.6
416.14908	1.2
423.32507	0.3
441.33832	0.8
443.19305	0.7
461.20340	0.6
486.80661	0.3
587.23346	1.7
605.24579	7.4
606.24799	1.0
623.25580	7.8
624.25958	1.1
657.35413	0.4
675.36279	1.1
703.41003	0.4
780.41315	0.3
865.46149	1.9
883.47131	52.5
884.47345	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	881.4563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98709	4.2
64.12807	0.3
65.03844	0.5
66.55430	0.4
69.03316	0.7
71.01260	3.3
71.04898	0.4
71.58627	0.8
73.02836	0.5
74.76437	0.4
75.00765	0.5
75.31190	0.4
80.02551	1.7
81.03352	2.5
83.04909	7.3
84.02038	1.5
85.02847	1.6
87.00743	0.5
88.98724	0.4
89.02345	1.0
93.03354	1.9
94.92402	0.8
95.04919	1.5
96.95915	2.0
97.02825	3.0
97.06448	0.5
101.02348	1.1
107.04894	0.8
109.05816	0.7
109.06502	10.0
110.03618	0.6
110.06804	0.6
111.04416	1.1
113.02307	1.0
121.06496	1.2
123.08064	0.7
125.05990	1.2
125.09599	2.0
135.08092	2.2
142.02599	1.3
145.10187	0.4
161.04454	0.6
161.09703	1.2
163.11230	10.7
165.12770	2.8
171.10220	4.5
181.12267	2.6
185.11800	1.7
187.09712	0.6
191.10748	1.7
197.11760	0.5
207.10243	22.5
208.10497	1.2
209.11807	100.0
210.12152	5.0
211.13402	0.6
217.12381	1.2
219.10191	0.5
221.11774	0.9
223.13399	0.7
225.11319	12.0
225.13585	0.6
226.11659	1.1
227.12881	19.5
228.13213	0.9
231.10252	1.4
235.08234	1.9
235.13454	1.2
245.11816	1.3
247.13402	1.2
249.11404	0.7
253.09378	2.4
257.04196	0.4
263.12958	2.4
265.14426	0.8
294.74228	0.5
355.22717	0.5
355.49039	0.4
389.23569	0.6
391.21204	0.6
399.21777	2.4
417.23026	3.3
435.23831	0.6
443.19168	0.7
445.20859	0.9
461.20407	0.7
617.29871	1.2
635.30695	7.5
636.31549	0.5
653.32104	5.2
654.32123	1.1
671.32831	3.6
827.42517	1.6
828.42456	0.6
837.43237	0.5
845.43347	4.6
846.44324	1.4
863.44458	9.4
864.45544	1.4
881.45526	9.6
882.46033	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	881.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98711	2.0
67.01768	0.7
69.03351	4.9
69.67110	4.2
70.98631	0.6
71.01270	21.5
71.04903	2.5
71.59961	0.7
72.99191	2.5
73.02841	3.4
75.00761	1.4
80.02559	2.1
81.03347	2.8
83.01265	2.3
83.04915	7.7
84.02063	1.1
85.02840	5.2
87.00775	4.6
89.02340	15.1
93.03337	0.8
95.01295	1.9
95.04927	1.5
96.95932	1.4
97.02840	3.3
97.06499	1.1
98.20573	0.7
99.00773	2.2
101.02344	12.5
105.99948	0.6
109.06480	1.0
111.00809	1.0
111.04371	1.0
113.02341	6.3
116.92817	0.7
119.03422	3.7
121.02848	0.8
121.99771	0.7
123.08052	1.3
125.02351	3.6
125.09653	3.6
131.03384	1.0
135.08119	1.1
143.03455	1.0
151.11211	2.7
153.12778	1.5
161.02373	0.8
161.04443	1.3
161.09662	5.6
163.11247	5.5
165.12819	3.3
166.67795	0.6
171.10211	0.8
179.05469	1.4
179.10732	9.2
180.11060	0.7
181.12277	0.9
181.83531	0.6
191.10786	1.3
197.11804	79.9
198.12144	4.9
209.11810	88.0
210.12140	4.4
211.13332	0.8
211.69513	0.6
221.06647	2.9
223.09766	2.0
225.11234	1.3
227.12839	5.1
235.08180	1.6
237.15018	0.8
241.10872	6.1
253.09277	0.8
317.20792	0.6
397.13693	3.8
415.14780	1.6
531.28589	0.7
639.25757	1.1
649.88452	0.7
702.30243	0.6
849.37787	100.0
850.38202	21.0
881.40369	62.6
882.40594	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	879.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98712	6.8
61.99398	1.2
67.15160	1.0
69.03329	2.4
71.01266	12.9
71.56596	1.1
71.57029	1.3
73.02840	2.5
78.95791	3.0
80.96422	1.8
81.03347	1.4
83.01254	2.3
85.02840	2.8
87.00786	1.9
89.02337	5.5
95.04922	1.0
97.02827	2.1
97.06484	3.5
101.02348	7.9
109.06492	1.4
113.02365	5.6
113.38580	1.2
119.03378	1.8
123.04418	1.6
123.08115	1.8
124.29631	1.1
125.02373	1.5
125.09631	3.7
132.25816	1.1
137.09662	2.3
140.76048	1.2
143.03380	2.4
143.55511	1.1
161.04547	3.3
163.11220	5.2
171.10248	14.1
172.68188	1.3
179.05518	1.9
179.14423	1.5
181.12340	1.3
185.11795	5.0
191.14355	4.1
195.13898	6.9
201.11275	2.6
207.10272	4.8
209.11797	12.2
210.12044	1.2
211.13358	2.1
223.13472	5.3
225.11333	7.5
235.08214	3.6
237.11456	2.3
243.12404	1.5
245.19118	9.8
249.20128	1.4
253.09309	23.0
255.23311	14.8
256.13245	1.1
256.23718	1.4
263.20154	4.1
275.20111	6.0
277.21756	1.6
289.18155	62.7
290.18539	6.8
291.19684	1.9
293.21289	100.0
294.21613	10.5
305.17859	1.1
307.19205	59.8
308.19534	5.7
379.12558	2.4
397.13565	9.0
398.14072	2.0
415.14609	2.2
487.81973	1.2
525.26801	2.9
543.27679	2.0
559.26013	1.2
801.47174	1.3
819.49878	2.6
861.48743	2.3
879.48987	7.7
880.49054	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	879.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98716	1.8
67.62679	0.7
68.08306	0.8
69.03326	1.6
70.72040	2.3
70.72393	0.8
71.01266	18.5
72.99203	1.8
73.02831	2.7
75.00760	0.9
78.45676	0.8
78.95814	1.4
81.03336	1.2
83.01279	2.7
85.02833	4.9
85.18145	0.9
87.00779	4.2
89.02336	16.2
89.47309	0.8
95.01279	2.1
95.04946	1.1
96.95874	1.0
97.02857	4.2
97.06489	2.8
99.00773	15.4
101.02341	16.1
109.06502	3.0
110.03631	0.8
111.08071	1.9
113.02364	8.4
119.03461	4.2
125.02337	3.3
125.09629	6.6
127.11176	1.5
131.03450	1.4
142.02687	1.2
143.03389	1.4
144.14709	0.8
145.05006	0.9
149.04544	0.9
161.04501	2.5
163.11227	7.1
171.10196	15.7
179.05528	2.3
179.10645	0.8
181.12286	10.4
195.13934	1.6
197.11794	4.6
199.09818	0.9
199.13365	10.5
199.19350	0.9
201.11365	4.5
207.10252	26.3
208.10596	2.1
209.11880	1.3
211.13272	1.1
221.06627	1.2
225.11316	43.1
226.11621	2.4
235.08257	3.2
243.12381	9.8
253.09293	2.6
255.23332	63.0
256.23651	6.0
263.20370	0.8
291.19748	16.2
292.20172	0.9
293.21155	2.8
309.20844	7.3
323.10104	1.0
379.12524	3.5
397.13574	14.8
415.14514	4.0
521.13666	0.9
527.28705	1.8
558.49188	1.0
571.96069	1.0
579.86609	0.9
605.24371	2.1
623.25922	1.5
653.37708	1.7
861.48615	13.6
862.48999	3.1
864.15796	1.0
879.49768	100.0
880.50232	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	877.4824
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98698	0.6
69.03336	3.7
71.01267	13.6
71.04898	1.8
72.99181	1.8
73.02840	2.7
74.17764	0.4
78.95821	0.6
81.03345	0.7
83.01270	1.5
85.02847	3.7
87.00776	2.6
89.02335	9.2
89.64051	0.4
93.32785	0.5
95.01265	0.9
97.02845	1.7
97.06496	0.9
97.67845	0.5
99.00797	0.7
101.01707	0.7
101.02348	10.1
109.02870	0.6
111.04408	0.9
111.70809	0.5
113.02376	4.2
116.92769	0.6
119.03428	2.3
123.08075	1.0
125.02379	2.2
125.09632	1.5
143.03430	0.7
143.18469	0.5
151.11264	2.3
153.12813	1.2
155.37692	0.5
161.04457	0.8
161.09679	2.6
171.10149	0.8
175.67853	0.4
179.05537	1.0
179.10744	4.6
197.11815	58.1
198.12180	3.2
209.11807	0.7
221.06648	2.4
223.09692	1.2
235.08180	0.8
241.10822	4.0
255.23335	31.2
256.23676	2.8
277.21774	0.6
293.21265	1.1
397.13470	1.8
639.25696	0.7
859.47766	0.8
877.48218	100.0
878.48541	22.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4823
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98719	0.6
67.01781	0.4
69.03342	5.2
70.72202	0.3
70.72565	1.1
71.01270	14.8
71.04910	1.2
72.99202	1.7
73.02852	1.9
75.00760	0.4
78.85323	0.3
81.03344	0.6
83.01283	1.5
83.04918	0.7
85.02840	3.2
87.00774	2.7
89.02339	8.6
95.01283	0.8
95.04906	0.6
97.02840	2.2
97.06501	0.9
99.00773	1.3
100.73427	0.3
101.02347	9.4
109.00500	0.3
111.04417	0.7
113.02364	3.9
114.15575	0.3
116.68633	0.3
119.03432	1.9
121.02869	1.5
123.08073	1.1
125.02380	2.2
125.09669	2.0
125.10457	0.4
125.45671	0.3
132.91078	0.3
137.09659	0.4
141.01804	0.6
143.03442	0.8
149.09612	0.4
151.11227	2.8
153.12753	1.0
161.04483	1.0
161.09671	3.8
162.00551	0.3
167.28761	0.4
179.05618	0.6
179.10730	5.5
190.27057	0.3
197.11812	35.3
198.12157	1.9
209.11797	1.0
221.06677	1.2
223.09741	1.2
225.99152	0.4
235.08220	0.9
241.10899	1.8
249.54936	0.4
253.09245	0.5
255.23329	45.5
256.23682	4.1
324.32248	0.3
379.12466	0.5
397.13348	1.7
409.92862	0.4
415.14789	0.6
877.48206	100.0
878.48547	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02274	1.3
65.00194	0.7
68.99703	0.2
69.41238	1.0
71.01271	5.3
71.01669	0.3
71.46913	0.1
72.99201	1.3
73.02840	0.5
75.00764	2.8
83.01291	0.5
84.02061	0.2
85.02843	12.4
86.03183	0.1
87.00765	1.6
89.02333	0.8
93.03334	0.3
95.01282	3.3
96.95920	0.8
99.00777	3.8
100.01134	0.2
101.02290	0.3
103.00275	1.8
103.97089	0.1
105.03381	0.2
107.01302	1.1
111.00784	0.3
113.02354	23.7
114.02702	0.6
115.00295	1.0
117.01868	1.3
117.03361	3.3
118.03719	0.2
119.15912	0.1
120.63696	0.1
121.02863	0.3
129.01881	1.0
130.60333	0.2
135.04419	0.2
139.00296	0.5
147.00769	0.1
149.02361	1.3
151.00310	1.7
157.01363	0.5
159.04474	1.5
161.02377	0.8
169.06528	0.4
174.26306	0.1
175.02434	13.0
176.02777	0.3
181.06557	0.4
183.04446	0.7
191.03442	0.2
195.04602	0.2
196.05299	0.3
197.06035	0.5
201.05540	0.5
211.03947	0.1
224.04736	0.3
225.05583	1.5
227.03535	0.7
228.03749	0.1
240.04387	0.2
241.04958	0.2
255.03056	0.2
268.03815	5.2
269.04596	100.0
270.04941	8.0
283.02481	0.2
284.03467	0.1
285.04111	0.4
311.05676	0.3
408.38535	0.1
431.09900	5.7
432.10211	0.5
445.07843	30.8
446.08206	3.4
447.10007	0.2
715.12756	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	871.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	2.0
69.03345	0.9
70.59959	1.4
70.60314	1.3
71.01270	16.0
71.86098	0.8
72.85771	0.7
72.99180	2.0
73.02833	2.6
74.79029	0.6
75.00734	1.0
80.01743	0.6
81.03336	1.1
83.01278	1.6
85.02838	4.6
87.00768	2.9
89.02338	13.9
95.01225	0.9
97.02838	2.0
97.06474	3.2
98.87909	0.7
99.00797	1.1
101.01701	1.0
101.02348	11.8
110.65414	0.6
111.04383	1.1
113.02364	6.1
116.05865	0.8
116.92736	0.8
119.03441	3.9
125.02355	2.2
131.03371	1.0
143.03371	1.0
151.11218	12.7
161.04514	1.1
169.12303	69.4
170.12610	3.1
179.05530	1.0
195.10228	0.8
211.13313	0.8
213.11307	9.6
221.06665	4.0
233.22612	0.6
235.08203	0.8
253.09142	1.0
266.90182	0.7
270.04727	0.7
277.21783	17.5
278.21967	1.8
289.18201	1.0
293.21289	1.8
305.17877	1.2
309.02908	0.8
309.20700	0.8
320.34589	0.8
397.13535	2.2
415.14636	1.1
433.19046	0.8
611.25574	2.6
639.27545	0.8
871.47125	100.0
872.47394	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98706	0.3
68.99723	0.1
69.03339	0.8
71.01267	8.2
71.04881	0.2
72.99192	0.7
73.02831	1.2
75.00751	0.3
77.44091	0.2
78.95785	0.4
80.02567	1.2
81.03353	1.5
82.03752	0.2
83.01276	0.9
83.04913	4.9
84.02065	0.8
85.02838	1.3
87.00774	2.1
88.13918	0.1
89.02335	7.0
93.03336	0.3
95.01272	0.4
95.04922	0.8
96.95915	0.3
97.02855	1.2
97.06483	0.2
99.00805	0.4
101.02342	6.1
102.02638	0.1
104.13957	0.1
105.95238	0.2
108.03966	0.2
109.06498	0.5
111.04424	0.3
111.07957	0.2
113.02348	3.5
119.03416	1.7
121.02880	0.2
124.01557	0.1
125.02359	2.4
125.06001	0.4
125.09621	0.4
131.03419	0.5
135.04549	0.2
135.08084	0.7
141.01747	0.3
143.03421	1.2
147.71654	0.1
149.04503	0.2
161.04523	1.9
162.04918	0.2
163.11229	4.5
164.11604	0.2
165.12788	2.3
169.05093	0.2
171.10202	0.6
179.05579	2.1
181.12274	0.6
189.12781	0.2
191.10768	1.3
197.11813	0.2
199.13362	0.2
201.11278	0.5
207.10237	0.3
209.11810	100.0
210.12157	5.8
217.07166	0.4
221.06604	0.7
223.09697	0.3
225.11259	0.3
227.12881	15.8
228.13240	0.9
235.08255	2.0
237.85378	0.2
247.13333	0.2
251.12935	0.3
253.09250	0.5
259.08328	0.2
259.15671	0.3
263.07785	0.3
265.14420	0.2
287.07849	0.7
305.08768	1.0
323.09869	0.6
368.49985	0.2
379.12524	3.6
397.13565	21.2
398.14029	1.6
401.17404	0.2
401.23691	0.2
415.14670	5.4
416.15039	0.3
427.20111	0.2
461.01163	0.1
562.40198	0.2
589.24951	1.2
607.26178	3.1
608.26263	0.4
799.37451	0.6
817.39142	0.3
835.39728	0.4
849.37189	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98712	1.9
67.01761	0.6
69.03348	1.5
69.38788	0.6
70.77470	1.2
71.01270	18.3
71.04909	0.7
72.99189	2.7
73.02842	3.3
75.00763	1.7
78.95793	0.7
80.02567	2.5
81.03345	4.5
83.01281	2.2
83.04920	9.2
84.02058	2.0
85.02845	5.0
87.00762	4.1
89.02340	14.1
93.03348	1.3
95.01283	0.9
95.04903	1.7
96.95944	3.0
97.02858	8.7
99.00790	2.1
101.02343	13.0
109.02874	0.6
109.06504	24.9
110.03659	0.7
110.06837	0.9
111.04408	0.6
113.02338	7.1
119.03405	3.8
121.06511	1.5
123.04407	1.1
123.08098	0.9
125.02379	5.5
125.06013	0.9
125.09668	1.8
135.08078	3.9
136.05272	0.8
139.03848	0.8
141.01854	1.6
142.02647	2.9
143.03477	1.5
161.04527	2.2
161.09642	2.3
163.11238	18.2
164.11545	0.8
165.09137	0.8
165.12802	2.1
167.32480	0.7
171.10304	1.0
179.05551	4.2
181.12305	5.3
185.11790	1.0
189.09094	1.4
191.05595	8.0
191.10715	1.1
197.11781	2.7
199.13284	0.6
201.11241	0.8
207.10251	65.5
208.10580	3.3
209.11819	100.0
210.12122	5.5
221.06683	2.4
223.13435	1.1
225.11324	35.1
226.11653	2.2
227.12877	12.9
228.13185	1.4
235.08278	3.1
243.12447	2.3
247.13464	1.2
249.11479	1.1
253.09372	1.2
255.23373	0.9
263.13123	1.0
265.07635	0.7
287.07712	0.9
323.09872	1.1
355.23001	0.8
379.12650	3.6
397.13559	27.4
398.13812	1.7
399.21719	2.4
415.14719	8.6
416.14893	0.7
417.22650	3.3
453.09155	0.7
471.43655	0.7
587.23193	1.3
603.97290	0.6
605.24829	4.8
607.26086	2.5
623.25568	5.9
624.25934	0.7
645.52637	0.7
797.36206	18.1
798.36499	3.6
815.37384	20.4
816.37836	4.8
828.06274	0.8
833.38342	33.6
834.38507	8.3
865.51221	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02282	0.4
63.64061	0.2
65.00226	0.3
67.31680	0.2
69.68508	1.4
75.00777	0.2
83.01269	0.4
85.87354	0.2
91.17691	0.2
91.81460	0.2
98.19874	0.4
101.87006	0.2
101.87807	0.2
107.01281	1.0
121.02856	0.3
133.02890	1.9
134.03648	0.4
137.02367	0.3
149.02382	0.7
151.00302	2.1
151.03931	0.2
171.04509	0.2
175.03969	0.9
188.04524	0.2
199.03979	0.8
201.01942	0.3
211.04004	0.3
213.33594	0.2
217.05014	0.7
227.03514	0.5
228.04257	0.3
239.03447	0.3
240.04340	0.3
241.05138	0.4
243.03076	0.4
255.03055	0.6
256.03821	1.7
257.04324	0.3
267.02917	0.4
269.04440	0.2
283.02600	0.5
284.03333	36.0
285.04102	76.2
286.04437	6.8
287.04639	0.5
297.03967	0.3
323.41565	0.2
327.05042	1.0
331.17670	0.3
373.19009	0.3
403.67038	0.2
417.17429	0.3
447.09418	100.0
448.09747	11.0
448.16077	0.4
449.09921	1.2
481.08060	0.2
522.26642	0.2
535.37946	0.2
650.73651	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	863.503
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99710	0.1
69.03345	0.8
71.01266	11.8
71.04898	0.1
71.48249	0.2
72.01591	0.2
72.99188	1.1
73.02839	1.8
75.00756	0.3
80.02557	1.2
81.03349	1.5
83.01271	1.5
83.04916	4.9
84.02043	0.7
85.02840	3.2
87.00774	3.0
87.04419	0.2
89.02335	9.8
90.02673	0.2
91.03895	0.3
93.03334	0.2
95.01272	1.0
95.04906	0.7
95.54484	0.1
97.02842	2.1
99.00791	0.7
99.04450	0.3
101.02342	10.1
102.02676	0.2
107.04833	0.1
109.02846	0.3
109.06499	0.2
111.00751	0.2
111.04414	0.4
113.02352	5.7
115.03899	0.2
119.03417	3.1
121.02870	0.3
123.00805	0.1
123.04441	0.2
124.01585	0.2
125.02365	5.2
125.05996	0.5
127.03922	0.3
131.03415	0.5
133.04964	0.3
135.08049	0.5
139.03918	0.3
141.01852	0.3
143.03447	2.1
145.05009	0.2
147.11714	0.2
149.04459	0.5
161.04497	3.1
163.11229	3.9
164.11545	0.2
165.12787	2.2
167.03453	0.3
169.04993	0.2
179.05553	3.7
180.06021	0.1
181.12296	0.6
185.04449	0.3
191.10677	0.9
199.06128	0.3
207.10240	0.2
209.11810	100.0
210.12148	5.8
217.07143	0.8
219.05042	0.2
221.06676	1.5
223.13440	0.1
227.12888	11.4
228.13223	0.7
235.08241	4.4
236.08443	0.2
245.06801	0.3
251.12927	0.6
253.09273	0.7
255.23322	41.1
256.23666	3.3
259.08243	0.7
263.07687	0.3
269.13977	0.2
269.22046	0.1
269.24936	0.3
277.09290	0.1
287.07727	1.9
301.09341	0.2
305.08813	2.1
323.09869	1.1
341.11111	0.2
361.11465	0.2
379.12500	8.4
380.13037	0.7
397.13568	31.2
398.13867	2.4
413.18243	0.2
415.14667	7.3
416.15018	0.6
589.24780	1.2
590.25958	0.2
607.26208	1.7
608.26526	0.2
635.36804	0.4
653.37781	1.0
654.37567	0.2
853.68939	0.1
863.49689	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5025
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01580	0.2
68.99697	0.1
69.03344	1.0
70.58667	0.3
70.59024	0.3
70.67928	0.1
71.01269	16.5
71.04894	0.3
72.01596	0.2
72.99198	1.3
73.02834	2.7
74.03168	0.1
75.00764	0.4
80.02556	1.1
81.03355	1.5
82.49746	0.1
83.01279	2.0
83.04915	4.8
84.01627	0.1
84.02040	0.7
85.02839	4.0
85.99960	0.1
87.00233	0.2
87.00772	4.8
89.02336	14.3
90.02705	0.2
91.03902	0.3
93.03349	0.3
95.01294	1.4
95.04929	0.7
97.02854	2.8
97.06528	0.2
99.00777	0.9
99.04401	0.2
101.02345	12.4
102.02705	0.2
109.02857	0.4
109.06503	0.4
111.00776	0.3
111.04408	0.6
113.02354	7.1
114.02713	0.2
115.03916	0.2
119.02572	0.3
119.03412	4.0
121.02905	0.2
123.04465	0.2
124.01566	0.2
125.02361	5.9
125.05996	0.5
125.09629	0.2
127.03914	0.3
131.03439	0.5
133.04965	0.4
135.08092	0.6
137.02386	0.2
139.03935	0.6
141.01843	0.5
143.03432	2.3
145.04980	0.3
147.11743	0.2
149.02350	0.2
149.04482	0.5
161.04497	3.2
163.11237	3.4
164.11543	0.2
165.12801	2.1
166.13112	0.2
167.03416	0.5
169.05090	0.2
171.02896	0.2
179.05560	3.2
179.07077	0.1
181.12265	0.5
185.04533	0.2
191.10774	0.9
199.06119	0.5
203.05702	0.2
209.11813	100.0
210.12166	6.6
217.07153	0.8
221.06641	1.2
223.13429	0.1
227.12886	13.1
228.13277	0.7
235.08250	5.1
236.08609	0.5
245.06700	0.4
251.12918	0.4
253.09277	0.7
255.23323	53.7
255.52682	0.1
256.23648	4.6
259.08304	0.5
263.07816	0.2
269.24911	0.5
287.07779	1.9
301.09430	0.3
305.08792	1.7
323.09918	1.1
330.82007	0.2
361.11462	0.5
379.12503	8.4
380.12894	0.6
397.13574	39.7
398.13992	3.1
415.14661	7.7
416.14944	0.6
589.25269	1.0
607.25885	1.0
608.26727	0.2
635.36548	0.6
637.16144	0.1
653.37646	2.0
654.38092	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4872
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01598	0.4
65.25011	0.3
67.95446	0.3
68.99690	0.5
69.03345	2.0
70.90131	0.9
71.01270	26.4
71.04904	0.4
72.01611	0.4
72.99200	2.2
73.02832	4.7
75.00761	0.7
80.02567	0.8
81.03343	3.3
83.01291	2.8
83.04917	2.8
85.02839	7.2
87.00249	0.4
87.00769	6.5
89.02337	21.1
89.46426	0.3
91.03905	0.4
93.03339	0.8
95.01294	2.2
95.04906	0.9
97.02850	12.1
97.06445	0.4
99.00783	3.4
101.02343	19.3
106.04188	0.4
107.04908	1.1
109.02907	0.7
109.06499	31.8
110.03640	1.4
110.06833	1.0
111.00793	0.7
111.04411	1.3
113.02357	10.5
115.03923	0.4
116.48943	0.4
119.03416	5.4
121.02870	0.7
121.06509	1.9
123.00784	0.6
123.04436	0.8
123.08057	0.4
124.01542	0.4
125.02367	8.8
125.09664	0.8
127.03921	0.4
131.03442	1.2
133.04953	0.7
135.08064	3.8
136.05246	2.2
139.03929	0.9
141.01881	1.7
142.02684	2.8
143.03450	2.9
145.04967	0.4
145.10263	0.4
149.04446	0.6
151.07623	0.4
161.04492	4.0
161.09666	2.1
163.11232	20.5
164.11526	0.9
165.09163	0.5
167.03450	0.8
169.05107	0.4
179.05594	3.8
179.10777	1.1
181.12291	3.7
189.09218	2.4
199.06099	0.4
207.10248	100.0
208.10591	5.0
209.11821	1.6
217.07108	0.7
221.06705	2.4
225.11325	34.6
226.11612	2.0
235.08263	7.0
243.12456	1.4
249.11273	0.3
253.09317	1.2
255.23334	78.7
256.23672	5.4
259.08090	0.7
263.07755	0.9
269.24902	0.6
281.14044	0.9
287.07791	1.5
297.24564	0.5
299.15131	1.3
305.08945	1.8
323.10028	1.6
379.12543	8.0
397.13574	49.1
398.13910	3.1
415.14664	11.7
415.19562	0.3
416.14999	1.1
419.35211	0.7
443.19150	0.6
461.20279	0.4
587.23859	1.7
605.24487	4.3
606.25549	0.8
623.25665	2.8
624.25970	0.9
635.36505	0.7
653.37219	3.2
654.38037	0.8
843.46893	1.1
844.47498	0.6
861.48700	54.2
862.49054	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	861.4874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98705	0.5
62.42291	0.4
64.37715	0.4
67.01797	0.4
68.99690	0.5
69.03348	1.4
69.61100	2.7
71.01269	23.6
71.04927	0.4
72.01593	0.4
72.99198	1.5
73.02825	2.9
74.99310	0.3
75.00772	0.6
80.02571	0.8
81.03353	3.9
83.01266	3.0
83.04912	3.6
85.02840	6.4
87.00777	5.2
89.02338	19.8
90.44585	0.4
93.03372	0.8
95.01289	1.4
95.04906	0.8
97.02851	12.6
97.06508	0.7
99.00775	3.9
99.04421	0.5
101.02348	17.2
107.04956	1.2
109.02840	0.7
109.06501	32.5
110.03645	1.7
110.06828	0.8
111.00822	1.0
111.04417	1.1
113.02361	10.3
115.03931	0.4
119.03412	4.5
121.06506	2.4
123.00833	0.6
123.04463	0.8
125.02357	6.3
125.09653	0.8
131.03413	0.7
133.04967	0.5
133.06491	0.7
135.08093	4.0
136.05206	1.7
139.03902	1.0
141.01907	2.3
142.02663	2.7
143.03464	3.1
145.10062	0.5
161.04521	3.7
161.09674	2.0
163.11229	18.8
164.11560	0.8
167.03391	0.5
179.05545	6.0
179.06976	0.6
179.10690	0.8
181.12305	5.8
189.09198	2.1
199.06119	0.7
207.10249	100.0
208.10603	5.7
209.11903	3.2
217.07100	1.2
221.06664	3.7
225.11324	49.2
226.11644	2.6
235.08246	5.3
236.94434	0.4
243.12415	3.3
245.06810	0.5
253.09323	1.3
255.23325	57.9
256.23672	5.2
263.07761	1.0
281.13956	1.0
287.07773	2.3
299.15103	1.7
305.08951	1.8
323.09909	1.9
379.12540	9.0
397.13589	42.1
398.13937	3.2
415.09119	0.5
415.14609	10.9
416.14969	0.9
419.35458	0.9
443.19131	0.9
461.20584	0.7
587.23529	2.1
605.24628	8.0
606.25171	1.1
623.25574	7.1
624.26428	0.7
635.36969	0.6
653.37531	1.8
843.47150	1.9
861.48682	61.2
862.48932	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	853.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98722	0.6
69.03362	0.5
69.55962	0.3
70.72618	1.1
71.01270	10.2
72.99191	0.9
73.02843	1.6
75.00764	0.8
80.02567	1.5
81.03355	1.6
83.01273	1.1
83.04912	5.2
84.02063	1.0
85.02845	2.3
85.94612	0.4
87.00769	2.6
89.02332	7.3
94.25249	0.3
95.01281	0.8
95.04917	1.1
96.95919	1.8
97.02840	1.2
99.00785	0.8
101.02337	7.2
105.98371	0.3
109.06490	0.5
111.00813	0.3
113.02352	4.2
118.99759	0.3
119.03401	1.7
121.02851	0.5
122.35484	0.3
125.02370	3.2
125.06022	0.5
125.09626	1.4
127.11195	1.6
135.04489	0.5
135.08084	0.6
136.54509	0.3
143.03430	1.1
147.11664	0.4
155.10715	0.6
161.04494	1.9
163.09988	0.5
163.11249	4.2
165.09113	0.4
165.12802	2.3
171.10228	1.8
179.05608	2.0
181.12270	0.5
183.10291	0.5
191.03470	1.4
191.10744	1.4
199.09755	0.6
199.13313	0.4
201.11296	38.4
202.11591	1.8
207.10278	0.3
209.11809	100.0
210.12151	6.6
221.06688	0.9
225.11380	0.9
226.11694	0.4
227.12901	16.2
228.13344	0.8
235.08286	2.1
236.66890	0.4
251.12827	0.5
253.09283	0.8
285.04071	0.5
287.07736	1.6
305.08862	1.0
323.09906	0.8
379.12527	4.0
380.13098	0.6
393.23630	0.4
397.13589	24.7
398.13956	1.8
415.14627	7.2
416.14651	0.4
447.64182	0.4
497.20645	0.6
581.24664	0.9
589.25067	1.4
599.25720	1.6
607.26221	4.9
791.37500	0.5
799.38806	0.6
817.38538	0.5
835.38794	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00956	0.7
59.01260	17.6
61.98713	2.3
69.03326	2.4
69.39699	4.7
71.01266	70.9
72.01594	1.2
72.99187	2.5
73.02831	6.2
75.00761	2.5
76.64644	0.4
80.02549	1.5
80.96433	0.5
81.03345	2.9
83.01286	2.8
83.04913	6.7
84.02066	1.6
85.02837	6.3
87.00770	5.2
89.02337	14.6
93.03365	0.9
95.01279	1.5
95.04926	2.9
96.95921	2.8
97.02849	4.8
97.06461	0.9
98.19833	1.0
99.00755	2.8
101.02344	14.2
109.02837	0.9
109.06489	7.3
110.03631	0.8
110.06780	0.6
111.00736	0.7
111.04475	1.1
113.02351	8.4
113.83755	0.5
114.02674	0.5
119.03426	4.2
121.06502	0.8
123.00708	0.5
123.04448	0.7
125.02354	7.2
125.05976	1.1
125.09636	2.2
127.11192	1.9
131.03455	1.3
135.04424	1.2
135.08061	2.0
139.03899	0.7
139.07521	0.9
141.01901	0.6
142.02635	1.3
143.03412	2.7
149.02455	0.6
149.09572	0.8
151.11189	0.6
153.09027	0.5
153.12735	0.6
155.10703	2.1
161.04482	3.9
161.09653	1.0
163.11215	11.0
164.11633	0.6
165.09210	0.8
165.12770	2.8
167.03358	0.6
167.10655	0.6
171.10213	28.9
172.10645	1.1
179.05542	3.9
179.10750	0.7
181.12291	4.5
183.10286	0.7
185.11772	2.4
189.09204	0.8
191.03494	1.1
191.10750	1.0
197.11809	4.1
199.09639	0.6
199.13345	1.0
201.11288	20.9
202.11595	1.4
207.10242	17.2
207.12202	0.9
208.10576	1.0
209.11806	100.0
210.12148	6.1
215.12869	3.1
219.62146	0.5
221.06764	2.8
225.11314	33.9
226.11652	2.2
227.12894	13.3
228.13072	0.7
235.08199	4.6
243.12442	3.6
249.11296	0.5
251.12888	1.7
253.09242	1.8
263.07742	0.5
285.03964	0.7
287.07794	0.9
305.08646	1.1
323.09970	0.8
361.11209	0.6
379.12500	5.7
397.13562	29.2
398.13968	3.0
399.21863	0.7
415.14633	8.9
416.15289	0.8
417.22629	1.4
439.14709	2.0
457.16135	0.7
589.25238	1.0
605.24640	1.8
607.26068	1.6
623.25494	5.1
624.25500	0.9
649.27972	0.5
685.68378	0.6
691.31769	0.5
797.36505	1.3
815.37170	4.3
816.37878	1.2
833.38184	5.4
834.38776	1.6
851.39282	8.7
852.39722	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	849.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	19.3
61.98716	3.9
67.01783	0.6
68.47866	0.6
68.99699	1.7
69.02873	0.5
69.03333	2.0
69.23562	0.6
69.23895	6.8
71.01268	28.5
72.99206	4.4
73.02833	3.6
75.00761	0.9
75.35955	0.5
78.95776	0.7
80.02564	2.0
81.03339	2.3
83.01272	2.7
83.04922	8.4
84.02046	1.2
85.02847	6.8
87.00770	4.9
89.02337	14.4
95.01285	2.4
95.04928	2.2
96.95914	3.6
97.02832	5.2
97.06496	1.7
98.19762	1.0
99.00773	2.7
101.02345	12.9
107.04916	0.9
109.02859	0.8
109.06499	1.8
110.03645	2.7
111.04430	10.2
111.08103	1.2
113.02364	8.3
116.92725	0.8
119.03410	4.4
122.03656	1.0
123.04440	2.0
123.08086	1.8
125.02380	6.3
125.05983	1.7
125.09653	4.7
126.90285	0.6
127.11224	1.0
133.06552	0.7
135.08096	1.9
137.09665	1.0
139.03926	1.0
141.01869	1.0
143.03441	1.8
151.11211	2.9
153.09158	1.0
155.10655	1.0
161.04521	2.9
161.09703	6.2
163.11215	4.9
164.11638	0.7
165.12846	2.8
167.06525	0.6
169.12280	0.7
171.10229	26.9
172.10529	1.0
177.09212	1.6
179.05612	3.8
179.10724	9.1
181.12337	1.1
185.11826	1.6
187.09715	1.6
191.10730	1.0
195.10298	1.1
197.11812	4.2
199.09755	1.8
201.11317	2.0
205.08670	7.8
207.10258	3.0
209.11818	100.0
210.12151	6.0
213.11382	4.4
221.06659	1.6
221.11784	1.1
223.09753	35.0
223.13397	1.5
224.10127	2.4
225.11287	4.6
227.12904	16.7
228.13283	0.9
235.08304	3.4
241.01219	0.7
241.10754	2.8
246.86835	0.6
253.09366	0.9
254.98184	1.9
305.08847	1.3
323.09991	0.8
329.23337	1.3
379.12561	4.8
397.13583	29.1
398.13943	1.6
415.14651	9.5
415.20709	1.0
416.14835	0.7
433.21841	0.7
509.39331	0.6
551.23114	1.0
569.24799	1.6
572.71124	0.7
589.25140	1.3
603.23315	3.4
607.26068	2.2
621.24084	4.6
622.25159	1.0
743.35504	0.7
777.35437	1.0
795.34589	2.5
805.35712	1.2
813.35883	7.8
814.36743	1.5
821.37042	0.7
831.36713	10.7
832.37195	2.3
849.37793	14.8
849.52545	1.1
850.37524	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	849.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	15.0
67.01779	0.4
69.03346	4.4
70.03730	0.4
71.01267	16.1
71.04895	2.0
71.56919	0.6
71.57277	0.5
72.99210	1.8
73.02843	2.5
75.00759	0.8
80.02569	0.9
81.03358	2.0
83.01281	1.7
83.04914	4.5
84.02065	1.0
85.02842	4.7
87.00783	2.6
89.02333	10.4
93.03364	0.3
95.01280	1.6
95.04933	1.0
96.95895	0.4
97.02843	2.4
97.06482	1.2
98.89863	0.4
99.00787	1.5
99.04551	0.5
101.02345	10.7
105.01881	0.5
108.02094	0.6
108.07531	0.3
109.02909	0.5
109.06511	1.1
111.04477	0.7
111.08075	0.3
113.02357	5.1
115.00250	0.3
119.03383	2.9
121.06590	0.3
123.08078	1.0
125.02384	2.3
125.05978	0.6
125.09666	1.9
131.03459	0.7
135.08122	1.1
137.09650	0.5
143.03450	1.5
145.01428	0.3
151.11218	2.1
153.12807	1.5
154.27730	0.3
161.04433	1.9
161.09685	3.1
163.11227	4.3
163.18275	0.3
165.12794	1.6
167.10675	0.4
171.10219	1.9
175.02455	0.7
179.05597	1.1
179.10724	5.4
181.12334	0.9
185.11829	0.6
191.10701	1.0
197.11815	53.1
198.12148	2.8
199.13380	0.4
201.11252	0.5
204.19165	0.3
205.08632	0.4
206.01015	0.4
207.10205	1.9
209.11821	48.8
210.12202	3.0
221.06653	1.9
221.11729	0.4
223.09764	1.8
225.11243	2.2
227.12892	3.3
234.63739	0.3
235.08243	1.4
239.12811	0.4
241.10817	4.6
243.12381	0.5
253.09320	0.4
260.84232	0.3
276.42395	0.3
367.55994	0.4
397.13629	3.4
415.14792	0.8
462.61957	0.4
621.24396	0.6
639.25122	0.8
653.13953	0.4
777.36401	0.6
813.34845	0.6
831.36627	1.3
849.37744	100.0
850.38147	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	849.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00990	0.1
59.01262	1.5
63.02271	0.6
65.00198	0.6
67.01770	0.1
68.99681	0.1
70.89399	0.2
71.01268	2.5
72.99196	0.4
73.02824	0.1
75.00755	0.8
83.01266	0.4
85.02838	2.8
87.00780	0.8
89.02328	0.4
95.01283	0.8
99.00774	1.2
99.79187	0.1
103.00272	0.4
105.03363	0.4
107.01286	1.4
109.02863	0.6
113.02357	2.2
114.02639	0.1
115.00266	0.4
117.01833	0.4
121.02882	0.4
129.01826	0.2
131.04996	0.1
133.02875	5.0
134.03242	0.3
135.04408	0.1
143.04919	0.1
147.04468	0.1
149.02365	1.6
151.00304	3.5
151.03949	0.1
152.00670	0.1
162.54965	0.1
169.01422	0.1
169.06563	0.1
171.04451	0.3
173.06013	0.1
174.90796	0.1
175.02435	0.3
175.03940	2.4
176.04318	0.1
177.01889	0.3
179.86606	0.1
179.88120	0.1
185.06067	0.5
187.03973	0.2
189.05522	0.3
195.04463	0.1
197.06010	0.3
198.03194	0.3
199.03970	2.2
200.04388	0.1
201.01913	0.7
211.03967	0.2
212.04750	0.1
213.05542	0.5
215.03479	0.3
217.05038	1.2
223.03969	0.2
226.02708	0.2
229.05054	0.4
239.03493	0.1
241.05118	1.0
243.03052	0.7
255.03011	0.3
256.03632	0.2
257.04605	0.5
267.02991	0.3
268.03763	0.1
273.01712	0.1
283.02454	0.3
284.03290	0.6
285.04089	100.0
286.04440	8.3
287.04605	0.3
297.04065	0.4
299.05438	0.2
327.05115	1.2
339.05240	0.2
351.05374	0.1
355.04617	0.2
357.06119	1.1
369.06467	0.2
377.60809	0.1
381.06137	0.3
399.07758	0.1
461.07333	57.0
462.07693	6.6
463.07840	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	23.3
61.98712	8.0
68.99691	2.2
69.03345	1.9
71.01270	95.0
71.56289	2.3
72.99206	3.8
73.02843	3.3
75.00761	4.2
78.95796	3.2
80.02557	2.4
81.03346	5.0
83.01299	2.7
83.04920	11.5
85.02842	6.3
87.00777	4.5
88.98685	3.1
89.02341	5.3
92.92773	1.9
95.04958	2.1
97.02848	8.6
99.00742	2.6
101.02364	8.2
106.21214	1.8
107.04921	2.3
109.02853	1.9
109.06498	35.9
110.03653	4.2
111.04419	6.8
111.08078	3.4
113.02364	4.9
121.02827	1.7
121.06470	2.6
123.08067	3.7
125.05975	2.0
125.09628	7.8
135.08070	6.8
137.09615	1.7
149.09625	2.0
151.11195	3.0
161.04507	2.7
161.09671	6.6
163.11237	21.0
171.10217	37.3
172.10619	2.1
177.09134	3.1
179.10686	12.1
181.12283	4.9
185.11803	4.4
197.11794	6.3
199.09644	2.5
201.11235	5.5
205.08705	17.4
207.10245	65.2
208.10591	4.5
209.11815	100.0
210.12189	8.1
213.11310	4.8
223.09764	38.0
223.13287	2.4
224.10135	2.0
225.09341	1.5
225.11336	39.3
225.13541	2.1
227.12909	15.5
235.08226	6.8
241.10931	2.5
253.09343	18.6
288.06342	1.7
389.23669	2.1
397.20288	2.7
405.17407	1.9
415.21158	6.0
441.17245	2.2
443.19312	1.9
459.18683	9.0
461.20483	10.7
477.19659	3.2
510.97525	1.9
575.34888	1.9
625.28333	1.8
633.28870	4.2
651.30542	11.9
652.30939	2.7
669.31311	16.5
670.31476	3.8
687.32135	9.9
771.36810	2.1
798.48389	2.0
845.44574	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	843.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	6.6
63.04658	0.6
63.27708	0.5
69.56428	4.7
71.01273	3.2
72.99205	1.4
73.02820	1.8
75.00763	100.0
75.63525	0.6
76.01086	1.1
86.15481	0.6
93.03362	0.8
97.06489	1.4
99.00805	1.1
107.04980	1.6
108.02084	9.7
109.02861	19.9
117.01101	1.0
117.01859	9.2
119.04969	1.5
121.02877	8.3
122.03661	0.8
129.03397	0.6
133.02863	3.8
134.03670	8.8
135.04451	15.0
136.01595	23.6
137.02411	8.4
138.02705	0.7
145.02888	2.2
147.00786	2.1
147.04474	7.8
148.01610	2.7
148.05238	10.2
149.02383	1.6
149.05989	2.9
151.03979	5.4
159.04442	1.1
160.01602	1.0
161.02361	0.8
162.03185	0.7
163.03944	12.5
172.05334	0.8
173.02397	2.6
173.05988	0.8
175.03951	0.6
176.04710	2.3
177.01894	3.0
177.09192	5.1
178.02660	0.7
179.03499	5.2
180.04199	1.9
185.06003	0.9
187.07628	5.1
188.08264	0.7
189.09248	0.9
191.03473	46.0
192.04222	8.9
193.05046	2.3
195.03008	0.7
199.07758	0.6
202.06270	0.9
203.10815	1.0
205.08694	11.9
213.05588	0.9
213.09216	1.9
215.07094	0.9
217.08665	2.1
223.02502	1.4
227.07114	0.6
227.10773	1.0
231.10303	2.9
233.08194	7.5
236.03258	0.8
242.05814	0.7
245.08211	1.2
253.03471	0.8
257.08282	4.5
271.09811	4.1
275.09286	3.9
277.10901	4.4
284.03369	7.4
285.04089	21.0
286.04333	1.4
289.10883	19.8
290.11221	2.2
293.10275	5.8
307.11954	15.9
308.12268	1.1
308.34491	0.6
315.08771	1.1
321.09918	14.7
322.10162	1.0
331.89044	0.6
333.09894	10.7
334.10263	1.4
351.10916	23.4
352.11343	2.9
395.09894	12.4
396.10220	1.0
447.09387	22.7
448.09857	3.5
449.09280	0.6
612.19708	0.7
847.36938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	7.0
61.98700	0.7
69.40676	5.7
69.41103	1.9
71.01273	3.4
72.99176	2.1
73.02825	1.9
75.00762	100.0
76.01128	1.3
78.58904	0.7
85.02836	2.8
91.05475	0.7
93.03382	1.1
94.34058	0.7
97.06516	2.1
99.00772	1.3
105.03384	1.1
107.04933	1.1
108.02072	12.6
109.02866	23.0
109.03608	1.2
113.02366	4.7
117.01855	12.8
117.03319	1.0
119.04951	1.4
121.02863	8.8
123.04446	1.5
129.03394	1.1
133.02884	5.1
134.03683	7.7
135.04446	16.5
136.00548	1.1
136.01585	22.3
136.04758	0.7
137.02385	7.3
145.02887	2.5
147.00822	2.3
147.04465	7.9
148.01584	3.7
148.05228	8.0
149.02322	2.3
149.06047	4.5
150.03133	1.2
150.69574	0.7
151.03943	7.4
154.77634	0.8
161.02394	1.0
163.03938	11.6
173.02405	3.5
174.03085	1.1
175.02454	3.2
176.04753	2.6
177.01880	3.6
177.09181	7.2
178.02701	0.8
179.03456	6.5
180.04242	1.9
187.07634	3.2
189.09248	1.6
191.03470	64.6
192.04224	9.9
193.05040	3.3
205.08713	15.0
213.09219	0.9
217.08694	2.1
223.02489	2.7
224.03329	1.2
227.07208	1.4
227.99757	0.9
231.10202	0.9
233.08162	7.0
243.10402	0.9
245.08292	2.3
253.03508	1.1
257.08240	0.9
269.04630	15.0
270.04953	3.2
271.09827	7.6
275.09271	2.3
277.10809	6.1
285.97855	0.8
289.10873	30.3
290.11237	2.1
293.10391	6.7
300.65012	0.7
307.11923	21.1
308.12311	2.4
321.09848	21.1
333.09720	4.6
351.10913	26.5
352.11066	1.5
380.87177	0.7
395.09918	11.6
396.10608	0.9
443.11969	0.8
445.07892	4.0
494.29941	0.8
506.72806	1.0
538.62567	1.0
747.89679	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5183
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	5.9
61.98707	1.4
69.03354	1.3
71.01271	7.4
71.04900	0.5
71.21208	0.6
71.21538	0.5
71.24274	0.4
72.99200	0.4
73.02830	0.9
78.95787	0.7
83.01271	0.7
83.04918	0.6
85.02847	5.9
85.07913	0.4
87.00767	2.6
89.02344	3.5
95.01293	0.5
95.04938	0.8
96.95911	1.2
97.02840	1.2
97.06490	3.3
99.00767	0.7
101.02352	4.9
103.15308	0.5
107.05006	0.5
111.08084	0.6
113.02341	2.9
119.03423	1.6
125.09635	0.9
127.11182	1.6
137.09665	1.2
142.54781	0.4
143.03424	0.7
145.04945	0.4
155.10712	1.0
161.04517	3.1
163.11081	0.6
165.12881	0.5
167.10640	0.5
167.14378	0.5
171.10245	12.9
179.05544	0.8
179.14368	1.0
183.13849	2.9
185.11829	0.7
190.08342	0.5
193.12317	1.1
195.13924	7.0
197.11810	0.4
205.12367	0.6
207.10246	1.1
209.11850	2.4
211.13406	14.7
221.11812	2.2
223.13408	5.6
224.13960	0.4
225.11337	1.0
228.13655	0.6
229.14470	10.3
235.08264	7.8
239.12938	1.9
253.09331	36.8
254.09616	1.6
256.13165	1.1
275.20242	6.3
291.19824	4.5
292.19968	0.5
293.21301	100.0
294.21625	6.9
309.20761	7.8
310.21030	0.8
327.21838	73.0
328.22217	5.9
380.61920	0.4
482.77017	0.6
529.30396	3.3
545.29993	2.4
563.30670	6.4
564.31610	0.5
603.42853	4.8
604.43042	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	839.3939
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01605	1.1
69.03340	1.7
69.45801	0.5
69.46219	1.4
71.01269	42.2
72.01623	0.4
72.99197	1.5
73.02834	59.9
74.03179	0.7
75.00760	1.1
77.33396	0.2
81.03337	0.4
83.01274	16.4
84.01617	0.2
85.02843	4.3
87.00773	1.2
89.02338	8.9
95.01283	1.4
95.88283	0.2
96.95919	0.3
97.02850	0.9
98.20623	0.4
99.00771	0.7
99.04425	0.2
101.02343	50.0
102.02680	0.9
113.02351	16.0
114.02673	0.3
119.03419	5.6
125.02367	2.0
131.03423	5.4
132.03752	0.2
136.69176	0.2
143.03429	5.2
147.02943	0.3
149.04492	10.1
155.03432	1.5
161.04500	18.0
162.04765	0.2
188.48366	0.2
191.05461	0.2
203.05592	2.1
221.06654	5.3
483.53351	0.2
559.53363	0.3
601.21869	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	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00477	0.6
59.01263	8.4
66.29903	0.1
68.99712	0.1
69.03339	0.4
69.46194	0.6
69.46601	0.2
71.01266	7.7
71.04910	0.2
72.01601	0.1
72.67538	0.1
72.99191	0.6
73.02828	1.2
75.00770	0.1
80.02560	1.2
81.02893	0.1
81.03345	1.4
83.01276	1.0
83.04914	5.5
84.02054	1.1
84.05244	0.2
85.02833	1.8
86.00003	0.1
87.00768	1.9
87.04417	0.1
89.02333	6.8
91.03928	0.1
92.27699	0.1
93.03346	0.3
94.17735	0.1
95.01266	0.7
95.04927	0.8
96.95880	0.1
97.02847	1.2
97.06461	0.2
99.00773	0.3
101.02342	5.8
102.02710	0.1
109.06501	0.3
111.00783	0.2
111.04407	0.3
111.08118	0.2
113.02350	3.7
119.03403	1.7
123.08051	0.2
125.02363	2.6
125.06009	0.5
125.09638	0.3
127.03901	0.2
127.11229	0.1
129.01837	0.1
131.03423	0.4
133.04977	0.2
135.08089	0.9
139.03923	0.2
139.07573	0.1
141.01891	0.2
143.03429	1.1
147.11769	0.2
149.04523	0.3
149.09674	0.1
161.04501	1.6
163.11229	4.1
164.11562	0.1
165.12791	2.5
165.14899	0.1
165.69701	0.1
166.13205	0.1
167.03438	0.2
171.10219	0.7
179.05560	2.1
181.12273	0.7
185.04501	0.1
191.10754	1.1
199.06133	0.2
207.10202	0.1
209.11807	100.0
210.12140	6.1
217.07112	0.3
221.06636	0.7
221.11839	0.3
223.13338	0.2
227.12878	15.1
228.13206	1.0
233.11790	0.2
235.08238	2.3
245.06671	0.1
247.13467	0.7
251.12917	0.5
253.09238	0.6
259.08163	0.2
263.07745	0.2
265.14484	0.2
277.09348	0.1
287.07767	0.9
305.08957	0.7
323.09872	0.7
327.62503	0.1
341.10941	0.1
361.11307	0.1
379.12531	2.8
380.12698	0.2
393.23010	0.1
397.13562	20.1
398.13913	1.3
401.23523	0.1
415.14642	5.8
416.14832	0.4
419.24585	0.2
437.25415	0.2
497.20129	0.1
556.37164	0.1
589.25165	0.7
607.26141	1.3
608.26563	0.2
773.36261	0.2
791.37683	0.2
799.37549	0.6
800.37939	0.2
817.39136	0.2
835.38727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	0.6
59.01263	8.8
60.64839	0.1
68.99715	0.1
69.03330	0.5
70.96662	0.2
71.01268	8.0
71.04901	0.3
72.01614	0.1
72.99204	0.5
73.02834	1.3
75.00769	0.2
80.02570	1.3
81.03349	1.9
83.01278	1.2
83.04913	4.8
84.02048	0.9
84.46574	0.1
85.02347	0.2
85.02839	2.2
87.00774	1.8
89.02335	6.8
90.02660	0.1
91.03904	0.1
91.52891	0.1
93.03349	0.3
95.01264	0.8
95.04922	1.0
96.95912	0.8
97.02848	1.2
97.06473	0.2
99.00780	0.3
101.02347	6.1
102.02696	0.1
107.04971	0.1
109.02854	0.2
109.06497	0.4
111.00798	0.2
111.04407	0.1
111.08089	0.2
113.02350	3.4
115.03920	0.1
119.03417	1.9
121.02910	0.1
123.08036	0.2
125.02361	2.5
125.05990	0.5
125.09630	0.3
127.03912	0.2
131.03448	0.4
133.04990	0.1
135.08080	0.8
139.03937	0.2
140.43135	0.1
141.01831	0.2
143.03430	1.2
147.11728	0.2
149.04510	0.3
149.09631	0.2
161.04503	1.7
163.11234	4.4
164.11540	0.3
165.12799	2.5
166.13057	0.1
167.03452	0.2
171.10222	0.8
179.05554	2.0
181.12294	0.6
191.10713	1.0
199.06151	0.2
199.13377	0.2
207.10287	0.3
209.11812	100.0
210.12158	5.4
210.14232	0.2
217.07158	0.3
221.06676	0.8
221.11797	0.2
223.13326	0.3
225.11314	0.2
227.12885	14.3
228.13249	0.8
229.14558	0.1
233.11919	0.1
235.08218	2.2
236.08583	0.1
239.12845	0.1
247.13428	0.9
249.14876	0.1
251.12935	0.4
253.09370	0.5
259.08194	0.2
263.07797	0.1
265.14511	0.2
269.06927	0.1
276.16422	0.1
287.07791	0.7
305.08838	0.8
323.09860	0.6
361.11710	0.1
379.12537	2.8
380.12802	0.2
397.13574	18.8
398.13959	1.4
401.23315	0.2
415.14615	5.3
416.15067	0.5
419.24481	0.2
437.25647	0.2
537.41437	0.1
589.24884	0.5
590.24799	0.1
607.26367	1.4
608.26740	0.3
773.35931	0.2
791.39056	0.1
799.37506	0.7
800.38202	0.2
817.38629	0.4
835.40472	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4152
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
61.98717	100.0
62.98425	0.2
71.01270	0.4
75.00784	0.1
78.95809	0.3
79.95615	0.1
80.96379	0.2
83.04924	0.1
85.02901	0.1
87.00803	0.1
89.02327	0.2
95.88818	0.1
96.95914	0.2
97.02889	0.1
101.02355	0.1
113.02391	0.1
116.92802	0.3
121.02859	0.1
125.02330	0.1
163.11176	0.1
171.10254	0.2
197.11797	0.2
207.10274	0.1
209.11853	1.0
210.12283	0.2
225.11475	0.1
227.12958	0.2
255.23444	0.1
397.13574	0.2
816.37378	0.1
834.39069	0.3
835.36938	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	833.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00474	1.4
59.01263	30.7
68.99728	0.5
69.03351	1.9
70.72820	0.4
70.88493	0.9
70.88850	0.5
71.01268	21.8
71.04900	0.6
72.99200	2.2
73.02824	3.5
75.00804	0.6
80.02552	3.0
81.03345	4.5
83.01283	2.8
83.04912	9.4
84.02057	1.5
85.02841	5.3
87.00777	5.0
88.35754	0.4
89.02335	17.8
89.04945	0.4
93.03350	2.6
95.01286	1.9
95.04926	1.8
96.95883	0.6
97.02847	10.8
97.06481	1.1
99.00786	2.5
99.04439	0.5
101.02343	13.6
107.04926	1.1
109.02851	1.0
109.06498	28.7
110.03624	1.9
110.06845	1.0
111.00832	0.5
111.04441	1.1
111.08067	0.5
113.02348	7.8
119.03405	4.9
119.04858	0.5
121.02850	0.5
121.06486	2.0
123.04453	0.9
123.08083	0.7
125.02354	5.5
125.06017	1.2
125.09653	2.9
126.02743	0.5
131.03395	1.1
135.08080	4.9
136.05232	1.3
139.03973	0.7
141.01848	0.6
142.02682	2.9
143.03450	2.2
145.10159	0.8
161.04509	3.4
161.09674	1.7
163.11237	21.0
164.11555	0.8
165.09242	0.7
165.12785	3.0
171.10226	2.7
179.05582	4.5
179.10750	1.0
181.12309	5.0
185.04498	0.5
185.11812	1.5
187.09691	0.8
189.09155	1.7
191.10735	1.8
197.11830	0.4
201.11279	0.5
207.10245	79.4
208.10561	4.8
209.11809	100.0
210.12167	6.0
217.12326	1.4
221.06718	2.3
221.11699	0.8
223.09769	0.8
223.13382	1.0
225.11316	39.4
226.11665	2.6
227.12892	13.4
228.13277	0.5
231.10158	1.1
235.08252	4.0
235.13429	1.4
243.12398	1.2
245.11797	0.7
247.13368	1.4
249.11353	1.8
251.13008	0.8
253.09305	0.8
263.07788	0.6
263.12875	2.7
265.14508	0.9
281.13910	0.8
287.07797	1.0
299.14972	0.7
305.08789	1.1
323.09882	1.2
360.87149	0.4
373.23685	0.6
379.12457	2.3
380.12546	0.4
381.20602	0.6
389.23831	0.4
396.25775	0.4
397.13589	29.3
398.14014	2.7
399.21863	3.9
415.14609	9.2
416.15207	1.1
417.22910	4.9
418.23288	0.7
435.23688	1.2
461.20749	0.5
491.26526	0.5
554.03442	0.4
587.23602	0.5
589.25354	0.6
605.24640	5.2
606.24902	0.6
607.25958	0.9
623.25592	8.4
624.26215	1.1
771.34943	0.6
787.37384	0.7
789.36517	0.5
797.36139	16.1
798.36707	3.7
815.37183	23.7
816.37396	5.6
833.38281	37.9
834.38684	7.5
834.54211	0.8
869.45532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.5054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	2.3
61.98706	0.6
62.96282	0.5
64.22570	0.2
70.09696	0.8
71.01270	0.5
75.00755	0.5
76.26540	0.2
78.37479	0.2
78.95795	77.7
79.54756	0.1
79.95626	0.8
80.96406	1.7
83.04906	0.2
92.92705	4.5
93.14671	0.2
94.97987	0.4
96.96865	17.8
116.97173	3.5
118.96856	0.2
120.70052	0.2
125.02310	0.2
127.07584	0.4
134.97568	0.2
134.98482	1.0
141.01622	1.1
143.99144	0.2
145.84743	0.2
146.36171	0.3
152.99529	20.5
153.99867	0.3
171.00536	0.4
195.20207	0.2
205.19691	0.2
206.92511	0.2
223.00137	7.3
225.00710	0.4
241.01210	33.3
242.01579	1.0
255.23334	58.9
256.21115	0.4
256.23685	4.8
256.93369	1.1
259.02252	2.3
259.20636	0.4
275.20139	0.5
277.21786	36.9
278.22101	3.4
280.98114	0.5
297.03799	1.9
303.95459	0.2
305.88000	0.2
315.04892	1.1
338.93774	1.6
362.98358	0.7
391.22629	7.0
392.22815	0.4
409.23734	0.6
413.21063	1.2
420.93973	0.7
453.91492	0.2
553.27997	5.5
554.28290	0.7
571.29309	1.0
575.26337	1.2
831.50464	100.0
832.50793	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	831.44
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	14.1
61.98716	19.3
65.21464	1.2
70.62002	1.0
71.01276	8.8
71.56009	1.5
72.99200	1.3
73.02874	2.0
73.68925	1.0
75.00766	2.8
78.95791	6.7
80.02559	1.0
83.01244	1.1
83.04897	6.2
85.02833	2.3
87.00747	2.9
88.98695	1.1
89.02331	6.8
89.66670	1.3
95.04908	1.2
96.95366	1.2
96.95874	6.8
96.96875	2.4
97.02839	1.6
99.00788	2.1
99.58472	1.2
101.02354	7.9
103.32892	1.1
109.06557	1.5
113.02370	4.2
116.92765	1.5
119.03452	1.2
125.02350	2.3
125.09628	2.6
141.01709	1.8
153.09116	3.3
161.04555	3.5
163.11293	5.8
165.12848	2.2
171.10217	8.5
185.11801	2.1
191.10690	1.9
195.13928	2.2
197.11850	4.0
201.11172	1.6
205.12360	1.8
207.10275	3.5
209.11810	100.0
210.12170	7.1
211.13358	1.6
223.13371	17.3
224.13733	1.2
225.11366	2.7
227.12888	13.2
228.13194	1.4
235.08260	3.6
241.01271	2.3
253.09286	7.7
255.23364	4.9
277.21762	3.6
283.02591	1.2
289.18170	7.1
305.08875	1.4
307.19196	22.8
308.19604	2.0
325.20212	15.2
327.21805	3.3
379.12534	1.6
397.13577	9.5
413.03052	1.4
415.14673	1.6
445.20447	2.0
543.28436	6.5
544.28729	1.3
561.29510	1.4
621.27527	2.3
735.39563	3.9
736.39514	1.3
753.41034	5.9
771.41730	2.4
813.39404	1.3
831.36658	4.0
831.50360	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	831.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00472	1.2
59.01264	19.1
61.98710	3.0
69.03321	2.7
70.93958	0.4
71.01268	17.3
71.04901	1.0
72.99199	2.0
73.02832	2.5
75.00767	1.0
78.95788	2.4
80.02557	1.3
80.96368	0.5
81.03327	1.9
83.01265	1.9
83.04920	6.2
84.02048	1.1
85.02832	4.8
86.46728	0.4
87.00761	3.6
89.02335	14.5
93.03340	0.7
95.01284	1.4
95.04926	1.5
96.95895	3.3
96.96863	0.5
97.02852	2.8
99.00764	1.3
101.02343	13.3
109.06514	1.2
111.00774	0.6
113.02355	7.2
116.92846	0.5
117.44479	0.4
119.03423	4.2
123.00776	0.5
125.02376	5.1
125.05988	0.6
125.09634	0.5
131.03381	0.7
135.08052	0.6
139.03986	0.4
141.01692	0.5
143.03427	2.7
147.11694	0.5
152.99475	0.7
161.04489	3.5
163.11215	4.9
165.12865	2.2
167.10750	2.7
171.10252	1.1
177.12854	0.7
179.05566	3.8
179.10765	1.1
179.14319	2.6
181.12352	0.9
191.10785	0.8
195.13861	8.0
195.15565	0.8
201.11185	0.4
205.12325	7.9
207.10249	0.9
209.11810	100.0
210.12184	5.5
217.07137	0.6
221.06712	1.4
223.13391	70.9
224.13713	4.1
225.11293	1.2
227.12878	15.7
228.13257	0.8
229.22060	0.4
233.11708	0.4
235.08263	4.3
241.01210	1.1
243.38121	0.4
253.09355	1.4
255.23305	1.8
261.14908	0.9
276.63080	0.4
277.21719	1.0
287.07742	1.3
305.08817	1.7
323.09827	1.5
379.12503	4.9
380.12994	0.6
393.87390	0.4
397.13565	38.2
398.13852	2.4
415.14606	11.0
415.25082	0.6
589.25543	0.7
603.26532	4.3
604.27173	0.5
607.26123	1.7
621.27679	8.7
622.27612	1.2
795.38019	0.9
813.38953	1.6
831.36780	1.1
831.50830	5.1
832.51306	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	2.3
59.01265	52.3
61.98724	5.5
63.55553	0.8
67.01760	1.5
69.03356	4.3
69.03658	1.0
71.01270	45.5
71.59146	1.0
71.68207	0.8
72.99191	4.4
73.02838	6.4
75.00741	2.9
78.95781	3.4
79.14348	0.8
80.02573	1.6
81.03352	6.8
83.01273	5.6
83.04913	8.2
85.02843	10.8
87.00772	9.8
89.02339	29.6
93.03342	2.1
94.31662	1.0
95.01266	3.9
95.04919	3.9
96.95911	2.4
97.02852	17.4
97.06483	5.2
99.00782	6.9
101.02344	25.8
107.04912	2.9
108.02080	2.0
109.02854	2.0
109.06503	45.0
110.03672	2.0
110.06841	2.3
111.04426	1.9
113.02352	14.8
115.85525	0.8
119.03412	6.4
121.02804	2.3
121.06522	5.0
123.04418	2.0
123.08053	3.3
125.02340	7.4
125.09641	22.7
126.09985	1.1
131.03415	2.1
135.04404	1.5
135.08080	7.8
136.05191	2.0
141.01793	2.4
142.02692	5.2
143.03419	3.6
147.04376	1.8
147.08067	1.4
149.04356	1.4
149.06009	1.5
151.07617	1.2
158.93884	1.4
159.04361	1.5
161.04472	3.1
161.09628	3.6
163.11230	25.2
164.11612	1.1
165.09135	1.9
169.08540	1.6
171.10220	3.3
175.11281	4.2
179.05534	4.8
179.10741	2.6
181.12318	7.0
181.87073	0.9
185.06113	1.4
185.11856	4.6
187.09731	13.8
189.09207	1.7
191.10733	3.4
193.12260	1.3
197.11786	1.1
201.09190	1.4
201.11195	1.1
201.12903	1.7
203.10754	2.1
205.08679	1.7
207.10248	96.1
208.10594	5.8
209.11809	29.7
210.12175	1.6
211.13509	1.7
217.12378	2.1
219.10220	4.1
219.13799	2.1
221.06691	7.9
223.09825	4.4
223.13377	3.4
225.11322	58.8
226.11664	3.1
227.12772	1.4
229.12332	1.9
235.08192	3.1
235.13385	3.2
237.11311	4.1
243.12451	1.9
245.11888	2.5
247.09717	1.3
255.23392	2.3
261.11218	1.8
263.07874	1.1
263.12918	7.3
265.10678	1.3
277.21652	1.4
281.14017	1.5
283.20758	1.4
299.15289	1.5
301.21667	1.4
325.21686	1.6
327.19669	2.5
343.19092	1.5
343.22653	1.5
345.20700	2.5
351.19675	2.1
353.17453	2.4
353.21408	2.6
361.20465	2.2
363.21814	1.1
369.20703	3.4
371.18594	6.1
371.22525	2.7
379.21518	1.4
387.21747	3.8
389.19467	6.8
389.24033	1.1
390.20212	1.0
397.13562	14.7
397.20120	6.9
398.13965	1.1
403.21170	1.5
405.22952	3.5
415.14774	4.2
415.21317	16.7
416.21835	1.6
433.22287	8.3
567.22662	1.4
574.27527	1.0
605.24884	2.7
623.25549	7.6
624.25922	1.2
635.31067	1.3
759.35181	3.2
760.21802	1.3
769.32965	14.4
770.33691	2.1
771.42877	1.2
785.35767	6.0
786.35547	1.1
787.34204	30.9
788.34296	5.3
795.20990	1.3
795.34625	13.8
796.34558	2.9
801.36810	1.5
813.35712	100.0
814.35846	21.0
831.36707	50.2
831.50037	2.6
832.36792	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	829.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	25.6
61.98718	23.9
71.01260	19.6
75.00768	7.6
77.28725	2.6
78.95792	3.6
80.02589	3.2
81.03366	4.4
83.04905	9.4
85.02855	5.9
87.00761	2.9
87.68711	2.6
88.63863	2.6
89.02344	7.8
96.95908	26.0
97.02837	7.6
97.06467	4.0
98.20608	4.7
99.00783	4.4
101.02352	11.3
104.96711	2.9
109.06494	30.9
111.04511	3.2
113.02312	8.0
121.06490	4.6
122.67917	2.8
123.08084	3.3
125.09623	10.0
127.07575	3.0
135.08075	5.7
142.02641	3.7
148.44817	2.5
153.09157	6.2
161.04465	3.2
161.09689	3.2
163.11227	22.7
165.12828	3.0
171.10248	26.7
179.10565	3.3
181.12296	6.7
185.11790	11.2
197.11797	11.7
207.08350	5.0
207.10260	78.2
208.10631	3.2
209.11819	100.0
210.12210	5.4
211.13385	5.8
219.14037	2.6
223.09727	3.2
223.13373	4.2
225.11305	41.9
226.11668	2.6
227.12904	9.0
235.08209	9.0
243.11891	2.9
253.09306	13.0
285.04312	3.6
287.16568	5.3
289.18100	11.3
305.17621	18.4
307.19254	37.8
309.20911	4.1
323.18671	7.4
325.20316	29.4
326.20651	3.7
405.22800	3.0
451.88095	3.4
461.20279	8.2
497.29037	5.0
523.25525	3.9
541.26801	7.3
543.27893	3.8
561.29114	3.8
566.23688	3.7
627.29346	4.0
673.96741	3.4
715.37854	4.9
733.38123	32.2
751.39319	36.5
752.39337	8.9
769.40601	33.9
770.40759	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	823.3905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.9
61.98707	12.2
68.13862	3.2
71.01269	39.7
71.56387	4.0
77.86594	2.7
78.49520	2.6
78.95770	10.1
81.03376	2.9
82.95300	5.4
83.04917	7.0
87.00751	4.3
89.02346	4.5
96.95904	10.0
96.96844	3.8
98.97268	2.9
109.06477	9.9
113.06001	7.2
149.00500	2.7
152.99559	5.8
163.11191	5.7
170.19774	2.8
171.10228	21.6
185.11806	3.9
191.24011	3.0
197.11703	5.0
199.09744	15.8
201.11256	6.1
207.10255	22.0
209.09903	6.3
209.11810	100.0
210.12140	12.4
213.41055	2.7
225.11284	22.6
227.12888	27.6
235.08298	6.5
253.09264	13.3
343.24890	4.7
435.18619	7.0
461.20303	10.6
479.24258	6.5
539.10089	3.7
653.30383	6.9
671.32843	8.0
672.32898	5.6
823.37817	18.1
824.39124	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	823.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	2.1
59.87525	0.8
69.89628	4.0
71.00898	1.3
71.01268	17.3
72.99188	3.4
75.00761	26.3
83.04896	0.9
85.02844	5.6
93.03369	1.2
95.01287	1.2
97.06483	1.8
103.00287	0.9
108.02049	3.9
109.02859	1.6
111.04407	1.4
113.02357	5.1
117.01853	1.1
118.99785	14.1
119.04927	1.9
121.02846	6.6
122.03665	2.6
124.83011	0.8
133.02895	1.0
134.03651	1.5
135.04454	6.2
136.01544	0.8
137.02411	0.9
139.03917	2.2
145.02908	2.0
146.03690	4.6
147.04454	7.6
148.05254	7.9
149.02292	1.0
149.06000	6.1
150.03137	0.8
158.03662	1.0
159.04482	5.7
161.02351	1.5
161.06001	2.4
162.03210	1.1
163.03954	11.8
168.59332	0.8
171.04549	1.0
171.08092	1.1
172.05229	6.7
173.02379	3.2
173.06015	2.9
174.03174	7.2
174.06708	1.4
175.02495	1.7
175.03931	3.1
175.07622	1.3
176.04784	4.6
177.09178	18.3
178.09517	1.2
183.04431	1.1
184.05182	1.7
185.06059	2.4
186.06853	1.8
187.03938	3.8
187.07619	10.8
188.04787	7.4
188.08342	1.4
189.05490	1.3
189.09172	10.3
191.03473	40.2
191.70685	0.8
192.04155	6.2
196.05260	1.3
197.06038	3.0
198.06786	5.4
199.03993	1.2
199.07520	3.0
200.04755	1.7
201.05573	1.1
201.09195	3.5
202.06438	1.1
203.07022	1.6
203.10715	3.5
205.08698	32.2
206.08965	2.8
213.05554	1.9
213.09206	11.0
214.06207	1.1
215.07162	7.7
215.10738	3.2
216.04274	1.0
216.07925	1.0
217.05359	1.0
217.08699	20.7
217.12090	4.0
218.08984	1.2
225.09145	1.5
227.07320	4.4
227.10782	14.8
228.07896	1.6
228.11116	1.2
229.08646	1.9
231.06693	1.8
231.10304	16.0
232.10628	1.6
242.05891	2.0
243.10278	9.1
244.10599	1.1
244.48270	0.9
245.08206	5.9
245.11887	7.2
246.08897	2.0
247.09709	0.9
257.08231	28.6
258.08713	1.8
261.11343	4.7
269.04617	14.6
270.04886	2.6
271.09818	31.0
272.10129	2.7
275.09177	3.7
287.09372	1.0
289.10873	100.0
290.11212	9.7
315.08786	20.2
316.09286	1.1
333.09872	2.9
377.08783	6.2
378.08978	0.8
445.07709	4.0
459.82510	0.9
551.05530	0.8
591.81940	0.8
626.96222	0.8
653.94574	1.0
658.71844	1.0
793.02893	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	821.5075
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03377	0.4
58.00503	0.7
59.01258	5.2
60.58707	0.3
61.10948	0.4
61.98717	15.1
64.22478	0.4
67.67013	0.3
69.03358	0.6
70.62383	1.2
71.01273	5.0
71.01601	0.3
72.99223	0.5
73.02857	0.8
78.95820	0.6
80.91630	0.4
80.96406	3.5
82.96027	1.0
83.01315	0.9
83.04917	0.4
85.02903	1.1
87.00806	1.0
89.02344	3.3
94.52926	0.4
95.01347	0.4
95.04945	0.6
96.95916	2.3
97.02899	0.6
97.06523	0.4
98.20435	0.4
98.95470	0.3
99.00839	0.4
101.02345	4.5
109.06526	0.6
111.08070	6.0
113.02372	2.8
113.09682	0.4
119.03452	1.0
127.07603	0.9
145.83759	0.3
151.11156	0.5
153.12811	0.7
161.04535	2.7
164.98648	0.4
167.10745	0.8
169.12303	2.3
171.10207	0.8
179.05666	0.8
179.10829	0.4
179.14394	1.2
181.12312	1.2
183.13843	0.6
195.13881	7.5
195.15561	0.5
196.14400	1.0
197.11812	31.0
198.12189	1.9
199.13370	1.6
200.13713	0.4
205.12369	0.7
205.16022	0.6
209.11884	0.7
211.13397	6.5
223.13412	5.3
225.00847	0.4
225.11014	0.4
227.12860	0.5
228.13725	0.7
235.08229	2.7
253.09323	31.2
254.09708	1.3
256.13208	1.1
263.20151	2.2
265.18185	0.7
265.21555	0.4
273.18719	0.9
275.20224	5.2
276.20703	0.7
277.21820	1.1
279.23376	0.5
289.18140	0.8
291.19754	11.6
292.20026	1.4
293.21292	100.0
294.21628	7.7
307.19333	0.4
309.20776	52.3
310.21085	4.4
360.35199	0.4
527.29077	0.5
529.30133	1.2
545.29382	1.5
546.30078	0.4
585.41779	3.1
821.41656	4.5
822.42670	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5078
Annotation	Unknow
Peak:m/z	Relative Intensity
58.96046	0.6
59.01260	7.7
61.98715	22.9
62.61505	0.5
69.03337	1.8
71.01270	6.4
71.04913	0.6
71.56664	0.8
73.02855	0.7
78.95793	1.3
79.95631	0.7
80.96411	3.7
82.95963	1.2
83.01279	0.8
83.04926	1.0
85.02850	1.8
87.00758	1.3
89.02332	4.6
94.98015	0.9
95.04934	0.7
96.95914	2.9
97.02849	1.5
99.69167	0.7
101.02356	6.4
111.08062	8.8
113.02344	2.1
119.03434	1.2
137.09615	0.8
161.04486	2.3
163.11198	0.7
167.10744	0.9
169.12274	4.1
171.10234	2.5
177.12793	0.9
181.12311	1.5
193.12265	0.8
195.13895	8.6
196.14305	0.7
197.11815	46.0
198.12140	2.5
199.13449	3.2
205.12367	0.8
205.15822	0.7
209.11922	1.8
209.15526	0.9
211.13399	7.3
212.13658	0.9
223.13466	4.1
225.00632	0.9
226.05652	0.7
227.12868	1.8
235.08305	1.9
247.20680	1.5
249.14960	3.3
253.06702	1.6
253.09319	29.3
254.09636	1.3
256.13110	1.1
263.20236	2.4
265.18402	0.8
273.18625	1.3
275.20212	7.6
277.21808	1.4
291.19754	19.6
292.20090	2.7
293.21292	100.0
294.21622	10.0
309.20779	63.5
309.26031	1.0
310.21158	5.8
345.62451	0.8
434.85373	0.7
507.03586	0.8
529.30182	1.6
545.29724	2.5
585.41803	2.3
821.42218	6.1
822.41846	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	819.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.6
59.01261	1.6
69.03345	0.9
70.85072	0.7
71.01269	2.1
71.04897	0.4
72.99201	1.1
73.02831	0.9
75.00750	0.4
81.03330	0.3
83.01253	0.3
84.63005	0.2
85.02837	2.5
85.06485	0.4
87.04398	1.9
89.02346	0.5
90.71712	0.2
93.03307	0.3
95.01289	1.2
96.95901	1.3
97.02853	0.3
97.06499	0.5
99.00784	0.7
101.02360	0.6
101.05998	0.5
108.02076	56.1
109.02903	9.6
110.03194	0.4
113.02348	1.4
117.03332	0.3
119.04974	0.6
121.02860	0.8
121.06477	0.4
122.03667	0.3
123.00784	0.8
123.04415	0.6
123.08116	0.3
125.02363	0.6
125.09633	0.8
126.85672	0.2
129.09129	0.3
134.03662	0.7
135.04445	1.4
137.02327	0.4
139.11226	0.7
145.02901	0.3
146.04564	0.3
147.63676	0.2
149.06055	0.3
150.03204	0.3
151.03958	1.1
152.01094	100.0
153.01860	7.8
153.09181	0.4
155.10779	0.6
161.04491	0.5
161.05893	0.2
163.03970	4.2
169.12212	0.2
171.10257	2.7
177.01863	1.3
179.03458	1.0
185.11809	4.0
186.12189	0.4
191.03352	0.5
193.05101	0.3
201.11282	3.1
207.02966	0.9
214.12083	0.4
215.12863	0.5
221.55443	0.3
241.14409	0.3
243.16025	2.8
244.16362	0.3
253.18202	0.3
255.16121	0.7
269.04559	0.9
297.06207	1.1
301.20111	0.3
315.07303	1.3
359.24420	1.0
371.24408	2.9
372.24838	0.4
389.25537	12.0
390.25995	1.3
429.10458	11.0
430.11002	1.2
441.12927	0.2
445.07333	0.3
447.11581	1.3
601.20898	0.4
801.35449	0.3
819.36676	70.9
820.37054	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	818.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37085	0.2
59.01260	0.3
61.76412	0.2
61.98714	100.0
62.98433	0.2
71.01276	0.5
71.55686	0.1
71.56129	0.3
75.00766	0.3
78.95818	0.4
79.95629	0.2
80.96397	0.7
88.98731	0.2
94.98017	0.2
96.95913	0.3
159.69547	0.1
165.00642	0.2
171.10225	0.3
174.45740	0.1
197.11786	0.4
202.27144	0.1
207.67010	0.1
209.11862	1.0
210.12140	0.3
225.00847	0.2
227.12933	0.2
253.09541	0.2
309.21243	0.3
310.21152	0.2
365.57422	0.2
432.58411	0.2
488.73563	0.2
494.72525	0.1
519.15564	0.2
522.41943	0.2
745.38263	0.2
800.41357	0.2
818.37372	0.6
818.50323	0.3
819.39154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.389
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73661	0.3
57.03333	0.8
57.94672	0.3
58.00473	0.4
59.01261	12.0
61.98714	11.7
69.03333	2.8
71.01266	10.9
71.04894	0.7
71.59230	0.5
72.99197	0.9
73.02830	1.5
75.00745	0.6
78.95800	0.8
79.95621	0.7
80.02550	0.7
80.96377	0.3
81.03352	1.6
83.01278	1.3
83.04911	3.8
84.02070	0.5
84.77641	0.4
85.02835	2.0
85.15932	0.4
87.00774	2.2
89.02334	9.2
94.92333	0.4
95.01285	0.7
95.04890	0.7
96.95908	22.6
96.96887	0.8
97.02846	1.5
97.06464	0.4
99.00781	0.6
101.02343	7.4
109.06490	0.6
113.02350	4.2
119.03418	1.9
125.02335	2.2
125.14849	0.4
131.03397	0.4
132.79115	0.4
135.08084	0.7
143.03474	0.8
149.04491	0.4
150.73970	0.3
153.09157	0.7
161.04491	2.2
163.11198	3.0
165.09082	0.4
165.12788	4.0
171.10255	0.8
173.09804	0.4
179.05544	3.2
181.12273	3.1
191.10765	4.9
207.10352	0.5
209.11807	100.0
210.12120	6.7
211.13432	0.4
221.06615	0.9
225.11189	0.5
227.12892	9.7
228.13255	0.7
235.08202	2.7
242.70490	0.4
247.13377	0.6
251.13007	0.6
253.09277	0.8
305.08792	1.0
323.09863	0.8
379.12476	3.5
380.12833	0.6
397.13562	22.5
398.13971	2.2
415.14615	5.5
416.15067	0.5
490.01208	0.4
589.25110	2.8
590.25336	0.4
607.26239	4.8
608.27185	0.6
762.32318	0.4
781.36737	1.1
799.37982	1.4
817.39673	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	817.3836
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01608	0.6
61.98716	56.2
63.61650	0.3
63.99119	0.4
69.85307	0.3
71.01264	2.5
73.02833	0.6
75.00761	0.4
78.95821	0.6
80.96397	1.0
83.01294	0.3
85.02844	0.6
88.85664	0.3
89.02323	2.1
96.95911	0.4
97.02848	0.4
101.02354	2.5
113.02329	0.8
119.03431	0.5
125.02355	1.0
141.01628	61.2
142.01941	1.1
143.03410	0.6
161.04553	0.4
179.05597	0.3
183.56059	0.4
197.11812	1.2
207.10300	0.4
209.11819	1.4
235.08150	0.8
243.04770	0.5
252.06602	0.4
253.09383	0.6
277.21786	5.3
278.22076	0.5
305.08939	0.6
309.20734	0.4
359.22028	4.8
360.22574	0.4
397.08392	0.7
397.13580	10.5
398.13708	1.1
415.14667	2.1
419.11862	2.8
437.12881	4.5
438.12787	0.7
439.64078	0.4
469.06570	0.6
493.37534	0.4
675.36096	1.3
697.33746	3.4
698.34369	0.6
817.38043	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.4
61.98717	100.0
62.98426	0.2
69.57497	0.3
69.57913	0.5
71.01286	0.2
75.00769	0.2
78.95827	0.3
80.96419	0.4
96.95928	0.1
97.02799	0.1
101.02348	0.1
109.06530	0.1
116.92796	0.2
119.20433	0.1
123.10496	0.1
127.98083	0.1
131.78098	0.1
148.75246	0.1
160.27858	0.1
197.11858	0.2
207.10324	0.4
208.10606	0.2
209.11790	0.6
210.12224	0.2
211.13141	0.1
309.20648	0.2
310.21133	0.1
311.22052	0.1
816.49628	0.2
817.38025	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	815.5002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
59.01264	6.6
61.98711	1.4
63.96111	1.7
69.03333	1.2
70.02264	1.6
71.01265	8.8
72.99184	0.6
73.02834	2.1
75.00767	0.4
78.95789	2.2
78.98482	6.8
79.95621	14.4
80.96407	87.8
81.03350	0.9
81.96331	0.5
85.02834	3.1
87.00775	3.4
94.97981	18.6
95.01308	0.3
96.95882	1.5
97.02851	1.6
97.42506	0.3
98.20565	0.3
99.00782	0.9
99.04372	0.3
99.92542	0.3
101.02334	3.0
106.97987	3.7
113.02391	0.6
122.97501	3.8
125.02372	3.7
127.00206	0.3
127.03937	1.0
134.97504	5.6
136.99048	1.7
141.01613	6.2
142.01894	0.7
143.03358	0.3
143.99066	0.9
148.99077	7.5
152.98549	5.9
152.99612	0.5
164.98570	13.2
165.98825	0.5
167.00113	0.4
171.10194	0.4
206.99625	2.9
223.02066	0.9
225.00745	18.4
226.01132	0.6
241.01169	0.4
255.23219	2.2
256.23755	0.4
262.99356	0.4
277.21820	0.8
305.02289	1.8
307.02628	0.4
307.99768	0.5
387.02618	1.1
403.40280	0.4
427.00433	0.4
470.04663	0.3
480.79520	0.4
492.80042	0.4
537.27313	1.2
559.25763	2.3
560.26202	0.5
815.50000	100.0
816.50317	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	815.482
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00459	0.4
59.01266	5.2
61.98713	1.5
70.11173	0.8
70.11561	0.9
71.01272	5.2
71.04935	0.4
73.02837	1.4
74.98569	0.4
78.55831	0.4
78.95796	21.8
80.02560	1.1
80.96423	0.5
81.03349	1.3
83.04921	4.0
84.02072	0.6
84.05247	0.4
85.02845	1.3
87.00760	0.9
89.02346	1.7
89.20628	0.4
95.04918	0.7
96.29352	0.4
96.96868	4.8
99.00819	0.5
101.02351	2.3
108.71979	0.4
109.06493	1.1
113.02354	1.2
119.03422	0.6
125.02382	0.4
125.06024	0.4
125.09665	0.7
127.11163	0.9
135.08093	0.6
145.05000	0.7
152.99522	5.5
161.04497	1.3
163.11232	3.5
165.12801	1.7
171.10231	13.9
172.10512	1.1
176.04715	0.5
179.05586	0.5
181.12317	0.6
191.10751	0.9
199.09726	1.5
201.11295	0.9
207.10292	1.9
209.11823	100.0
210.12180	6.7
212.54878	0.5
215.12910	0.5
223.00133	1.3
225.11400	2.1
227.12901	13.4
227.15164	0.6
228.13203	0.6
235.08272	5.2
241.01227	11.0
242.01485	0.4
253.09352	9.8
255.23331	13.9
256.23627	1.6
259.02072	0.7
277.21786	98.3
278.22116	8.4
297.04010	0.7
300.55624	0.4
391.22693	0.7
445.20828	2.9
513.30829	1.6
514.31757	0.5
553.28198	0.7
725.39038	12.1
726.38983	2.4
779.40002	1.5
780.41187	0.6
797.41058	10.6
798.41125	2.3
815.42230	4.3
816.42542	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	813.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64193	1.2
59.01250	6.2
61.98712	4.7
69.00817	2.0
70.02863	2.8
71.01255	3.3
71.02393	17.3
72.00793	3.9
72.47578	1.5
72.99195	1.9
74.02347	3.6
75.00756	2.5
78.95805	1.8
79.39520	1.3
82.01599	3.8
82.06513	1.7
84.41397	1.3
87.05527	2.8
88.98688	9.2
89.02348	2.1
93.03350	5.5
95.02388	2.9
96.00809	17.1
96.95910	5.7
97.00326	3.9
97.03973	6.7
98.01112	8.3
98.02349	7.1
99.01884	2.8
102.68481	1.4
107.04897	2.0
109.01599	1.8
111.01915	8.1
112.02727	1.6
113.03482	14.4
114.01859	2.4
116.04953	12.8
117.03296	1.6
118.06556	7.1
119.04959	8.4
121.03919	1.5
129.10251	8.6
129.17021	1.6
131.04556	5.8
134.06058	3.8
138.09180	2.0
139.08694	7.0
140.07034	2.4
144.04495	6.2
146.06065	11.5
147.03192	4.5
147.04410	3.2
148.07538	2.2
155.08189	5.1
157.05290	3.6
158.06032	1.4
160.03967	1.7
160.07643	2.2
161.05836	1.6
161.07123	4.9
161.77664	1.3
162.05527	4.0
163.03935	8.9
163.08717	5.1
164.07053	4.4
165.10249	9.5
166.08655	11.3
167.08173	2.8
172.04012	3.6
172.06306	2.3
172.07664	4.1
173.07121	3.4
174.05479	2.0
177.01903	2.7
180.06636	30.1
183.11473	1.8
185.07170	2.0
187.05087	7.0
189.06665	35.6
189.10280	4.1
190.07018	2.4
191.08247	10.0
193.09895	1.5
195.08078	3.6
200.03448	3.6
200.05971	1.6
202.05130	2.4
203.08258	2.4
207.14948	2.1
209.09338	5.5
209.11632	1.5
210.07448	1.6
221.09708	13.9
225.16100	7.7
229.06174	5.1
236.10889	8.8
238.08688	5.9
238.12366	2.4
241.13536	2.1
242.18732	3.7
246.09111	2.1
247.12393	5.4
250.08778	1.8
254.12985	2.1
256.14575	4.5
257.13129	2.2
260.10788	1.5
260.17819	2.6
262.08914	2.2
264.10306	4.0
266.11826	8.5
276.10266	2.5
278.18729	2.2
279.11371	2.2
281.12927	1.7
283.14551	3.1
291.11502	12.7
297.12592	2.5
301.13568	1.8
304.16638	4.8
308.14017	4.5
320.11606	7.7
322.17499	2.2
327.13559	11.8
334.10928	1.4
343.18250	2.3
344.13956	3.3
350.15573	2.5
368.16565	3.5
386.18900	2.2
410.72137	1.8
411.17111	5.8
411.73273	1.5
444.19189	2.0
455.16238	33.6
456.16611	4.5
472.18893	7.1
698.35748	9.1
699.36243	2.0
734.35767	3.1
778.34778	55.6
779.34747	8.9
795.37445	90.5
796.37384	25.8
797.37640	1.8
813.38428	100.0
814.38757	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	811.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00996	2.3
59.01264	29.8
60.79113	1.2
61.98722	2.8
69.03337	1.4
71.01270	10.9
71.27254	3.6
71.97655	1.2
72.99197	2.2
73.02846	3.1
78.95777	2.0
80.02593	1.6
81.03337	3.7
83.01280	3.2
83.04906	5.1
85.02839	3.2
86.28556	1.1
87.00748	1.7
87.01765	1.1
89.02327	6.3
89.80803	1.2
95.01285	1.6
95.04922	1.5
96.95920	1.3
97.02835	10.9
97.06508	4.3
99.00771	2.1
101.02335	9.0
103.66280	1.4
109.06503	40.8
109.09665	1.2
110.03636	1.6
110.06851	1.9
111.08041	1.2
113.02361	5.4
121.06477	1.4
123.04465	4.8
123.08033	2.1
125.06034	1.6
125.09627	7.2
127.07560	1.4
135.08122	7.1
136.05202	1.6
137.09653	2.6
142.02599	3.4
144.55548	1.4
161.04512	2.9
161.09671	2.8
163.11214	29.4
165.09033	1.8
165.12877	2.2
171.10176	1.9
172.06491	1.2
175.11288	1.7
179.10669	1.7
181.12311	6.5
185.11813	6.9
187.09763	1.8
189.09172	2.6
191.14389	5.0
207.10242	100.0
208.10507	5.9
209.11806	24.8
211.13451	1.6
221.11786	2.2
223.13399	7.1
225.11313	51.2
226.11635	3.0
235.08185	4.9
237.11313	1.8
243.12282	1.3
245.19154	10.6
253.09308	19.4
263.20142	2.2
289.18204	33.9
290.18387	2.4
291.19644	2.3
299.15225	1.9
305.17581	2.6
307.19214	41.8
308.19296	4.2
309.20706	3.1
399.21741	4.4
417.23071	2.2
443.19458	4.3
461.20313	15.9
462.20789	2.1
479.28177	2.3
497.29266	4.6
609.29523	2.2
635.30872	7.9
653.32056	5.2
715.36798	5.5
733.38342	10.5
734.38666	1.9
751.39258	38.3
752.39178	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	805.5127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
59.01262	2.9
61.98696	0.2
64.04838	0.2
69.03338	0.2
71.01270	2.3
71.57301	0.2
73.02827	0.4
78.95786	0.6
80.96402	0.4
82.95305	0.4
83.01284	0.2
85.02820	0.5
87.00751	0.6
87.63323	0.2
89.02324	2.0
95.04899	0.2
97.02870	0.2
101.02333	2.3
109.49310	0.2
111.08068	0.4
113.02348	1.2
115.43764	0.2
117.83320	0.2
119.03391	0.6
125.74255	0.2
147.83206	0.2
157.28122	0.2
161.04517	1.1
167.10735	0.3
167.89050	0.2
171.10246	0.2
179.05640	0.4
179.14328	0.6
180.80186	0.2
181.12341	0.3
195.13876	8.3
196.14412	0.6
205.12288	0.7
205.15976	0.5
211.13333	0.5
223.13371	5.0
224.13922	0.2
225.15033	0.2
228.13664	0.7
231.21159	0.5
235.08253	0.7
239.12784	0.3
253.09311	17.0
254.09737	0.7
256.13263	1.3
265.21774	0.5
275.20230	5.4
276.20532	0.4
291.19684	0.2
293.21283	100.0
294.18234	0.4
294.21597	7.8
380.29599	0.2
492.22455	0.6
528.38574	0.2
529.30310	1.6
530.30273	0.3
550.30670	0.2
569.42181	2.1
570.42731	0.4
805.40393	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.6
59.01264	2.4
61.98719	0.8
69.03342	0.8
71.01266	3.0
71.56448	0.6
71.56776	0.6
72.99181	1.0
73.02821	1.0
75.00768	1.6
75.20895	0.4
81.03341	0.7
85.02833	2.7
87.00783	0.8
89.02344	0.9
95.01294	0.9
96.00638	0.4
96.95916	3.7
99.00789	2.1
101.02358	1.6
108.02077	56.7
109.02908	10.9
112.08535	0.4
113.02371	2.4
119.03509	0.6
119.04935	0.6
121.02890	1.3
123.00827	0.8
123.04492	0.7
123.08105	0.6
125.02418	0.8
133.02902	0.7
135.04422	1.7
137.02374	0.6
141.12703	0.4
147.04495	1.2
151.03928	1.1
152.01097	100.0
153.01825	6.4
157.12260	1.3
161.02377	0.4
163.03947	4.2
169.12262	0.5
171.10223	0.4
173.77563	0.5
175.02521	0.5
177.01917	1.4
179.03398	1.0
179.05528	0.5
185.11827	1.7
189.29358	0.4
191.03513	1.0
207.03040	0.9
209.11826	1.5
215.12787	1.1
227.12973	0.8
288.02161	0.5
297.06314	0.8
315.07285	1.1
329.23489	1.7
341.23334	0.5
357.26474	1.9
373.26071	1.4
375.27591	20.2
376.27811	1.8
429.10455	11.0
430.10831	1.1
447.11554	0.9
448.36124	0.5
611.31952	0.5
629.23657	0.5
734.26495	0.5
805.38782	79.4
806.38977	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	805.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.0
58.00481	1.1
59.01265	16.3
61.98709	1.0
68.35069	0.3
68.99689	0.3
69.03336	1.5
71.01270	17.2
71.56374	0.6
72.99198	1.2
73.02828	2.6
75.00751	0.6
80.02566	1.0
81.03367	2.1
82.95301	0.4
83.01275	2.3
83.02388	0.6
83.04917	5.2
84.02065	1.0
85.02840	3.2
87.00769	4.6
87.04420	0.4
89.02338	13.9
90.06007	0.3
93.03384	0.4
95.01300	1.3
95.04899	0.8
96.95911	10.1
97.02861	2.3
97.06515	0.3
98.95498	1.1
99.00760	0.7
99.04442	0.6
101.02348	12.0
103.00357	0.4
109.06495	0.6
113.02357	6.7
113.03073	0.6
114.93343	1.2
115.03905	0.4
116.92777	2.1
119.03423	4.2
123.04436	0.4
125.02367	5.1
125.06010	0.5
125.09566	0.4
131.03450	0.6
133.04971	0.5
135.08102	1.0
137.21463	0.3
139.03889	0.5
141.01840	0.5
143.03426	2.6
153.09129	0.4
153.12769	1.1
161.04477	3.0
163.11244	4.0
164.11507	0.4
165.12823	2.2
167.03487	0.7
169.11006	0.6
169.12297	6.6
169.13658	0.6
171.10237	0.8
179.05565	4.6
179.10641	0.7
181.05165	0.3
181.12354	0.8
183.13782	0.3
184.83267	0.4
191.10715	1.0
197.11812	91.3
198.12140	5.2
199.06120	0.5
199.13383	1.2
201.11288	1.0
207.10245	0.6
209.11815	100.0
210.12152	6.6
217.07227	0.7
221.06700	1.0
225.11354	0.9
227.12907	17.7
228.13284	1.1
235.08258	5.1
235.13358	0.6
239.12762	0.5
251.12823	0.6
253.09335	1.2
259.08337	0.6
287.07703	1.6
305.08801	1.5
323.09784	1.3
361.11429	0.4
379.12558	8.0
380.12958	0.8
389.23666	0.4
397.13586	42.0
398.13904	3.0
415.14651	9.8
416.14862	0.4
436.18991	0.3
572.96979	0.4
577.25262	2.4
584.38812	0.3
589.25201	0.7
595.26123	5.1
596.26434	0.6
607.26404	2.1
640.86951	0.3
680.88269	0.3
769.36578	1.2
787.37622	1.3
805.39362	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	805.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01248	26.7
61.98727	37.0
71.01268	26.5
71.56417	9.8
72.99183	7.9
75.00768	13.4
78.95793	47.3
82.74718	7.0
83.04907	6.8
84.02052	5.8
94.00034	7.1
95.04912	6.5
96.62666	5.7
96.95911	17.8
97.02827	8.8
99.00780	7.8
101.02334	13.8
108.67246	6.2
109.06499	12.2
113.02376	9.1
121.38412	7.6
124.47668	6.2
125.02400	8.1
125.09615	17.1
149.11041	5.9
152.99512	14.9
153.09062	10.4
157.46635	6.7
163.11218	12.0
171.10150	40.6
197.11783	14.0
201.11209	13.1
207.10220	55.9
209.11813	100.0
210.12210	8.9
211.13441	11.5
225.11292	49.4
227.12836	25.5
235.08290	11.3
253.09326	11.2
294.14749	6.4
305.17560	27.9
307.19174	34.6
308.19879	7.8
325.20294	35.5
327.21576	7.5
365.53735	8.2
461.20435	14.3
541.26672	7.7
543.28510	9.4
646.68097	6.4
682.31763	8.0
733.38306	65.7
734.38165	8.0
751.39209	65.3
752.38849	15.6
769.40558	52.6
805.37042	79.1
806.38397	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	803.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55229	0.4
60.43583	0.4
61.98707	2.0
71.01270	9.7
71.55255	0.4
71.55613	0.4
75.00758	1.0
85.02851	1.1
89.02339	0.5
96.95905	2.1
101.02362	0.8
113.02364	0.5
116.92776	1.4
127.07568	1.5
128.81833	0.4
148.05206	0.6
151.07593	1.0
163.11278	0.7
164.08356	0.7
171.10231	1.5
175.02420	0.5
177.09193	3.4
192.11522	7.0
197.11771	1.0
205.12334	2.9
207.10257	1.5
207.13875	1.9
209.11823	2.2
211.13387	4.9
218.09457	1.8
220.14680	39.2
221.15460	100.0
222.15817	7.5
225.11336	0.9
235.13354	2.3
236.10551	84.2
237.10936	5.7
253.09407	0.7
262.05695	0.4
293.17645	67.2
294.17941	6.1
341.23486	0.8
387.18909	0.5
397.13373	0.9
415.14410	0.7
540.38330	0.4
610.32507	0.5
713.33917	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.3721
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
59.01258	1.3
61.98716	2.1
68.99705	0.3
69.03335	0.6
70.13889	1.3
71.01262	2.3
72.99188	1.3
73.02831	0.6
75.00768	1.1
78.95805	0.8
80.96418	1.8
81.03352	0.4
83.01285	0.5
85.02839	2.4
87.00773	0.7
87.04391	0.3
89.02345	0.6
94.98014	0.4
95.01280	1.2
96.95920	2.9
97.02839	0.6
97.06529	0.5
99.00783	0.8
101.02363	0.8
105.52194	0.3
108.02075	57.8
109.02169	0.4
109.02901	8.4
113.02369	1.6
121.02869	1.3
122.03685	0.3
123.00798	0.9
123.08069	1.2
125.02377	0.7
125.06084	0.3
133.02872	0.5
134.03635	0.7
135.04437	1.9
139.11197	0.7
145.02907	0.4
151.00328	0.3
151.03973	0.9
152.01088	100.0
153.01851	6.9
153.21426	0.4
157.12253	0.5
163.03951	4.1
165.01904	0.4
171.10204	1.4
177.01895	1.2
179.03429	1.3
185.11803	4.1
191.03494	0.7
207.02930	0.9
209.11783	1.8
214.12070	0.4
225.00679	0.7
255.03108	0.5
285.03995	0.6
297.06119	0.8
315.07394	0.7
355.24985	0.7
372.24527	0.3
373.26028	18.0
374.26266	2.2
429.10474	11.4
429.16382	0.4
430.10727	1.1
447.11176	0.8
713.30872	1.1
785.34064	0.6
803.37189	76.9
804.37531	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	803.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01457	0.3
57.03331	1.1
59.01255	1.0
69.03345	0.6
71.01274	2.0
71.16911	0.4
71.17238	0.3
72.99198	1.1
73.02821	0.8
74.29761	0.2
75.00768	0.4
80.96419	0.5
81.03344	0.3
85.02846	2.6
87.00798	0.4
89.02354	0.5
95.01272	0.8
96.95904	1.3
97.02828	0.5
97.79390	0.3
99.00764	0.7
100.93097	0.3
101.02354	0.9
108.02077	54.9
109.02908	9.6
110.03222	0.4
113.02377	1.8
113.05914	0.3
119.04893	0.3
121.02874	1.0
123.00795	0.8
123.08067	0.7
125.02369	0.9
125.09637	1.1
127.11202	0.7
133.02855	0.7
135.04457	1.6
137.02428	0.3
137.09624	0.5
138.13078	0.3
143.33507	0.3
151.00281	0.5
151.03940	0.8
152.01088	100.0
153.01848	6.1
153.09131	0.3
154.02191	0.3
155.10684	0.5
161.02321	0.3
161.04459	0.5
163.03951	4.5
171.10231	3.7
175.03946	0.6
177.01897	0.9
179.03448	1.2
180.03777	0.3
185.11771	0.9
185.69482	0.3
191.03363	0.5
191.19322	0.3
195.10175	0.3
207.02963	0.8
209.11838	0.3
219.02911	0.3
229.14439	0.3
246.87494	0.3
255.02809	0.4
283.02469	0.4
285.04056	0.8
297.06256	1.0
315.07358	1.4
355.24957	0.5
371.24628	0.3
373.26007	17.9
374.26294	1.7
418.08881	0.3
429.10434	11.3
430.10989	1.3
447.11472	1.3
494.18225	0.3
803.37219	73.4
804.37549	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	803.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.2
61.98724	0.4
66.31554	0.1
71.01263	0.2
71.59438	0.1
75.00772	0.2
78.95792	2.2
79.95623	3.3
87.00773	0.2
94.98058	0.1
96.95911	100.0
96.96786	3.0
97.95840	0.3
98.02383	0.1
101.02328	0.1
102.58099	0.1
108.55844	0.1
108.93828	0.1
109.06419	0.1
123.93307	0.1
129.55371	0.1
152.01022	0.1
163.07635	0.1
163.11201	0.1
171.10208	0.1
197.11850	0.1
207.10249	0.1
209.11827	0.7
225.11377	0.1
227.12816	0.1
253.09367	0.1
265.07687	0.3
267.91367	0.1
285.04169	0.1
387.30261	0.1
397.14035	0.1
483.15567	0.1
574.13928	0.1
765.99298	0.1
803.38086	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	802.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74630	0.2
58.92269	0.2
59.01250	0.2
61.98717	100.0
62.98412	0.3
71.01273	0.5
71.21735	0.5
72.78082	0.2
75.00795	0.2
78.95805	0.4
80.96401	1.1
85.02878	0.2
105.46491	0.2
107.40428	0.2
126.85662	0.2
152.99600	0.3
165.12735	0.2
171.10229	0.3
182.78799	0.2
197.11832	0.3
209.11838	0.8
210.12177	0.2
212.89079	0.2
223.13550	0.2
273.87134	0.2
291.19812	0.3
293.21368	0.2
294.21597	0.3
295.22498	0.2
329.52124	0.2
406.32108	0.2
802.38660	0.8
803.39618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
61.98716	100.0
62.98413	0.2
70.08981	0.2
70.09389	0.3
71.01286	0.3
72.71410	0.1
78.95792	0.3
79.95614	0.2
80.20171	0.1
80.96410	0.6
96.95860	0.1
97.89065	0.1
98.19955	0.1
101.02348	0.1
127.88342	0.1
135.58275	0.1
135.95515	0.1
171.10249	0.2
189.78798	0.1
197.11807	0.1
209.11768	0.8
210.12216	0.3
211.12331	0.1
213.00024	0.1
225.00670	0.1
253.09299	0.1
290.16895	0.1
293.21164	0.1
341.03217	0.1
473.24719	0.1
802.38379	0.4
803.39130	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	801.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.6
59.01258	1.2
61.98714	5.7
69.03347	0.5
70.14311	1.0
71.01273	1.9
72.99197	1.4
73.02854	0.4
75.00771	1.2
78.47220	0.3
81.03336	0.5
83.01254	0.4
85.02849	2.6
87.00777	0.4
95.01270	1.0
96.95919	2.2
97.06490	0.8
98.20467	0.4
99.00753	0.7
101.02343	1.1
107.04903	0.4
108.02074	54.7
109.02898	8.1
113.02307	1.6
121.02859	0.7
122.03642	0.5
123.00778	1.1
123.04434	0.6
123.08054	0.5
125.02401	0.9
125.09631	0.7
133.02859	0.7
134.03697	0.5
135.04437	1.0
137.02328	0.5
137.09586	0.3
139.11209	0.9
147.04486	0.4
148.86868	0.3
151.00279	0.4
151.03909	0.9
152.01086	100.0
153.01846	7.5
157.12366	0.4
159.41849	0.3
161.02397	0.6
161.04558	0.4
163.03944	4.5
165.05481	0.4
171.10272	0.4
177.01843	1.0
179.03433	0.8
185.11804	4.9
191.03438	0.5
207.02908	1.0
209.11835	0.7
213.11443	0.4
214.12097	0.9
215.12711	0.4
243.15952	1.0
297.06177	0.8
311.22348	0.4
315.07312	1.1
341.23419	2.6
353.23441	0.6
371.24457	14.1
372.24753	1.3
404.58627	0.3
429.10437	10.5
430.10767	0.9
447.11459	0.9
453.61893	0.3
535.24841	0.3
801.35638	77.5
802.35974	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	801.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	0.6
61.98713	0.7
62.10847	0.1
68.32147	0.1
69.41302	1.0
71.01269	0.5
72.99179	0.1
75.00788	0.2
78.95793	2.1
79.95625	2.8
81.03358	0.1
85.02821	0.2
89.02354	0.2
96.95911	100.0
96.96900	2.8
97.95867	0.3
98.02358	0.2
101.02342	0.2
109.06465	0.1
151.00175	0.1
171.10202	0.2
197.11746	0.2
207.10310	0.4
209.11847	0.7
211.13365	0.2
228.72137	0.1
253.09344	0.1
265.07761	0.3
281.07257	0.1
291.93616	0.1
357.22867	0.1
801.43304	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	801.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.9
58.10428	0.5
59.01255	1.8
60.11887	0.4
60.94245	0.5
61.98712	2.2
68.61674	0.5
69.03355	0.7
69.49284	1.7
69.49706	2.6
71.01283	2.4
72.99207	1.3
73.02829	1.4
73.32596	0.5
75.00753	0.6
80.69981	0.4
82.24626	0.7
85.02837	3.3
93.03364	0.6
95.01282	1.2
96.95924	1.7
99.00790	1.3
101.02369	0.8
102.34214	0.5
102.81007	0.5
108.02076	62.1
109.02891	11.3
111.00852	0.5
113.02380	0.8
119.04942	0.8
121.02892	1.0
123.00806	0.7
123.04485	0.7
123.08044	0.6
125.09643	0.8
133.02831	0.9
135.04472	1.7
137.09723	0.5
137.52679	0.6
139.11180	0.8
151.03920	0.7
152.01089	100.0
153.01805	6.8
163.03963	4.8
164.99692	0.6
171.10219	2.6
177.01913	1.2
179.03445	0.9
185.11819	2.2
191.03381	1.0
243.15961	0.6
260.46832	0.6
285.94977	0.6
297.06186	1.0
315.07187	1.0
341.23392	3.1
342.23932	0.6
353.23535	0.8
371.19876	1.0
371.24432	14.1
372.24719	1.4
429.10431	9.0
447.11258	1.2
801.35669	77.1
802.35980	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	800.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01259	0.3
61.98715	100.0
71.01260	0.3
71.57272	0.4
78.95802	0.4
80.96418	0.3
109.06490	0.2
123.41406	0.2
171.10284	0.2
176.99773	0.2
182.18507	0.2
193.72099	0.2
197.11836	0.4
207.10359	0.3
208.10551	0.4
209.11880	0.9
210.12187	0.3
211.13351	0.5
216.63660	0.2
226.94135	0.2
293.21387	0.8
294.21729	0.6
309.20886	0.2
310.21219	0.2
385.94217	0.2
403.54819	0.2
410.70520	0.2
555.49426	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
57.52991	0.7
59.01255	3.9
61.98715	15.6
70.10142	3.0
70.10570	1.2
71.01274	2.3
78.95795	1.4
80.96434	1.2
81.03357	1.1
83.04906	3.8
85.02840	0.9
89.02328	2.1
91.56464	0.7
96.95924	1.5
99.59921	0.7
101.02361	2.3
113.02376	1.1
161.04521	1.3
163.06645	0.8
163.11217	3.7
165.12779	2.4
171.10205	3.2
181.12242	1.0
195.13919	2.1
196.93466	0.8
197.11774	0.8
209.11813	100.0
210.12202	6.2
211.13338	1.8
223.13359	2.2
227.12888	10.9
235.08208	3.6
253.09311	9.1
275.20157	4.7
293.21280	38.1
294.21573	2.1
296.11905	1.0
445.20813	3.3
515.18658	0.8
554.05237	1.0
799.35992	1.2
800.47632	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	799.4177
Annotation	Planktocyclin
Peak:m/z	Relative Intensity
58.45805	0.7
59.01248	1.9
61.98711	3.0
63.96115	2.2
69.03359	0.9
69.69964	0.9
71.01270	10.6
71.57069	1.7
73.02840	2.3
75.00759	3.2
78.95800	4.6
78.98479	8.4
79.95623	17.9
80.96410	100.0
81.03365	1.1
83.04899	0.8
85.02836	3.7
86.93224	0.7
87.00751	3.7
94.97987	23.3
96.95909	2.9
96.96890	1.1
97.02841	2.7
101.02316	3.9
106.97996	4.7
122.97474	5.0
125.02394	5.0
127.03923	1.5
134.55916	0.8
134.97517	6.7
136.99080	2.4
146.97572	1.1
148.99077	8.5
152.98566	9.3
164.98582	18.4
167.00021	0.9
171.10201	3.0
201.11316	1.1
206.99635	3.4
207.10307	1.2
209.46022	0.7
225.00745	35.8
225.11267	1.4
226.00911	1.5
249.80780	0.7
255.23309	3.0
277.21674	2.4
336.50314	0.8
410.17529	0.9
453.14346	3.3
525.16632	2.9
537.27557	2.9
539.26105	0.8
709.38605	42.3
710.38782	8.7
781.40515	20.8
782.40393	2.6
799.41632	59.7
800.41943	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	799.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	0.6
58.47750	0.4
59.01255	1.1
60.41387	0.4
61.98709	0.9
63.96123	0.6
69.03361	0.8
71.01266	5.7
72.99195	0.4
73.02831	1.8
75.00760	1.0
78.95795	53.9
78.98472	3.7
79.09089	0.4
79.95628	7.3
80.02587	0.7
80.96410	42.4
81.03350	1.2
82.95957	0.5
83.04927	3.1
85.02856	1.8
87.00768	1.5
94.97984	9.9
95.04923	0.5
96.95927	0.8
96.96868	11.8
96.97495	0.7
97.02854	0.9
99.00761	0.6
99.48499	0.5
101.02345	1.6
106.97997	2.2
109.06480	1.0
116.92760	2.3
122.97529	2.0
125.02386	2.0
125.09648	1.7
127.03908	0.4
127.11230	4.3
129.64500	0.4
134.97498	3.6
134.98412	0.9
136.99081	1.0
148.99097	4.3
149.59816	0.4
152.98526	2.2
152.99535	11.9
155.10712	1.4
163.11240	2.3
164.98578	8.0
165.09167	1.0
165.12825	1.4
171.10223	2.4
181.12244	0.6
183.10223	0.4
191.10719	1.0
199.09726	1.6
201.11307	46.3
201.61740	0.4
202.11676	2.5
206.99698	2.6
207.10300	1.0
209.11813	37.8
210.12114	2.3
223.00154	3.4
225.00752	14.8
225.11420	0.6
226.01103	0.4
227.12964	2.7
241.01195	29.1
242.01642	1.3
245.13902	0.6
255.23338	30.4
256.23688	3.0
259.02338	2.5
277.21793	1.1
297.03940	0.9
315.05008	1.0
377.98874	0.4
381.13492	0.8
399.87064	0.5
454.83136	0.5
467.30222	0.5
525.16669	1.1
537.27319	0.9
553.28156	0.7
637.37958	0.4
648.11505	0.5
709.38599	13.7
710.38892	2.1
715.33459	0.5
781.40863	13.6
782.41620	2.3
799.42389	100.0
800.42719	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	799.232
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.5
59.00995	0.8
59.01264	9.1
69.03340	0.7
71.01272	5.0
71.04869	0.5
71.55917	0.9
72.99206	2.6
73.02831	1.7
75.00767	2.8
77.41701	0.4
83.01238	0.6
83.04906	0.8
85.02841	4.2
87.00772	0.9
89.02353	1.1
95.01279	1.0
96.95911	1.5
99.00758	2.4
101.02321	2.3
103.00317	0.5
105.36996	0.4
107.04916	0.5
108.02076	50.2
109.02895	11.6
113.02361	2.8
118.99778	1.0
119.03455	0.5
119.04902	0.8
121.02853	1.4
123.00808	1.2
123.04439	0.6
125.02325	0.6
127.83316	0.4
133.02930	0.7
134.03645	0.8
135.04446	1.2
144.55708	0.4
147.04431	0.8
151.03969	1.9
152.01089	100.0
153.01869	6.1
161.02373	0.6
161.04485	2.8
163.03961	6.0
165.00072	0.4
175.03845	0.6
177.01892	1.6
177.12846	0.6
179.03505	0.9
191.03471	0.8
193.05025	0.5
207.03036	1.0
207.10356	0.6
221.11821	2.0
239.12859	0.7
255.03130	0.5
271.08319	0.5
297.06201	0.8
315.07251	2.0
403.12350	0.9
429.10446	8.1
429.15771	0.9
447.11523	29.5
448.11865	3.0
477.42087	0.5
533.22485	0.5
561.60797	0.5
637.21100	0.6
651.23132	21.2
652.23541	3.9
695.22607	2.6
711.25372	1.8
713.22925	4.0
714.23303	1.0
755.24164	38.3
756.24640	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	799.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.9
59.00949	0.9
59.01260	9.7
61.98725	1.2
62.41734	0.8
69.03335	1.2
69.46794	6.2
70.77149	0.7
71.01262	6.0
72.99191	2.5
73.02825	2.0
75.00758	3.9
77.69302	0.7
78.95812	0.8
79.90280	0.8
83.01276	1.1
83.04897	1.5
85.02841	5.3
89.02322	2.4
95.01284	2.5
96.95928	2.7
97.02866	1.0
98.19803	1.1
99.00768	2.1
101.02343	2.9
108.02074	54.9
109.02885	12.0
111.20831	0.7
113.02324	3.3
116.84328	0.7
118.99792	1.1
121.02869	1.5
123.00769	1.6
123.04441	0.9
125.02391	0.9
133.02921	0.8
135.04460	2.2
147.04509	1.1
151.03928	1.6
152.01088	100.0
153.01857	6.8
161.04485	2.5
163.03963	5.2
165.05540	1.2
175.02446	1.2
177.01910	1.6
179.03511	1.0
190.58244	0.7
191.03476	2.5
195.06721	0.9
207.03140	0.7
221.11833	2.1
228.98508	0.8
251.20988	0.7
315.07315	2.4
324.83820	0.8
343.11658	1.0
411.10028	0.8
429.10504	7.2
443.83240	0.8
447.11508	27.2
448.11911	2.3
482.32556	0.8
520.63123	0.8
542.51947	0.9
651.23059	30.9
652.22974	4.2
695.22144	3.2
697.24884	0.8
711.25281	2.6
713.23413	2.9
755.24158	36.4
756.24774	7.7
798.49603	1.2
799.34052	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	791.4377
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57452	10.2
58.61602	10.2
59.01240	10.5
61.98717	29.2
69.50076	10.4
78.95789	97.0
90.85266	11.8
152.99513	45.3
202.88715	11.0
209.11842	100.0
210.12221	13.2
229.35307	13.6
267.62268	11.4
277.21799	71.2
293.21332	15.6
343.25018	17.3
556.12134	11.4
791.42102	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4553
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.8
58.00477	0.4
59.01262	11.1
61.98717	2.0
66.93031	0.4
69.03343	2.0
70.87112	0.4
71.01273	3.8
71.04905	0.8
73.02831	0.9
83.01292	0.4
83.04919	0.6
85.02824	1.0
85.06490	0.5
87.00800	0.9
89.02343	2.8
96.95914	0.8
101.02348	4.0
109.06516	0.7
111.08038	0.6
111.28501	0.4
113.02338	1.8
119.03429	1.0
119.45242	0.4
134.21346	0.4
143.03387	0.7
147.85074	0.4
149.09608	0.4
152.99507	0.7
161.04533	2.1
161.05693	0.4
167.10742	2.8
171.10233	1.7
177.12753	0.7
179.05553	1.1
179.10721	1.2
179.14352	2.9
195.13893	14.9
196.14334	1.3
199.09712	0.5
201.11377	1.1
205.12314	9.4
207.10330	1.0
209.11795	0.8
211.13332	0.9
217.00276	0.4
223.13400	100.0
224.13727	6.5
225.11353	0.9
225.15010	0.6
228.13733	0.7
229.41563	0.7
235.08237	5.0
253.09315	17.2
254.09607	0.6
256.13220	1.0
275.20190	4.9
276.20511	0.7
277.21802	3.4
278.22174	0.8
293.21295	82.2
294.21603	6.9
383.02197	0.4
385.41531	0.4
441.21506	1.1
459.22461	17.8
460.22784	1.3
499.34335	1.7
529.30322	3.3
721.41687	0.6
735.43353	5.1
736.43738	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	791.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88668	0.3
57.03342	0.3
59.01274	3.0
63.02298	0.4
64.59423	0.2
65.00218	0.5
67.01759	0.3
69.42024	2.3
71.01271	3.9
72.99189	0.7
73.02837	0.3
75.00769	1.5
83.01256	0.6
85.02847	4.1
86.05401	0.3
87.00764	1.1
89.02325	0.6
95.01293	1.6
96.95918	0.8
99.00776	1.9
101.02390	0.3
103.00288	0.3
107.01297	1.2
108.02094	1.5
108.99125	0.2
109.02890	0.4
113.02364	3.8
115.00294	0.6
117.01888	0.4
120.68311	0.3
121.02874	0.5
129.01848	0.4
133.02867	3.5
135.04442	0.3
139.00298	1.0
140.01051	0.6
141.01888	0.4
149.02412	1.3
151.00301	3.4
152.01093	2.9
153.01851	0.8
154.02663	0.6
155.03447	0.6
159.94078	0.2
161.02393	0.3
166.02628	0.4
170.29764	0.3
175.02385	1.1
175.03972	1.8
177.01912	0.3
199.03900	1.0
201.01993	0.6
207.06627	0.4
211.04041	0.6
213.05478	0.4
215.03583	0.4
217.05042	0.9
241.05026	0.7
243.02989	0.5
251.09378	0.3
255.03021	11.9
256.03714	2.4
268.03873	0.3
269.04559	0.7
283.02573	7.3
284.03323	10.4
285.04099	100.0
286.04453	7.0
297.04114	1.1
298.04849	0.7
299.05627	1.5
317.08789	1.5
327.05243	2.3
357.06281	0.9
361.18726	0.3
399.07431	0.5
432.14450	0.3
443.06326	0.9
447.09042	1.3
460.06674	0.8
461.07355	54.5
462.07712	5.2
474.08237	0.4
475.08966	5.0
503.08362	7.2
504.08701	0.8
515.08179	0.4
563.10217	0.4
623.12708	4.6
624.13232	0.9
629.11700	0.3
629.22284	0.6
791.16980	4.0
791.30316	2.0
792.16943	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3853
Annotation	Unknow
Peak:m/z	Relative Intensity
58.72688	3.4
59.01260	13.6
60.44576	3.4
61.98719	19.6
62.69831	3.8
66.79802	3.8
67.20049	3.2
69.73161	16.9
69.73575	7.4
71.01273	16.8
78.95792	20.9
83.04904	5.4
87.00762	5.1
88.98684	6.6
89.02326	4.6
96.95926	10.9
97.71060	3.6
101.02345	6.1
109.06503	6.6
143.24710	3.3
152.99527	8.1
170.43927	4.0
171.10199	14.8
181.12482	4.8
181.72861	4.0
185.11821	6.1
207.10278	14.3
209.11816	100.0
210.12061	6.7
211.13448	5.0
225.11317	9.4
227.12924	15.8
235.08224	7.2
245.19109	6.6
253.09216	18.3
289.18115	37.2
291.19745	7.6
307.19208	52.1
308.19778	4.8
309.20801	19.1
379.70410	4.7
392.47791	3.6
461.20316	4.7
735.39667	11.9
745.55463	4.2
753.40875	13.7
789.37543	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	787.4507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.3
57.03330	0.7
58.00483	0.6
58.00746	0.2
59.01264	5.8
60.61071	0.2
61.98711	1.0
66.59032	0.2
68.99722	0.2
69.03345	1.1
71.01270	8.0
71.01670	0.4
71.04910	0.3
72.99172	0.4
73.02830	1.3
75.00772	0.3
78.95799	0.5
79.05411	0.2
80.02563	1.2
81.03355	1.7
83.01271	0.9
83.04917	4.9
84.02061	2.4
84.05233	0.2
85.02852	1.8
87.00786	1.5
89.02341	3.2
91.03938	0.3
93.03347	0.3
95.01311	0.5
95.04927	1.5
96.95911	2.7
97.02853	1.0
97.06490	4.1
98.20546	0.5
99.00780	0.8
99.04427	0.7
100.01547	0.2
100.31594	0.2
101.02348	4.7
107.04921	0.6
109.06503	1.0
111.00788	0.3
111.04430	0.3
111.08071	0.7
113.02346	2.3
115.07516	0.2
116.92780	3.1
119.03421	1.0
121.02883	0.2
123.08080	0.4
125.02358	0.6
125.05989	1.6
125.09631	2.0
127.07585	0.4
127.11209	1.1
135.08089	1.3
137.09625	0.6
139.07594	1.5
141.01617	0.2
143.03412	0.4
145.04976	0.6
151.07593	0.3
151.11201	0.3
153.09105	0.8
155.10710	0.5
161.04515	2.1
161.20395	0.2
163.11237	4.3
164.11407	0.2
165.09174	0.3
165.12781	2.7
167.10638	0.3
169.08679	1.9
169.12300	0.4
171.10222	15.9
171.94803	0.2
172.10550	0.8
177.09106	0.4
177.12828	0.4
179.05562	0.7
181.12300	0.9
183.10204	0.3
183.13882	0.9
184.09116	0.2
185.11798	1.3
189.05124	0.2
191.10809	1.3
193.12314	4.8
194.12692	0.2
195.10191	0.2
197.11833	1.5
199.09732	0.5
199.13396	0.5
201.11308	14.9
202.11642	0.8
207.10350	1.7
209.11815	100.0
210.12148	5.3
211.13409	1.8
213.11272	0.4
221.11768	0.8
223.13365	0.3
225.11423	3.4
225.14955	7.0
226.11659	0.3
226.15224	0.4
227.12891	11.5
228.13243	0.6
229.14528	0.2
235.08244	5.6
237.15016	0.4
239.12881	0.4
239.17032	0.2
243.12350	0.4
243.15991	2.7
253.09325	15.4
253.14659	0.5
254.09654	0.6
261.18576	0.2
273.18427	0.2
287.16641	0.5
289.18060	0.9
291.19556	0.9
305.17764	3.0
305.21326	0.6
306.17947	0.4
307.19284	1.4
309.20685	0.3
323.18710	0.7
323.22339	0.9
325.20291	2.4
327.21872	0.6
341.23386	47.3
342.23773	4.2
384.40012	0.2
393.22845	0.3
407.19119	0.3
437.20615	0.4
445.21057	1.7
461.20410	0.7
463.21460	0.4
479.21811	0.2
533.34851	2.1
534.35388	0.3
541.26758	0.9
551.35510	0.3
559.31335	0.3
577.32428	1.3
733.37427	0.2
751.39435	0.7
769.40253	0.7
787.41260	1.2
788.42273	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.7
58.00469	0.6
59.01262	5.8
61.98705	1.1
63.12613	0.4
69.03340	1.0
70.53416	1.2
70.67207	0.3
71.01268	11.3
71.04909	0.7
72.02041	0.4
72.99199	0.6
73.02829	1.9
75.00767	0.8
78.95809	0.8
80.02561	1.3
81.03355	1.3
83.01267	0.7
83.04919	5.2
84.02050	2.6
85.02848	2.0
87.00774	2.0
89.02347	2.8
93.03316	0.5
95.01318	0.8
95.04929	1.7
96.95917	7.7
97.02850	1.0
97.06481	3.7
98.03614	0.4
99.00763	1.3
99.04404	0.5
99.92502	1.3
101.02335	4.1
106.04167	0.6
107.04953	1.0
109.02870	0.4
109.06488	1.3
111.04354	0.4
113.02340	2.7
116.92769	13.3
116.97176	1.0
117.01820	0.6
117.92806	0.9
119.03445	0.8
121.06519	0.4
123.08097	0.8
125.02334	0.5
125.05987	3.2
125.09605	2.2
127.07569	0.4
127.11201	1.4
127.36452	0.4
135.08075	1.4
137.09624	0.5
139.07600	2.5
141.09108	0.9
145.04997	0.9
151.07564	0.7
153.09152	1.3
155.10686	0.7
161.04538	1.7
161.09674	0.4
163.11234	3.8
164.11606	0.4
165.09200	0.9
165.12787	2.6
169.08652	3.5
171.10222	17.0
172.10561	0.7
177.09177	0.3
179.05618	0.8
181.12300	1.1
183.10242	0.4
183.13852	0.8
185.11784	1.5
191.10754	1.5
193.12323	3.4
197.11746	2.2
199.09694	0.8
199.13422	0.7
201.11295	21.6
202.11674	0.4
207.10284	2.4
209.11810	100.0
210.12189	6.5
211.13371	1.9
213.11372	0.5
214.39774	0.4
215.12799	0.6
225.11377	3.8
225.14880	4.2
227.12881	11.4
228.13239	0.6
235.08261	5.1
243.15987	2.2
253.09308	14.2
254.09717	0.8
287.16592	1.1
289.18152	1.3
291.19736	0.8
305.17648	4.7
306.17801	0.4
307.19199	2.8
309.20694	0.4
323.18777	1.2
325.20221	2.4
327.21722	0.6
335.22549	0.4
341.23392	31.2
342.23746	3.0
375.21817	0.4
405.17120	0.4
407.19458	0.6
437.20572	0.7
445.20639	2.1
461.20349	1.1
463.21411	0.4
533.34772	0.8
541.26855	1.4
543.28192	0.9
577.32239	0.5
733.38879	0.6
751.39661	0.9
769.40424	0.6
787.41705	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	787.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01274	39.5
61.98713	35.4
63.45465	5.8
71.01266	100.0
71.37883	10.7
73.02870	7.5
75.00773	8.3
78.95792	64.5
79.59492	5.9
81.03423	5.7
85.02830	8.4
86.86632	5.8
89.02345	11.4
94.79839	5.7
99.00759	10.3
101.02357	15.3
109.06496	28.3
113.02348	9.1
152.99529	23.2
163.11244	22.2
163.15303	5.8
171.10263	34.1
171.11481	6.2
181.12321	11.6
185.11792	10.0
195.13910	13.5
197.11853	8.8
201.11389	11.5
207.10243	91.1
209.11809	92.3
223.13379	8.8
225.11308	46.2
227.12744	12.3
235.08238	11.4
243.12363	8.2
253.09341	51.7
275.20355	6.4
289.18246	35.3
291.19754	59.2
293.21320	96.1
294.21780	9.6
307.19186	37.6
309.20712	12.1
367.73138	6.7
461.20297	18.1
483.48331	6.4
635.30701	11.6
733.38422	24.0
751.39331	49.7
752.39410	9.1
787.37732	27.1
787.43774	33.0
788.44183	12.5
799.03503	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	786.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01238	0.1
61.98716	100.0
62.98418	0.1
69.99889	0.3
71.01286	0.1
78.95809	0.2
79.95626	0.1
80.96409	0.5
94.97965	0.1
98.20454	0.1
101.02335	0.1
152.99605	0.1
163.11296	0.1
164.98590	0.1
171.10330	0.1
195.14131	0.1
209.11829	0.9
210.12161	0.7
211.12364	0.3
225.00729	0.1
227.12962	0.1
253.09338	0.1
277.21811	0.5
278.22079	0.4
279.22626	0.2
284.60864	0.1
292.52444	0.1
293.21362	0.1
295.23026	0.2
334.06137	0.1
357.10077	0.1
358.02228	0.1
359.22058	0.1
591.32294	0.1
591.41522	0.1
624.65057	0.1
731.06323	0.1
786.38373	0.2
786.51892	0.3
787.39984	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	786.4303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	0.1
61.98718	100.0
62.98408	0.1
69.66441	0.4
71.01280	0.2
78.95815	0.3
79.95638	0.1
80.96408	0.9
82.95979	0.1
94.97978	0.2
101.02350	0.1
152.98566	0.1
158.73492	0.1
171.10287	0.1
209.11786	0.7
210.12186	0.6
211.12326	0.2
225.00798	0.1
229.13585	0.1
253.09566	0.1
277.21799	0.8
278.22098	0.8
279.22556	0.4
280.22845	0.2
295.23032	0.1
327.22046	0.1
786.39465	0.6
786.51483	0.2
787.39709	0.3
787.51428	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	785.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.5
57.03333	2.0
57.88449	0.4
59.01266	8.0
61.98722	3.5
67.01765	0.5
67.53828	0.5
69.03344	4.9
70.72293	1.5
70.72651	0.6
71.01266	9.6
71.04914	2.4
73.02832	1.7
75.00771	1.1
78.56759	0.5
78.95789	0.7
79.95613	0.6
81.03353	0.9
83.01274	1.6
83.04919	1.9
84.02067	1.1
85.02849	2.6
87.00779	2.0
89.02330	3.7
92.92732	0.5
95.01264	0.6
95.04939	1.2
96.95911	32.7
97.02863	1.4
97.06525	1.3
99.00788	1.2
99.04431	0.5
99.08052	0.7
101.02341	4.7
105.11085	0.5
109.02869	0.9
109.06506	1.7
109.49839	0.5
111.08105	0.7
113.02342	2.7
114.93340	0.5
119.03414	0.9
121.02893	0.7
123.08072	1.6
125.09624	4.3
127.07562	2.5
135.08089	0.8
139.07527	0.7
141.01711	1.0
149.09674	0.6
151.11227	2.0
152.07202	0.5
153.09119	2.9
153.12776	1.2
161.04485	1.0
161.09662	3.1
163.11218	1.7
165.12830	1.0
171.10239	6.2
178.09929	0.5
179.10759	7.6
180.11099	0.9
185.11790	6.2
191.10582	0.6
197.11813	63.7
198.12129	3.5
199.13251	0.7
201.11287	0.6
207.10207	3.2
209.11806	21.2
210.12160	0.9
211.13303	0.8
219.10233	0.8
221.11821	0.7
223.09766	1.7
225.11317	2.3
227.13014	0.9
235.08253	1.4
241.10846	3.7
245.18997	0.6
251.16570	0.5
253.09358	3.6
264.35690	0.5
289.18277	2.6
305.17596	1.0
307.19226	8.8
309.20895	0.5
309.25146	0.5
325.20236	2.0
341.23376	0.9
459.18802	0.5
477.19855	2.2
623.02350	0.6
767.38776	5.7
768.38770	1.4
785.39838	100.0
786.40192	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	1.5
61.98719	5.3
67.15916	0.3
71.01274	0.8
71.58304	0.3
77.03824	0.3
87.48290	0.3
89.02323	0.3
91.01821	0.5
108.90110	0.9
111.08136	0.3
121.02867	100.0
122.03190	3.7
136.01599	0.8
163.11287	0.2
165.01851	2.2
171.10255	0.5
180.05745	0.4
181.05063	0.5
181.06552	2.0
189.09143	0.2
191.03511	2.0
197.06070	0.3
197.11812	5.2
199.13295	0.3
207.10124	0.5
209.04532	69.8
209.11833	1.6
210.04868	3.7
213.47797	0.3
223.13443	0.7
225.05569	2.3
225.11363	0.6
226.05890	0.2
235.08365	0.3
246.28694	0.2
253.09282	0.9
255.20149	0.2
276.99185	0.3
289.18045	0.3
291.19614	0.7
293.21384	0.3
309.20792	2.0
313.07220	4.0
314.07397	0.4
354.98413	0.3
357.06223	1.5
401.08823	10.4
402.09097	1.4
433.21097	0.5
549.10754	0.5
575.12195	0.6
711.22620	0.3
741.15118	0.6
785.17401	1.7
785.40381	0.5
786.17828	0.3
789.76923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54845	0.3
55.01759	0.4
57.03336	0.3
59.01263	4.8
61.98708	2.3
63.96115	0.6
65.35017	0.2
69.03344	0.5
71.01270	6.6
71.57409	0.5
72.99203	0.6
73.02845	1.7
74.72353	0.3
78.95792	0.9
78.98476	2.9
79.95621	4.9
80.02563	0.9
80.96408	31.6
81.03344	1.1
83.01269	0.8
83.04917	3.1
85.02848	2.2
87.00768	2.5
89.02327	1.9
94.97980	5.9
95.04921	0.8
96.95934	0.4
97.02855	0.9
99.00777	0.5
101.02340	3.5
106.97996	1.3
109.06508	0.3
113.02362	1.2
113.83059	0.2
119.03397	0.7
122.97481	1.4
125.02367	1.4
125.05994	0.5
125.24503	0.3
127.07583	0.3
134.97479	2.0
135.08099	0.4
136.99126	0.5
143.03421	0.5
145.04961	0.8
148.99074	2.3
150.48064	0.3
150.97311	0.3
150.98746	0.2
152.98512	2.4
161.04491	1.4
163.11234	2.5
164.98587	5.2
165.12801	1.9
181.12341	0.4
191.10712	0.8
201.11342	0.6
206.99677	1.3
207.10117	0.4
209.11813	75.7
210.12129	5.0
225.00749	10.4
227.12883	9.8
228.13058	0.5
233.22726	0.4
235.08237	6.2
236.08533	0.3
253.09306	8.6
254.09697	0.4
255.23468	0.4
259.20798	0.3
277.21771	100.0
278.22116	9.4
295.22592	0.3
445.20865	0.8
483.15323	0.8
509.17068	0.4
513.30878	1.3
527.17761	0.7
537.27704	0.8
739.39484	1.6
740.40320	0.4
783.42169	32.2
784.42389	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	783.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	3.7
61.98720	2.0
63.64346	0.3
63.96128	0.4
69.03349	0.4
71.01264	3.7
73.02838	0.8
73.62340	0.3
77.82813	0.3
78.95792	1.0
78.98483	1.0
79.95621	2.8
80.02568	1.0
80.96407	13.9
81.03362	1.4
82.35402	0.3
83.01279	0.5
83.04910	4.5
84.02063	0.6
85.02840	1.0
87.00777	0.9
89.02338	1.5
94.71187	0.3
94.97979	2.9
95.01298	0.4
95.04891	0.5
96.95882	0.5
97.02854	0.6
101.02341	2.8
106.98003	0.7
113.02343	1.1
119.03397	0.7
122.97512	0.5
125.02359	0.9
125.06059	0.5
130.86110	0.3
134.97501	1.1
135.08084	0.5
143.03423	0.5
148.99065	1.6
152.98589	1.1
161.04556	0.8
163.11241	3.0
164.98555	3.1
165.12782	1.9
181.12239	0.5
191.10660	0.8
205.04929	0.3
209.11809	100.0
210.12137	6.3
225.00708	4.6
227.12880	11.8
228.13165	0.7
229.59052	0.3
235.08173	1.5
253.09341	6.6
254.09775	0.5
277.21777	48.9
278.22092	4.7
445.20575	2.0
459.34366	0.4
483.15689	0.4
537.27850	0.4
724.95258	0.4
739.39410	1.1
783.42126	21.2
784.42413	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	783.4216
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.9
61.69361	0.5
61.98721	4.0
62.47559	0.5
63.96119	1.3
66.61261	0.5
69.03339	0.7
69.70482	0.5
70.88255	0.5
71.01267	11.1
71.56580	1.0
72.62820	0.5
73.02824	2.0
78.14034	0.6
78.95803	1.5
78.98483	7.0
78.99962	0.5
79.22988	0.5
79.95624	13.3
80.02570	0.7
80.96408	80.9
81.03353	1.7
82.95988	0.9
83.01287	0.8
83.04911	4.0
85.02832	4.1
87.00747	3.3
89.02342	1.2
94.97980	18.1
95.01279	0.8
95.04911	0.7
96.95914	1.6
97.02853	1.4
99.00793	0.7
101.02341	5.6
106.97978	3.9
113.02312	1.2
122.97494	3.2
125.02380	4.6
127.03914	1.1
134.97482	6.2
135.08138	0.7
136.99052	2.2
137.21788	0.5
143.03348	0.8
148.99080	6.5
152.98549	6.4
152.99631	0.5
161.04517	1.5
163.11168	2.8
164.98572	13.5
165.12788	1.7
179.05544	0.8
191.10762	0.8
201.11322	1.9
206.99722	2.3
209.11813	79.1
210.12099	4.0
225.00752	27.3
226.01108	0.5
227.12878	9.2
228.13219	0.6
235.08316	3.2
253.09296	7.3
255.23273	1.9
277.21780	56.1
278.22134	5.0
445.20993	1.6
483.15567	2.6
509.16959	0.9
527.18164	2.3
537.27515	2.1
739.39459	5.7
740.39459	0.9
742.49786	0.6
765.41614	1.2
783.42181	100.0
784.42493	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	781.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
59.49439	0.5
61.98711	1.3
63.96123	0.7
64.31218	0.4
69.03352	0.6
70.80010	1.3
71.01270	4.1
73.02853	0.7
78.95795	34.7
78.98481	2.5
79.93414	0.5
79.95619	5.9
80.02556	1.3
80.96410	32.8
81.03359	1.1
83.04920	4.3
84.02075	0.9
85.02843	1.3
87.00757	1.2
94.95631	0.5
94.97997	8.0
96.95894	0.8
96.96872	7.3
97.02847	1.0
101.02332	1.0
106.98013	1.1
122.97498	1.2
125.02349	1.7
125.09645	0.5
134.97507	2.3
135.08115	0.9
136.99118	0.6
138.79349	0.5
148.99083	2.4
152.98508	2.2
152.99524	7.1
163.11209	3.5
164.98582	5.9
165.12776	1.4
167.00206	0.5
181.12343	0.9
191.10771	1.1
206.99623	1.4
207.10229	1.0
209.11819	32.8
210.12204	1.9
223.00262	2.5
225.00731	12.5
225.11250	0.9
227.13004	2.6
241.01228	16.3
242.01494	0.8
255.23325	21.1
256.23636	2.4
259.02243	1.2
277.21677	0.7
293.51202	0.5
297.03851	1.0
363.12131	1.0
391.22559	1.2
525.16882	1.6
537.27222	0.9
709.38348	0.6
763.39703	5.6
764.39880	1.0
781.41193	100.0
782.41626	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	779.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.6
59.01266	20.6
61.98710	1.1
69.03342	2.0
70.61401	1.4
71.01287	2.7
73.02859	0.6
78.95795	26.6
80.96407	0.8
81.03342	0.8
83.04912	0.8
83.12492	0.5
85.02837	0.7
89.02347	2.5
96.96874	6.2
97.02237	0.5
97.02846	2.1
101.02339	3.4
109.06494	7.4
113.02368	1.5
113.30277	0.5
135.08063	1.1
137.35968	0.5
142.02681	0.8
149.09686	0.6
150.92126	0.6
152.99519	6.3
154.19469	0.6
161.04469	1.7
161.09735	1.0
161.76746	0.6
163.11253	4.3
167.10747	2.4
179.05577	0.7
179.10756	0.7
179.14413	3.0
181.12347	3.4
195.13872	7.7
205.12350	10.4
207.10260	14.6
208.10628	0.9
223.00153	1.6
223.13402	100.0
224.13707	5.8
225.00690	0.8
225.11320	12.1
235.08287	1.9
237.71461	0.5
241.01205	13.3
253.09349	6.6
255.23354	15.9
256.23691	1.7
259.02335	0.7
277.21783	64.4
278.22104	5.8
299.78519	0.6
315.04999	0.6
316.66782	0.6
341.54001	0.6
361.10422	0.8
391.22488	1.3
441.21274	3.1
459.22485	18.3
460.22998	1.8
513.30847	0.7
553.28345	1.2
719.44171	2.4
779.40009	47.6
780.40448	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	779.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	12.0
61.98705	1.7
71.01269	8.5
71.56236	1.1
72.99191	1.4
73.02843	1.5
75.00758	3.0
78.95779	1.6
85.02815	3.3
87.00786	1.4
89.02344	5.4
94.06528	1.7
95.03645	2.4
95.04896	1.0
96.95917	17.7
97.96912	0.9
99.00771	1.1
101.02339	3.5
106.06517	5.1
107.03632	1.0
107.04953	2.3
108.02070	2.2
108.04447	2.3
108.08101	29.7
112.03954	1.2
113.02338	4.6
116.00227	1.0
119.03391	1.9
120.04442	2.2
121.02850	1.5
122.06034	12.1
123.03156	1.5
124.04037	1.0
124.07615	5.9
132.04480	61.7
133.02919	1.6
133.05286	18.6
134.06056	21.2
138.05550	1.2
147.04393	1.4
148.03981	3.9
149.04816	5.7
150.03101	1.5
150.05559	33.7
151.03911	3.1
152.01038	1.6
152.07074	3.3
161.02417	1.4
161.04572	1.9
161.05917	1.3
162.05545	5.6
163.03870	1.0
165.04277	38.0
165.05542	4.2
175.03949	5.7
176.07114	3.8
186.09212	2.5
191.03464	3.6
193.05009	4.2
195.06615	2.0
198.09271	1.8
209.11795	2.5
212.10779	2.3
213.06715	3.3
214.12375	5.2
215.11867	12.3
216.12270	1.4
223.06091	2.9
226.07483	2.6
227.08229	3.7
229.09827	6.8
229.13499	4.4
239.08269	1.2
239.11925	1.7
240.10617	6.4
241.09831	10.7
241.13460	1.4
253.07108	3.3
253.13467	4.2
255.11465	9.0
257.12994	85.9
258.13351	5.9
265.09683	1.8
267.11542	2.5
268.08548	1.5
269.12961	2.0
270.13687	2.3
271.14566	19.1
272.14783	1.6
283.10944	31.8
284.11163	3.8
300.11227	1.8
301.12015	25.8
302.12326	1.6
309.23380	1.0
313.09164	1.4
318.76242	1.1
327.09839	4.0
392.19281	2.2
393.17133	1.3
404.20047	2.3
420.83078	1.4
533.53546	1.1
542.84174	1.2
557.24182	22.9
558.24335	4.3
581.24249	5.7
599.24988	2.3
675.32056	3.5
693.33038	2.4
761.30579	53.8
762.30933	11.1
779.31647	100.0
780.31580	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	775.4663
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	0.1
71.01257	0.1
71.56611	0.1
75.00778	0.1
78.95793	1.9
79.95628	2.6
83.02400	0.1
94.98012	0.1
96.95913	100.0
96.96790	2.9
97.95839	0.4
97.96333	0.1
98.02390	0.4
108.02033	0.1
113.02351	0.1
125.45091	0.1
127.75607	0.1
152.01083	0.1
163.22835	0.0
171.17697	0.0
197.07959	0.1
204.03981	0.1
242.61703	0.1
293.60403	0.1
653.02997	0.1
716.50708	0.2
775.34424	0.1
775.47388	0.2
776.46869	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	775.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	1.0
59.01273	2.8
60.24503	0.4
65.00232	0.5
67.01775	0.4
68.99699	0.5
70.00182	0.4
70.00465	2.4
71.01274	3.7
72.99192	0.6
73.27534	0.4
75.00761	1.5
85.02839	5.1
87.00781	1.5
89.02321	0.7
95.01296	1.1
96.95914	0.5
99.00795	2.1
101.02432	0.4
105.83994	0.4
113.02364	5.5
116.92763	2.4
117.01867	0.7
123.04435	11.6
129.01805	0.5
133.02861	1.0
151.00298	1.9
153.05518	11.2
154.05858	0.6
161.02438	0.4
165.37720	0.4
175.02425	1.2
183.04477	1.0
199.03947	0.6
227.03487	1.3
255.03026	81.4
256.03690	17.5
257.04037	1.0
269.04596	0.7
283.02548	100.0
284.03268	56.2
285.04062	24.8
285.06644	0.3
286.04401	2.0
297.04044	2.4
311.05786	0.5
327.75534	0.5
407.07510	0.5
407.76776	0.4
437.08862	27.0
438.09149	3.6
442.05505	0.8
443.06342	0.7
461.07358	1.8
463.06552	0.5
595.11151	3.3
599.14093	12.0
600.14349	1.6
609.11407	0.5
613.12091	14.2
614.12646	2.5
715.05688	0.5
746.83740	0.5
757.16315	0.7
775.17426	26.1
776.17389	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	775.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35712	1.9
55.11521	2.7
59.01253	4.6
61.98718	24.8
68.18981	2.1
71.01254	6.0
72.41508	2.2
73.73129	2.3
78.95796	12.6
91.49779	2.6
96.95905	5.0
98.95501	2.3
152.99464	3.8
171.10197	5.4
195.13885	4.5
209.11815	72.9
210.12167	4.5
213.39305	2.5
223.13278	3.0
227.12851	19.7
251.30177	2.8
253.09293	19.9
275.20172	7.9
293.21289	100.0
294.21698	8.0
356.94122	2.5
445.21207	3.6
449.17474	3.3
529.30035	5.7
775.40662	51.7
776.41443	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	773.435
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
58.00481	0.6
58.37272	0.4
59.01258	6.9
60.05997	0.4
61.98716	1.1
69.03318	0.6
71.01260	5.0
71.04900	0.4
71.26240	0.9
72.99209	0.5
73.02843	1.3
75.00767	0.8
80.02565	1.1
81.03342	1.5
82.95328	0.4
83.01245	0.6
83.02389	0.3
83.04914	4.6
84.02061	0.9
85.02844	3.5
87.00761	1.0
88.98714	0.4
89.02327	3.1
95.01286	0.7
95.04921	1.3
96.00805	0.3
96.95907	6.4
97.02877	0.9
97.06470	2.8
98.95469	0.9
99.00794	0.8
101.02348	4.7
109.06512	0.8
113.02353	3.5
116.92744	0.7
119.03445	1.0
125.06013	0.5
125.09615	1.1
127.11179	1.1
131.03345	0.4
135.08064	0.6
137.09596	0.5
137.46805	0.4
138.38278	0.4
141.12779	0.4
145.05026	0.9
155.10738	0.9
161.04520	2.1
163.11255	3.9
165.12825	2.7
171.10222	8.5
177.12772	0.7
179.05566	0.7
181.12329	0.9
183.13866	1.8
185.11867	0.9
191.10773	0.9
193.12337	0.9
199.13252	0.4
207.10210	0.6
209.11813	100.0
210.12151	6.8
211.13382	10.8
221.11858	2.0
225.11337	1.7
227.12886	14.2
228.13177	0.8
229.14432	8.3
230.14778	0.8
235.08244	7.8
239.12904	1.7
247.20665	0.4
253.09317	19.9
254.09674	1.3
283.02502	0.6
284.03320	1.8
285.04086	1.4
286.04590	0.5
291.19769	4.1
292.20142	0.5
309.20755	8.3
310.21082	0.9
327.21829	59.1
328.22174	5.7
445.20969	2.6
447.09122	0.5
461.07303	0.5
519.33417	1.3
545.29425	1.9
563.30981	2.9
593.82703	0.4
741.32721	0.4
773.42603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80538	2.3
59.01258	13.7
61.98721	13.5
71.01269	7.6
71.59397	2.9
73.02853	2.5
74.08833	2.4
75.00752	4.7
78.95811	3.8
79.95650	2.4
82.95332	2.2
83.01266	3.2
83.04899	5.1
85.02845	3.0
89.02355	4.1
96.95909	42.5
98.95509	6.3
101.02339	4.3
113.02338	4.4
116.01274	2.0
116.92776	8.2
121.32518	2.1
148.05154	2.7
151.00253	3.0
163.11136	4.4
171.10164	3.6
179.44847	2.2
206.50964	2.5
209.11809	100.0
209.13818	4.8
210.12167	8.2
211.13474	2.1
225.11320	4.4
227.12894	26.1
228.13232	3.0
235.08365	3.0
253.09380	5.4
255.03030	4.7
284.03284	6.4
285.04120	4.9
291.69861	2.4
327.21829	8.2
445.20923	13.2
446.08670	2.8
637.32178	5.3
673.34827	3.0
696.04749	2.5
698.24036	2.7
773.37390	37.7
774.37988	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	773.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	0.5
61.98719	1.0
64.08195	0.1
71.01266	1.3
71.57105	0.2
71.57456	0.1
75.00753	0.1
76.41641	0.1
77.35632	0.1
78.95377	0.2
78.95796	2.4
79.95629	2.6
87.00739	0.1
89.02329	0.1
94.92398	0.2
96.95911	100.0
96.96896	2.9
97.95840	0.4
101.02325	0.3
109.06516	0.2
111.18851	0.1
113.02359	0.1
116.92638	0.1
116.98666	0.1
118.96548	0.2
146.96014	0.1
152.99577	0.2
158.62872	0.1
169.12207	0.2
171.10205	1.3
187.18494	0.1
189.36789	0.1
199.09785	0.2
201.11298	0.3
207.10219	0.4
209.11769	0.3
209.63144	0.1
211.13225	0.2
225.11400	0.2
241.71652	0.1
253.09366	0.3
255.75705	0.1
277.21783	0.3
291.19736	0.2
293.21335	0.5
309.20749	0.1
311.22476	0.2
361.04099	0.1
397.13644	0.3
407.17502	0.3
415.14355	0.2
435.08282	0.5
440.81229	0.1
453.09186	0.9
564.85522	0.1
713.30908	1.1
714.31183	0.2
773.42963	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01744	1.4
55.54132	1.3
57.03339	3.2
58.00484	2.1
59.01265	25.1
61.98705	2.4
65.10129	1.3
68.99763	1.4
69.03344	1.9
69.94324	6.3
71.01268	60.8
71.04906	1.6
72.99197	2.5
73.02837	6.3
75.00774	2.9
78.95774	2.6
81.03347	2.9
81.50404	1.2
83.01270	2.6
83.04913	6.2
84.02087	2.0
85.02841	7.1
87.00751	6.6
89.02338	6.3
95.04926	4.4
96.95918	4.1
97.02836	9.3
97.06479	2.2
99.00781	3.8
101.02348	12.3
109.06496	16.4
110.03574	1.5
111.08075	4.7
113.02362	7.1
119.03439	1.6
121.06542	1.6
123.08124	2.1
125.06002	1.4
125.09616	6.3
127.11211	5.4
135.08107	3.4
137.09659	2.3
139.07567	2.2
140.03647	1.3
141.12701	1.3
143.03415	2.7
145.04984	1.6
149.09662	2.0
153.09145	1.9
153.12802	1.6
155.10675	4.2
161.04506	5.7
161.09662	2.2
163.11238	21.1
165.09206	1.8
165.12778	6.3
169.12283	5.4
171.10225	98.8
172.10558	3.0
179.10698	2.0
181.12271	8.0
185.11749	10.1
189.09239	3.3
191.10760	1.7
197.11792	21.8
198.12112	1.4
199.09769	3.7
201.11314	44.8
202.11734	2.1
207.10245	43.7
208.10573	3.2
209.11816	100.0
210.12143	7.1
211.13354	7.9
213.11253	1.7
215.12860	5.3
216.09047	1.3
223.13426	2.0
225.11320	71.7
226.11705	4.5
227.12885	11.6
235.08237	10.6
235.17316	1.5
243.12344	6.1
245.19017	2.7
247.20796	2.2
251.88707	1.3
253.09305	29.8
254.09546	2.3
261.66385	1.4
271.17014	1.5
273.18829	1.4
284.03314	3.8
285.03983	1.8
289.18109	8.4
291.19699	37.2
292.20102	4.9
293.21234	6.3
295.10489	1.8
306.55374	1.4
307.19232	5.6
309.20767	70.9
310.21118	7.7
407.19360	2.4
443.19223	3.8
461.20251	16.8
462.20422	2.5
479.21338	2.7
493.32071	1.5
539.45349	1.3
545.29742	1.9
663.69861	1.4
753.40790	7.5
771.41962	11.6
772.42212	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	771.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03337	0.9
58.00474	0.4
59.01262	4.0
61.98713	0.5
62.02355	0.1
63.75475	0.1
67.01758	0.2
67.69444	0.2
69.03342	0.3
70.63272	0.4
71.01265	4.3
71.04910	0.5
72.99204	0.2
73.02830	1.1
75.00768	0.3
77.70392	0.1
79.05423	0.2
80.02576	1.1
81.03349	1.5
83.01266	0.6
83.04910	5.8
84.02047	1.1
85.02837	1.4
87.00759	0.9
89.02335	2.4
93.03345	0.3
95.01286	0.4
95.04919	1.2
96.95904	1.6
96.96858	0.2
97.02849	0.5
97.06500	0.9
97.07053	0.1
98.20506	0.2
98.95490	0.2
99.00754	0.4
99.04415	0.5
99.08054	0.4
101.02342	3.5
107.04890	0.2
107.95216	0.2
109.06488	1.3
111.00777	0.2
111.04432	0.3
111.08060	0.3
112.05210	0.4
113.02366	2.1
113.06040	0.2
113.09612	0.2
115.07550	0.7
119.03424	0.6
121.02942	0.3
122.03664	0.2
123.04445	0.4
123.08069	0.4
124.05222	0.2
125.02332	0.2
125.05982	0.7
125.09632	2.4
126.10037	0.2
127.07573	1.3
127.11169	0.3
133.06436	0.2
135.04453	0.3
135.08086	1.5
137.09618	0.4
138.06812	0.2
139.07529	0.4
141.09108	0.5
143.03430	0.2
145.04984	0.6
147.11737	0.2
149.09575	0.2
151.11221	0.2
153.09146	7.3
153.12737	0.2
154.09547	0.3
155.10724	0.6
161.04500	1.7
161.09630	0.2
163.11230	4.9
164.11572	0.3
165.12791	2.8
167.10663	0.2
171.10217	14.9
172.10590	0.9
173.09625	0.2
177.08977	0.2
178.09973	1.2
179.05574	0.5
179.10690	0.6
181.12361	1.0
183.13931	0.3
185.11794	3.0
186.12096	0.2
191.10767	2.5
191.14375	0.6
193.12299	0.4
197.10034	0.2
197.11819	3.1
201.11177	0.4
207.10301	1.9
209.11813	100.0
210.12163	6.7
210.14203	0.2
211.13379	0.8
214.11609	0.2
219.13945	0.5
221.11795	0.6
223.13416	0.4
225.11307	1.0
227.12888	11.9
228.13173	0.7
235.08261	3.1
235.13516	0.2
235.20718	0.3
236.10544	0.3
237.11526	0.3
237.15036	0.2
238.12132	0.8
239.12770	0.3
239.16609	0.2
245.19133	1.3
247.03365	0.2
249.14972	0.2
249.36313	0.2
251.16560	0.3
253.09314	8.4
254.09705	0.4
256.13324	0.2
263.16479	0.2
263.20190	0.6
271.17035	0.3
279.19614	0.6
284.03351	0.2
285.04028	0.4
289.18143	6.4
290.18472	0.6
291.19662	0.3
297.20779	0.7
307.19208	30.2
308.19537	2.9
309.20853	0.4
317.21115	0.4
325.20264	12.3
326.20642	1.5
327.22321	1.0
335.22379	0.4
345.20874	1.0
363.21918	0.4
375.21588	0.3
375.41086	0.2
407.19263	0.5
445.20956	1.1
463.21890	0.2
474.21271	0.3
488.84070	0.2
499.23303	0.2
499.30994	0.2
517.31860	0.3
525.27094	1.6
526.27545	0.4
543.28247	6.4
544.28784	0.9
561.29218	1.5
562.29706	0.4
581.29510	0.3
611.30811	0.4
666.32648	0.5
684.33759	1.4
685.34241	0.3
735.39771	3.0
736.40363	0.8
753.40735	4.9
754.40881	1.4
771.41919	2.3
772.42023	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.4
57.03328	1.5
58.00491	0.4
59.01262	5.6
61.98706	0.7
64.52586	0.2
69.03329	0.8
70.95346	0.3
70.95650	0.4
71.00898	0.5
71.01265	5.6
71.04903	1.2
72.99180	0.5
73.02811	1.4
75.00750	0.5
80.02563	1.4
81.03342	1.5
83.01281	1.0
83.04913	5.6
84.02055	1.1
85.02845	3.0
87.00760	1.0
89.02335	3.0
95.01269	0.4
95.04913	1.6
96.95915	1.9
97.02859	2.0
97.06489	2.0
98.95483	0.3
99.00764	0.4
99.04388	0.4
99.08047	0.3
101.02347	4.6
109.06499	10.1
110.03616	0.6
110.06844	0.3
111.04500	0.3
111.08080	0.5
113.02344	2.8
115.07599	0.5
119.03419	0.7
121.02927	0.3
121.06527	0.3
123.04443	0.4
123.08084	0.6
125.02388	0.4
125.06008	0.8
125.09629	1.8
127.07597	1.3
127.11163	0.6
134.25795	0.3
135.08064	1.4
137.09624	0.7
138.34470	0.3
139.07651	0.3
142.02739	0.3
145.04958	0.7
151.11214	0.7
153.09128	3.8
153.12773	0.3
161.04514	1.7
161.09686	0.4
163.11234	7.0
164.11545	0.5
165.12822	2.4
169.12283	0.9
171.10202	12.4
172.10559	0.4
178.09962	0.5
179.05530	0.6
179.10716	0.4
181.12331	1.8
183.13892	0.6
185.11826	1.4
189.09186	0.5
191.10799	1.7
191.14301	0.4
193.12254	0.5
195.13811	0.3
197.11807	10.2
198.12234	0.5
199.11592	0.3
199.13423	0.7
201.11284	1.0
207.10248	13.1
208.10582	0.7
209.11809	100.0
210.12134	5.6
211.13387	7.7
211.15373	0.3
212.13661	0.5
219.13843	0.3
221.11856	0.9
221.15500	0.3
223.13509	0.3
225.11308	7.0
225.14771	0.3
226.11719	0.7
227.12880	12.7
228.13182	0.8
229.14445	1.1
235.08214	4.5
235.13397	1.6
236.08615	0.3
237.14940	2.0
238.12051	0.3
239.12868	0.5
245.19124	0.9
249.15041	0.6
251.16479	0.4
253.09309	14.1
254.09689	0.6
263.20483	0.4
265.18097	0.3
267.15921	0.3
279.19598	0.3
285.04074	0.8
289.18137	5.7
290.18332	0.6
291.19699	1.0
307.19211	16.6
308.19592	1.7
309.20813	2.6
325.20255	29.6
326.20593	2.3
327.21814	12.8
328.22134	1.1
335.22516	0.3
345.20688	0.5
363.21680	0.3
364.09225	0.3
437.02884	0.3
443.19296	0.4
445.21033	1.3
461.20517	1.4
474.20773	0.3
517.31775	0.9
525.27173	0.9
535.32898	0.5
543.28259	4.2
544.29095	0.5
545.29749	0.7
561.29333	1.6
563.31152	1.0
666.32623	0.3
684.33984	0.9
735.39697	1.8
753.40698	3.1
754.41333	1.0
763.29803	0.3
771.41949	6.3
772.42432	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.2
61.98719	0.4
71.01261	0.1
71.56521	0.1
75.00778	0.1
78.95794	3.1
79.95628	2.8
80.96424	0.1
87.00764	0.1
94.97993	0.1
95.17653	0.1
95.97472	0.1
96.00739	0.1
96.95914	100.0
96.96793	3.9
97.95858	0.4
97.96348	0.1
98.02377	0.3
101.02351	0.1
147.26909	0.1
207.10312	0.1
209.11815	0.8
225.11418	0.1
227.12923	0.1
265.07620	0.5
291.04233	0.1
307.08725	0.1
457.18835	0.1
483.15677	0.2
509.70044	0.1
595.24689	0.1
771.32831	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	769.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03083	0.7
57.03328	3.5
58.00486	0.7
59.01264	19.9
61.19950	0.6
61.98719	1.0
65.03844	0.9
68.59536	0.6
69.03346	1.6
71.01268	16.7
71.03886	0.6
71.04932	1.0
71.28224	1.3
72.02065	0.6
72.99198	2.2
73.02840	2.8
75.00753	2.2
80.02557	2.8
81.03339	4.6
83.01270	2.5
83.04919	7.9
84.02069	1.5
85.02843	10.8
87.00777	4.3
89.02332	7.0
93.03340	0.9
95.01289	3.4
95.04917	2.5
96.95927	3.1
97.02848	7.3
97.06502	3.5
99.00781	5.4
99.04417	1.2
99.08054	0.8
101.02351	10.4
103.00301	1.6
103.26312	0.7
107.04945	2.8
109.02850	0.9
109.06504	29.7
110.03657	1.9
111.00793	1.3
111.04427	1.0
111.08057	1.4
113.02357	16.5
113.05988	0.8
114.32134	0.7
115.00256	0.9
115.07555	1.9
117.01910	0.9
119.03450	1.4
119.04942	0.9
121.02861	1.9
121.06516	2.6
123.04440	3.1
123.08087	3.0
125.02368	2.9
125.06004	2.2
125.09644	10.9
127.07555	3.7
127.11195	1.4
135.08084	6.4
136.05249	1.1
137.06058	0.9
137.09653	2.3
139.07573	1.5
141.05511	0.7
141.09094	1.6
142.02621	1.6
143.07054	0.9
145.04974	1.3
145.10188	0.7
149.05965	0.9
149.09622	0.8
151.00340	0.9
151.07610	1.5
151.11186	1.2
153.09157	9.6
155.10677	1.3
161.04512	3.1
161.09697	2.8
163.11240	18.9
164.11520	0.7
165.09183	0.9
165.12782	3.5
169.12314	1.1
171.10225	27.9
172.10603	1.7
173.09706	0.9
175.02478	4.8
176.08302	0.8
177.09198	0.7
177.12712	0.8
178.09995	2.6
179.05611	1.1
179.10686	2.7
181.12335	5.2
185.11818	9.4
187.09688	3.0
189.09160	1.5
191.10756	4.4
191.14368	1.8
193.12274	0.8
197.11809	13.6
198.12164	1.0
199.13460	0.9
201.11357	3.7
205.08755	0.9
207.10254	60.6
208.10674	4.4
209.11829	100.0
210.12138	4.8
211.13452	1.9
215.81934	0.7
217.12419	1.0
219.17725	0.7
221.11810	2.0
223.09796	2.6
223.13412	3.3
225.11339	32.8
226.11684	2.3
227.03551	0.8
227.12910	8.5
235.08176	4.7
235.13368	4.5
236.10616	1.0
237.15002	1.8
238.12187	1.2
243.12401	0.9
243.17499	0.8
245.19177	1.9
249.15053	0.8
251.13045	1.5
251.16603	1.1
253.09332	13.7
255.03038	10.2
256.03766	10.3
256.09540	0.8
261.18652	1.1
263.16382	1.2
265.14426	0.9
269.15366	0.8
277.18079	1.6
279.16074	0.8
279.19644	1.8
281.13980	1.1
283.02533	15.2
284.03305	46.1
285.04062	15.9
287.16623	5.5
289.18198	7.5
290.18402	0.7
291.19614	1.6
297.04175	4.2
305.17648	22.6
306.17902	1.7
307.19220	26.9
308.19467	1.9
309.20813	2.6
322.94809	0.8
323.18759	4.1
325.20374	12.5
326.20584	1.3
327.05225	0.8
327.19553	0.9
329.17780	1.7
333.20850	0.9
343.19162	2.5
345.20880	1.0
361.20325	1.2
363.21942	1.1
399.07324	1.2
405.17712	1.4
407.19244	0.7
407.24533	1.0
429.19305	0.7
443.19275	1.5
445.21115	1.0
459.05988	1.7
460.06561	2.0
461.07297	2.1
461.20496	9.3
461.26443	1.1
479.28369	1.7
497.29047	4.8
515.30664	3.1
523.25488	1.3
533.31592	1.5
541.26526	5.3
543.28241	4.6
559.27753	1.2
561.29150	1.3
589.34021	0.7
593.23975	15.3
594.24481	2.6
609.29456	0.9
623.30890	1.6
625.32330	0.9
627.30457	2.4
653.31763	1.6
664.30927	2.7
682.32202	2.3
715.36761	3.5
725.38013	1.0
733.38245	19.7
734.38928	4.1
751.29218	0.7
751.39240	26.9
752.39545	5.8
769.27112	9.8
769.40546	31.7
770.27417	2.1
770.40863	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	769.4029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	4.7
59.01266	44.8
61.98719	2.7
68.99712	12.1
69.00047	1.6
69.03340	8.5
71.01270	35.0
71.04930	2.2
72.99193	5.2
73.02836	4.1
75.00780	1.7
81.03355	3.7
83.01294	6.8
83.04920	7.3
85.02852	6.8
87.00767	6.1
89.02351	8.1
93.03357	2.3
95.01344	2.0
95.04915	3.7
97.02847	16.7
97.06493	2.6
99.00797	3.8
101.02328	13.7
107.04932	4.0
109.02863	2.8
109.06515	3.4
110.03637	7.1
111.00840	3.8
111.04431	26.1
111.08059	4.9
113.02373	7.2
123.04407	3.8
123.08085	5.8
123.21625	2.0
125.02376	2.3
125.05936	2.0
125.09648	12.5
135.08142	2.5
137.02380	2.4
137.09660	5.2
141.01843	2.1
141.09155	2.4
147.71330	1.9
151.11209	8.5
153.09178	6.1
155.10693	3.0
161.04514	2.9
161.09679	15.9
163.11255	7.3
165.12770	11.4
167.10701	2.0
169.12190	3.1
171.10229	86.4
177.09195	8.5
179.10747	22.9
181.12337	5.8
183.10159	2.1
185.11800	7.1
187.09689	3.4
193.12227	2.1
195.10130	2.6
195.13782	1.9
195.36327	1.8
197.11826	17.1
198.12134	2.8
199.09805	3.6
201.11337	3.6
205.08698	29.6
207.10275	10.6
209.11790	24.5
211.13394	4.1
213.11339	10.9
221.11899	3.5
223.09764	92.8
223.13358	4.2
224.10106	4.6
225.11288	9.7
227.12901	9.8
229.28720	2.1
235.08276	8.4
239.12917	4.7
241.10808	5.1
245.02618	2.2
247.20717	6.1
253.09303	30.3
289.18182	5.3
291.19742	65.2
292.20001	5.2
307.19238	6.3
309.20792	100.0
310.21051	10.9
322.72751	2.1
323.18808	2.2
407.19394	3.9
419.19336	2.9
426.67477	2.5
441.17816	6.7
459.18713	16.7
493.70468	2.0
623.39227	2.4
725.37427	2.6
751.39307	30.1
752.39343	6.0
769.40430	39.0
770.40680	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	769.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.43813	0.5
57.03344	0.5
59.01259	2.0
61.98715	18.4
63.96127	1.8
69.03343	0.5
71.01269	9.5
71.07748	0.8
73.02824	2.3
75.00751	0.6
78.95781	1.0
78.98481	7.2
79.95624	14.3
79.96099	0.7
80.96407	79.5
81.03345	0.7
83.04876	0.5
85.02838	3.3
87.00777	2.7
89.02325	0.5
91.76574	0.4
94.97981	18.0
95.01250	0.4
96.95910	9.1
97.02843	2.0
99.00772	1.0
101.02350	3.3
106.97985	3.8
113.02323	0.5
122.97509	3.1
125.02364	3.6
127.03907	1.5
134.97498	5.5
136.99069	1.5
148.99075	6.3
151.38451	0.5
152.98572	7.0
161.04494	0.4
163.11169	0.6
164.98589	14.9
165.12767	0.6
167.00171	0.7
206.99690	3.3
209.11801	5.7
225.00745	28.5
225.11440	0.5
226.00983	0.6
279.38177	0.4
287.58569	0.4
317.61963	0.5
509.17197	2.9
510.17572	0.5
541.19769	2.1
600.52228	0.5
616.69708	0.5
679.26672	0.5
737.30768	0.6
769.33344	100.0
770.33606	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	769.2976
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.3
61.98715	1.6
69.39447	0.8
71.01272	0.5
75.00755	0.2
78.95789	1.8
79.95623	2.7
83.04884	0.1
85.02845	0.1
96.95910	100.0
97.02798	0.1
97.95840	0.3
101.02313	0.1
109.06521	0.1
115.82100	0.1
118.96552	0.1
136.66881	0.1
141.99084	0.1
163.11287	0.1
171.10223	0.2
197.11868	0.1
207.10246	0.3
209.11827	0.8
225.11327	0.4
227.12866	0.1
242.01039	0.1
253.09412	0.2
263.06174	0.1
265.07617	0.6
265.86813	0.1
279.05463	0.1
281.07217	0.3
287.16638	0.1
291.04041	0.2
291.74683	0.1
305.17642	0.1
307.08829	0.1
319.08618	0.1
323.08035	0.1
455.17841	0.1
473.18585	0.2
481.13925	0.2
483.16391	0.1
499.15005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.2
61.98712	0.6
71.01274	0.3
71.58818	0.2
75.00774	0.2
78.95790	1.9
79.95622	2.7
80.20380	0.1
90.80257	0.1
94.92364	0.1
96.95910	100.0
96.96893	2.8
97.95846	0.2
109.06503	0.2
125.09610	0.2
171.10217	0.2
174.77901	0.1
197.11731	0.3
206.29105	0.1
207.10287	0.4
209.11732	0.7
212.30743	0.1
223.13429	0.2
225.11328	0.3
235.08075	0.1
253.09377	0.1
417.16016	0.1
445.15591	0.3
471.16916	0.4
499.14548	0.2
503.24286	0.1
589.43695	0.1
607.44800	0.1
625.28735	0.2
651.30359	0.4
663.23578	0.4
689.25372	0.2
749.37482	0.1
767.38879	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.2
59.71855	0.1
61.98714	100.0
62.98404	0.2
70.43852	0.3
71.01286	0.3
75.00774	0.1
78.95808	0.1
79.95654	0.1
80.96413	0.6
82.03511	0.1
94.97994	0.2
96.95914	0.6
98.13644	0.1
101.06893	0.1
125.02315	0.1
147.16992	0.1
164.98656	0.1
165.43396	0.1
179.16595	0.1
184.36662	0.1
197.11797	0.1
197.58354	0.1
202.17299	0.1
209.11829	0.5
210.12219	0.1
223.28627	0.1
225.00607	0.2
280.76813	0.1
309.20786	0.1
310.21237	0.2
319.69727	0.1
387.99591	0.1
416.14700	0.1
433.57489	0.1
511.80841	0.1
748.07489	0.1
768.32153	0.8
769.32471	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	766.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.98716	100.0
62.98410	0.1
69.99843	0.4
71.01272	0.1
88.98685	0.1
89.91431	0.1
96.95907	0.6
109.06533	0.1
120.91092	0.1
187.96999	0.1
197.11861	0.1
207.10327	0.1
208.10544	0.1
209.11871	0.5
210.12187	0.2
226.11659	0.1
227.12820	0.1
253.09291	0.1
258.31821	0.1
567.31451	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	765.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77945	0.3
59.01257	0.6
63.96120	1.3
66.03440	0.2
68.29826	0.3
69.03342	1.0
70.31361	0.4
70.31763	0.7
71.01268	7.6
73.02836	1.8
74.68559	0.3
78.98483	6.2
79.95224	0.2
79.95623	12.4
80.96407	70.5
81.03352	0.9
82.95984	0.8
83.01289	0.3
87.00757	2.3
94.97977	15.6
95.01267	0.3
96.95905	1.2
97.02836	1.9
99.00761	0.5
99.04482	0.4
101.02338	2.6
106.97997	3.5
109.02890	0.3
113.02335	0.5
122.97500	3.5
125.02363	2.8
127.03955	0.7
134.97499	5.1
136.99074	1.3
148.99086	6.6
152.98557	5.5
152.99681	0.4
164.98578	12.8
165.98846	0.4
166.98241	0.3
167.00099	0.3
206.99667	3.5
209.11726	1.3
225.00740	21.6
226.01097	0.9
255.23393	1.4
267.26581	0.3
277.21899	0.3
279.45981	0.3
283.04974	0.7
322.96420	0.3
509.17029	3.0
537.27496	1.3
538.28131	0.4
564.15546	0.4
634.96808	0.3
732.38928	0.3
765.41101	100.0
766.41455	24.2
766.56104	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00486	0.2
59.01257	2.0
61.98713	3.6
64.61587	0.2
69.29108	2.4
71.01256	2.1
72.99192	0.7
73.02823	0.4
75.00755	0.8
78.95790	0.4
80.02559	0.6
81.03339	0.8
83.01246	0.3
83.04912	3.8
84.02045	0.5
84.05241	0.2
85.02830	0.6
88.98651	0.5
89.02330	1.2
90.05641	0.2
95.04880	0.7
96.95913	0.5
97.06481	0.3
99.00764	0.3
101.02367	1.2
103.34599	0.2
107.01314	0.3
109.06483	0.5
113.02354	1.2
125.05984	0.4
125.09580	0.3
131.84315	0.2
135.08084	0.4
143.03481	0.2
145.04916	0.3
148.05231	0.3
151.00317	0.4
161.04448	0.9
163.11235	2.9
164.11600	0.3
165.12793	2.2
171.10201	0.9
181.12270	0.4
191.10744	0.9
197.11690	0.2
207.10173	0.3
209.11804	100.0
210.12137	6.9
212.63524	0.2
225.11383	0.3
227.12869	13.7
228.13080	1.1
235.08217	2.0
247.13431	0.4
250.21452	0.2
253.09306	5.3
284.03214	0.4
339.63916	0.3
445.20789	4.0
446.21048	0.5
447.94962	0.2
637.32208	0.9
655.82068	0.2
685.23358	0.8
766.26428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
60.99191	17.1
61.98705	0.6
66.03767	0.3
71.01273	0.6
77.40013	0.2
87.00781	1.9
88.00289	3.5
88.98697	100.0
89.02331	12.9
89.99041	0.8
98.19743	0.4
101.02362	0.4
117.93187	0.2
207.10312	0.2
230.05464	0.4
277.21799	0.8
298.60986	0.3
397.13449	1.1
415.14783	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4498
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.9
59.01262	4.9
62.43125	0.2
69.03346	0.4
71.01266	2.3
71.04902	0.4
71.53675	0.2
71.57375	0.3
72.48997	0.2
72.99203	0.3
73.02844	1.2
75.00768	0.7
78.95792	0.4
80.02551	1.0
81.03339	1.4
83.01277	0.5
83.04910	3.3
84.02061	1.4
85.02842	1.1
87.00777	0.4
87.04399	0.4
89.02348	1.2
95.01279	0.4
95.04932	0.3
96.95909	2.3
97.06474	0.5
98.57195	0.2
98.95477	0.3
99.00776	0.4
101.02364	1.6
111.08030	0.3
111.14594	0.2
113.02355	1.3
116.92785	0.2
119.03393	0.6
123.08075	0.4
124.37885	0.2
125.02340	0.3
125.05994	0.7
125.09622	1.2
127.11192	0.8
134.69373	0.2
135.08086	0.6
137.09639	0.7
141.09158	0.3
146.66199	0.2
147.66330	0.2
148.05183	0.2
151.00272	0.3
153.09128	0.3
155.10666	1.3
159.02994	0.2
159.04291	0.2
161.04471	0.3
163.11221	3.1
165.12814	1.7
169.12262	0.2
171.10217	3.1
175.02284	0.2
179.05522	0.5
181.12277	0.7
185.11781	0.9
191.03482	0.2
191.10709	0.8
197.11829	0.6
201.11237	0.4
209.11807	54.8
210.12170	3.2
217.14436	0.2
227.12881	17.5
228.13316	1.3
229.14478	0.6
241.10797	1.1
325.93945	0.2
327.21680	0.3
337.23822	0.5
355.24966	2.5
356.18689	0.2
356.24979	0.2
371.24344	0.6
373.25992	100.0
374.26358	10.7
374.30087	0.2
387.27402	0.7
387.53268	0.2
409.90897	0.2
415.27075	1.1
515.28717	0.2
535.31024	0.9
557.29736	6.9
558.29938	1.1
569.20691	0.3
745.24048	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34531	0.3
57.03323	0.4
57.63098	0.3
59.01270	0.8
63.91200	0.4
63.96131	1.2
69.03339	0.4
70.05296	1.2
71.01266	7.9
73.02840	1.6
75.92163	0.3
78.95786	0.5
78.98482	6.7
79.95625	11.6
80.96409	72.0
81.03358	0.7
85.02834	2.5
87.00768	3.1
87.98303	0.3
94.97981	15.6
95.01294	0.7
96.95902	1.1
97.02827	1.7
98.19896	0.4
99.00787	0.6
101.02340	3.0
106.97990	3.6
109.06499	0.7
122.97512	3.2
125.02373	3.7
127.03920	1.0
134.97502	4.5
136.99062	1.6
148.99083	6.4
149.01286	0.3
152.98569	6.2
163.11253	0.7
164.98584	14.4
167.00104	0.7
188.98489	0.3
206.99646	2.6
207.10201	0.9
225.00742	24.6
226.01007	0.9
241.01186	0.4
255.23354	1.9
466.93280	0.3
507.15323	3.2
508.15967	0.6
537.27545	1.4
538.28186	0.4
583.48663	0.4
763.39581	100.0
764.39899	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	763.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.19285	0.6
59.01263	11.0
61.98721	4.0
65.93985	0.5
71.01276	6.0
71.55462	0.7
72.99206	0.9
73.02826	0.9
75.00751	2.9
80.02574	1.9
81.03347	2.8
83.01268	0.9
83.04915	6.9
84.02056	1.1
85.02846	2.0
87.00780	1.4
88.98699	1.9
89.02332	2.7
90.82849	0.7
93.03347	0.5
95.01283	0.8
95.04919	1.3
96.95925	3.3
97.02851	5.0
97.06486	0.5
99.00782	0.7
101.02344	4.7
107.04951	0.7
109.06503	22.8
110.03632	1.5
110.06839	0.9
113.02361	2.7
119.03419	0.6
121.06485	1.5
123.08113	0.7
125.06019	0.8
125.09652	1.7
135.08086	3.4
136.05190	0.9
142.02727	1.1
161.04539	1.3
161.09703	1.1
163.11226	14.7
164.11610	0.9
165.12862	2.8
171.10187	2.0
174.06886	0.7
179.05585	0.7
181.12315	3.7
185.11795	2.9
187.09723	0.8
189.09169	2.4
191.10771	0.8
207.10265	57.4
208.10565	3.7
209.11826	100.0
210.12160	6.2
211.13472	0.6
221.11893	0.9
225.11331	25.8
226.11647	1.0
227.12906	15.0
228.13214	1.3
235.08272	2.8
235.13486	0.7
249.11377	1.0
253.09285	8.9
265.14432	1.2
283.13406	1.1
285.04010	0.9
299.14990	1.2
308.21405	0.7
353.14059	0.9
355.23093	0.7
373.23907	1.1
381.20709	0.8
399.21765	4.8
400.22223	0.7
417.22977	3.9
418.23285	0.7
423.12552	0.7
443.19440	2.6
445.20746	2.0
461.20474	7.4
462.20636	1.1
485.51492	0.7
584.93848	0.7
609.29456	0.8
627.30200	0.8
635.30841	17.6
636.31085	3.9
652.31360	0.7
653.31982	17.2
654.32489	3.8
655.31610	2.2
671.33002	25.2
672.33203	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	761.3257
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.7
60.99192	16.5
61.98699	0.4
70.77127	0.2
71.01259	0.5
71.48688	0.2
72.99185	0.4
75.00779	0.3
81.03316	0.2
85.02847	0.3
87.00762	1.5
88.00301	2.4
88.98698	100.0
89.02334	5.5
89.99027	1.1
96.95936	0.3
101.02319	0.3
109.06503	0.3
113.02387	0.2
159.95657	0.2
163.11224	0.2
165.41309	0.2
171.10257	0.4
201.11269	0.7
207.10275	0.8
209.11826	1.4
211.13445	0.2
225.11287	0.5
227.12840	0.4
235.08289	0.2
253.09393	0.4
294.14828	0.2
397.13638	0.2
453.64648	0.2
635.31067	0.3
653.31763	0.3
671.33185	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	763.341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44872	0.1
59.01250	0.5
60.92161	0.1
60.99190	16.1
61.98704	0.2
68.24918	0.1
69.79572	0.8
71.01275	0.3
72.99200	0.3
75.00773	0.5
83.04926	0.3
85.02847	0.2
87.00774	1.5
88.00303	1.9
88.01109	0.2
88.98698	100.0
89.02333	4.9
89.99043	1.0
101.02344	0.3
113.02383	0.2
123.95497	0.1
137.84050	0.1
142.69456	0.1
148.05209	0.2
163.11192	0.2
171.10184	0.2
195.47688	0.1
207.10309	0.2
209.11821	5.8
210.12148	0.7
225.11403	0.2
227.12897	0.9
253.09373	0.3
284.03473	0.2
293.21396	0.3
415.14963	0.2
445.20978	0.2
463.60065	0.1
719.35114	0.2
786.87213	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4111
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	3.6
61.98709	3.3
69.70017	14.0
69.70444	4.5
71.01247	2.9
78.95792	28.8
82.70555	2.2
83.04977	2.3
95.91186	2.6
101.02330	2.6
113.02324	3.2
137.86501	2.2
152.99507	15.8
171.10298	4.3
197.11853	3.3
209.11816	62.5
223.13184	2.3
227.12917	18.2
235.08249	7.8
253.09354	6.2
277.21780	100.0
278.22150	9.6
293.21323	2.5
311.22351	4.5
447.21564	6.4
476.92874	2.2
513.30603	3.3
759.41785	32.9
760.41968	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	759.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.2
59.09672	1.5
60.45086	1.4
61.98712	6.6
69.99132	3.0
69.99542	6.0
71.01263	6.4
78.95795	32.4
82.93616	1.6
83.04913	2.1
87.81593	1.4
96.55742	1.5
96.95866	1.8
96.96875	4.6
101.02333	1.7
113.02335	3.0
129.09151	2.4
134.06325	1.6
152.99521	17.2
163.11209	1.7
171.10196	6.5
199.13199	1.7
209.11819	100.0
210.12131	5.2
211.13405	3.0
227.12889	19.8
228.13176	3.2
228.84509	1.8
235.08203	2.5
253.09277	11.2
257.71213	1.8
277.21786	59.3
278.22110	6.2
279.23395	4.6
291.19080	1.6
293.21280	3.9
311.22546	7.5
387.33896	1.7
445.20810	7.4
447.21732	10.7
465.22348	2.1
759.42334	36.3
760.42090	8.1
781.85162	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00206	0.9
55.01781	0.5
59.01266	7.3
59.14553	0.4
61.14823	0.4
61.98710	1.5
71.01270	100.0
71.27569	0.8
71.27899	0.6
72.01603	1.5
72.99169	0.4
73.02840	1.9
73.22716	0.4
74.12854	0.4
78.95798	5.5
81.03371	0.6
85.02862	1.3
87.00785	1.8
89.02351	2.1
97.02853	1.0
99.00791	0.9
101.02350	3.2
109.06515	3.3
113.02361	1.9
114.93325	0.8
115.00344	0.6
119.03439	0.8
125.09658	1.3
127.11245	2.3
135.08058	0.6
137.09636	0.5
143.03419	0.6
145.04984	0.8
152.99582	3.3
153.09122	0.7
155.10728	0.8
161.04494	1.4
163.11276	2.4
168.21191	0.4
171.10226	72.6
172.10518	3.7
181.12241	1.0
185.11777	0.6
197.11809	1.0
199.09714	9.1
199.13344	1.5
200.10213	0.5
201.11319	8.3
207.10246	10.2
208.10620	0.5
209.11891	0.5
225.11334	8.7
226.11581	0.6
235.08249	3.0
243.12386	1.6
253.09322	9.0
277.21783	77.7
278.22122	7.7
311.22284	0.8
337.99850	0.4
435.18738	1.1
439.15237	0.5
443.19070	0.7
447.21667	0.9
461.20547	2.1
462.20828	0.6
624.19818	0.5
695.40125	0.6
721.41943	2.3
722.42712	1.3
739.42407	0.7
757.43677	10.7
758.43799	2.3
768.76166	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.343
Annotation	Unknow
Peak:m/z	Relative Intensity
57.32603	1.2
59.01264	13.1
61.98714	7.5
69.35430	2.1
69.35825	11.8
71.01273	20.7
73.02805	1.4
75.00742	4.0
78.95782	2.2
79.82835	1.1
80.02555	1.8
81.03319	2.1
81.26315	1.1
81.35888	1.3
82.95296	4.1
83.01254	1.9
83.02401	3.7
83.04936	6.3
84.02016	1.6
84.12777	1.1
84.95014	2.3
85.02857	3.0
87.00797	2.3
88.98687	2.9
89.02331	3.7
96.95905	13.9
97.02858	2.8
97.06477	1.5
99.00781	4.0
101.02339	5.1
109.06494	14.4
113.02409	3.1
118.55180	1.1
121.06504	1.2
123.04445	1.5
125.02367	1.8
125.09633	2.6
126.30652	1.2
127.16385	1.1
135.08061	2.4
151.00461	1.6
161.04556	1.2
162.06783	1.5
163.11186	11.7
165.12708	3.4
171.10254	6.2
174.86948	1.3
176.08351	2.5
177.09059	2.0
181.12314	6.7
185.11821	1.3
189.09172	1.7
191.79314	1.3
199.13304	4.2
201.11172	1.8
207.08380	2.3
207.10265	37.6
208.08136	1.3
208.10484	2.5
209.11824	100.0
210.12054	6.3
213.14784	1.6
225.09286	2.0
225.11339	30.1
226.11639	3.1
227.12906	17.7
231.10130	1.5
235.08192	5.4
243.12363	5.7
253.09363	11.9
254.09595	1.5
255.03050	2.9
285.03851	1.4
342.11716	1.6
399.21982	2.1
417.23004	2.7
443.19427	1.5
445.20605	1.7
446.08472	3.7
461.20358	11.3
462.20358	1.8
474.02896	1.3
479.21268	3.4
595.24921	4.0
635.31097	7.1
653.32166	6.6
654.32275	1.6
671.32861	15.7
672.33472	4.6
689.34357	8.0
713.41125	3.5
721.36774	3.9
739.44421	1.5
757.32697	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	755.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00465	0.8
58.57376	0.8
59.01262	20.7
61.98719	5.1
65.97179	0.8
69.03338	1.2
70.32256	1.3
70.32656	2.1
71.01266	34.8
72.99216	1.0
73.02850	4.5
75.00768	1.5
78.95776	2.1
80.02590	1.2
81.03342	1.3
82.43293	0.8
83.01283	1.4
83.04913	4.8
84.02045	1.3
85.02847	2.7
87.00783	3.2
89.02325	4.5
95.01289	2.3
95.04936	3.2
96.95910	1.3
97.02859	3.3
97.06475	1.4
99.00787	2.8
101.02339	8.3
109.06495	8.3
111.00844	1.1
111.04416	1.2
111.08070	5.2
113.02363	4.4
119.03382	1.8
121.06573	1.0
121.10112	1.2
125.02388	1.2
125.09647	2.8
127.11224	2.1
135.08098	1.5
137.09673	1.3
143.03465	2.1
152.99547	1.7
155.10716	2.5
161.04520	3.1
163.11220	7.8
165.12796	2.3
167.10754	2.0
171.10211	49.5
172.10565	2.3
179.10744	2.0
181.12306	2.3
185.11809	2.5
189.09186	1.4
195.13867	11.5
196.14429	1.0
197.11807	3.5
201.09570	1.6
201.11307	22.9
205.12248	1.2
207.10237	24.6
208.10583	2.2
209.11803	51.5
210.12199	3.2
215.12868	1.9
223.13419	5.9
225.11314	35.9
226.11653	2.4
227.12866	6.4
231.21214	1.4
235.08240	6.6
243.12364	2.5
253.09306	22.6
254.09583	0.9
256.13196	1.5
275.20212	11.0
276.20517	1.6
291.19705	39.0
292.19980	4.0
293.21280	100.0
294.21637	9.3
295.10254	1.3
309.20789	4.4
311.22314	1.9
321.10599	1.0
443.19208	1.7
461.20297	8.0
462.20972	1.3
490.05685	1.0
529.29645	1.0
737.41443	5.7
738.41046	2.1
755.42371	5.4
756.42041	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	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.4
57.03324	0.6
58.00499	0.3
59.00387	0.1
59.01262	6.5
61.98715	0.2
68.91428	0.2
69.03346	1.0
70.74181	0.4
71.01267	4.1
71.04904	0.3
72.01588	0.1
72.99214	0.2
73.02848	0.9
74.72078	0.2
78.95784	0.3
80.02564	1.3
81.03343	1.5
83.01273	0.6
83.04910	5.2
84.02065	0.8
85.02838	1.2
85.99973	0.2
87.00765	1.0
89.02333	2.7
91.03914	0.2
93.03424	0.2
93.06931	0.1
95.01311	0.4
95.04916	0.8
96.95918	0.5
97.02826	1.4
97.06464	0.5
98.95497	0.3
99.00784	0.3
101.02337	3.8
109.06477	0.7
111.08061	6.2
113.02349	2.1
119.03391	1.0
121.10129	0.2
123.08074	0.3
125.06009	0.4
125.09646	0.7
127.07567	0.5
127.11224	0.3
135.08066	0.7
137.09645	0.5
141.09099	0.3
143.03477	0.4
145.04993	0.3
147.11710	0.3
151.11223	0.5
153.09129	0.3
153.12793	0.5
161.04509	1.5
163.11230	4.5
164.11530	0.3
165.12796	3.3
167.10719	0.3
169.12308	2.6
171.10216	4.3
172.10587	0.2
179.05544	0.5
179.10728	0.4
179.14450	0.2
181.12280	1.3
183.13872	0.6
185.11757	0.2
191.10773	0.9
193.12247	0.4
195.13913	0.2
197.11806	26.7
198.12161	1.5
199.13368	1.6
201.11272	0.4
207.10295	0.9
208.10733	0.2
209.11807	100.0
210.12144	6.4
211.13379	5.0
212.13669	0.3
221.15565	0.2
223.13336	0.6
225.11316	1.9
225.14952	0.5
226.11703	0.2
227.12878	13.5
228.13144	1.1
235.08255	3.0
247.20764	1.0
248.39336	0.2
249.14980	1.1
251.16573	0.3
253.09309	14.0
254.09766	0.6
263.20236	1.5
265.18106	0.9
273.18613	0.9
275.20120	0.3
291.19705	16.9
292.20020	1.5
293.21301	3.3
294.21603	0.3
309.20758	44.0
310.21082	4.0
415.20126	0.2
433.21075	0.3
445.20822	1.1
446.21255	0.3
461.20193	0.3
463.21805	0.2
501.32065	0.5
519.32996	0.3
527.28784	0.5
545.29376	1.0
686.07507	0.2
737.39917	0.4
755.41718	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.1
57.03327	1.1
59.01264	6.8
61.85529	0.3
61.98708	0.6
67.01768	0.5
69.03342	4.1
69.83180	1.9
71.01266	8.1
71.04900	1.9
72.99208	0.7
73.02846	1.4
75.00777	0.6
78.95792	0.9
80.02589	0.3
81.03369	0.6
83.01279	0.9
83.04916	1.4
85.02830	1.6
86.28094	0.3
87.00793	0.8
89.02351	2.5
95.01302	0.9
95.04930	0.9
96.95912	0.7
97.02858	1.3
97.06496	1.3
99.00790	0.7
99.06203	0.4
101.02349	4.6
109.06487	3.2
111.04379	0.5
111.08064	1.5
113.02339	2.2
119.03408	1.0
121.06525	0.5
123.04456	0.4
123.08098	1.0
125.05970	0.5
125.09638	3.1
128.10417	0.3
135.08080	0.4
137.09679	0.5
137.66837	0.3
142.02676	0.4
145.04971	0.4
149.09676	0.6
151.11241	2.1
153.12779	1.5
161.04503	0.9
161.09683	3.3
163.11203	2.1
165.12799	0.6
169.12305	0.8
171.10182	2.8
177.22163	0.3
179.10748	6.8
179.14412	0.6
181.12309	0.8
185.11784	0.6
189.09219	0.4
195.13887	4.1
197.11810	85.1
198.12132	5.2
199.13312	0.6
205.12450	0.3
207.10254	8.8
208.10616	0.9
209.11819	9.6
210.12079	0.6
211.13477	1.5
214.08720	0.4
223.09860	1.4
223.13321	2.0
225.11310	5.6
226.11606	0.4
227.12889	1.7
235.08319	1.5
241.10863	3.6
245.19173	0.6
253.09299	6.1
263.20270	0.7
273.18564	0.3
275.20215	1.9
284.03323	0.8
285.04022	1.0
289.18167	3.0
291.19730	3.2
292.20007	0.5
293.21307	9.7
294.21576	0.8
307.19226	2.8
309.20801	7.0
310.21188	0.7
358.22757	0.3
443.19418	0.4
459.18512	0.6
461.20364	1.1
477.19928	1.7
499.31061	0.4
551.95160	0.4
577.24872	0.4
735.39398	1.8
753.40784	100.0
754.41113	23.4
754.55127	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01790	0.6
57.03332	1.5
58.00490	0.5
59.01265	17.0
61.98718	0.7
65.03861	0.3
68.99709	0.4
69.03339	2.8
70.04567	0.4
71.00894	0.8
71.01266	11.1
71.04924	0.5
71.43002	0.7
71.67464	0.4
72.99200	1.0
73.02831	1.9
75.00766	0.6
78.95792	0.6
80.02562	2.1
81.03349	4.7
83.01273	2.5
83.04909	6.6
84.02065	0.8
85.02837	3.5
87.00763	2.5
89.02330	6.1
91.03888	0.4
93.03381	1.1
95.01305	1.2
95.04935	2.3
97.02850	10.3
97.06495	2.1
98.37305	0.5
99.00770	2.8
101.02338	9.8
106.04143	1.0
107.04957	1.2
109.06497	34.6
110.03647	1.9
110.06806	0.8
111.00768	0.7
111.04446	1.0
111.08064	8.5
113.02355	5.6
119.03432	1.8
119.04932	0.5
119.08583	0.6
121.06491	3.2
123.04445	2.7
123.08073	1.3
125.02351	1.1
125.06000	0.9
125.09634	3.6
133.04987	0.6
135.08064	4.4
136.05243	1.4
137.09653	1.8
139.07582	0.5
142.02588	2.1
143.03471	0.7
145.05017	0.8
145.10236	0.6
149.06082	0.5
151.11209	1.2
153.12750	0.8
161.04520	3.9
161.09708	2.7
163.11232	24.6
164.11604	1.5
165.09129	1.0
165.12761	3.2
167.10770	0.6
169.12282	5.3
171.10248	4.9
177.12749	0.8
179.05591	1.7
179.10718	1.7
181.12303	5.5
183.13905	0.9
185.11804	3.9
189.09090	2.1
191.10730	1.5
191.14404	3.0
195.13849	0.5
197.11810	40.6
198.12167	2.5
199.13345	2.6
206.11411	0.4
207.10249	100.0
208.10619	5.7
209.11815	78.2
210.12178	5.1
211.13406	6.2
212.13690	0.5
216.10640	0.4
217.15904	0.6
221.11844	0.7
223.09796	0.9
223.13391	1.0
225.11324	39.8
226.11676	3.0
227.12891	11.7
231.13942	0.8
235.08255	7.6
236.08704	0.5
237.11351	1.8
239.13078	0.5
243.12355	0.8
245.19131	5.9
246.19525	0.5
247.20695	1.3
249.14961	2.7
253.09326	30.6
254.09698	1.4
261.89148	0.5
263.20239	3.3
265.18179	1.3
271.17120	0.9
273.18799	1.2
275.20212	0.5
281.14105	0.9
284.03433	1.3
285.03943	0.7
289.18173	28.5
290.18515	2.1
291.19730	24.2
292.19962	2.4
293.21298	3.5
294.21747	0.6
299.15088	1.3
307.19211	25.7
308.19525	2.5
309.20764	68.2
310.21127	6.7
318.68112	0.4
359.16156	0.4
389.24069	0.5
401.23544	0.8
419.24615	0.7
421.23853	0.5
439.24701	0.5
443.19452	5.3
445.20593	0.5
455.31793	0.7
461.20313	10.6
462.20798	1.4
473.32751	0.7
481.29865	0.5
485.23425	0.5
499.30661	1.2
517.31476	1.2
525.27100	0.5
527.28693	0.8
543.28235	0.9
545.30133	2.3
546.29645	0.6
637.33099	0.9
657.32953	0.5
671.43347	0.5
675.34192	0.9
693.34662	1.4
717.38110	1.0
735.39667	4.5
736.40216	0.8
753.40765	46.9
754.41071	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	752.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.5
59.02323	0.1
61.98714	100.0
62.98412	0.3
71.01276	0.4
71.56474	0.1
75.00761	0.3
78.91788	0.2
78.95795	0.2
79.95647	0.2
80.96411	0.6
83.04901	0.1
85.02862	0.2
88.98624	0.1
89.02337	0.2
94.97970	0.1
95.82596	0.1
96.95899	0.5
101.02357	0.2
109.06500	0.2
116.97271	0.1
135.04315	0.1
163.11217	0.2
171.10233	0.2
207.10251	0.3
209.11835	1.2
225.11360	0.2
247.09552	0.2
253.09349	0.2
671.33649	0.2
752.30756	0.2
753.30774	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58866	1.5
57.03320	2.3
59.00998	2.2
59.01267	25.6
59.82818	1.4
61.98725	2.8
69.03322	2.1
71.01270	13.0
71.55944	2.5
71.56369	2.8
72.99171	1.5
73.02862	2.0
75.00757	4.0
78.95798	3.8
81.03348	4.9
83.01283	2.9
83.04902	5.6
85.02846	9.4
87.00787	2.2
89.02334	6.6
93.03348	2.2
95.01307	2.8
95.04928	2.6
97.02832	11.5
97.06476	6.9
99.00759	4.1
101.02355	10.3
107.04932	1.9
109.05807	3.1
109.06500	37.3
110.03649	1.5
113.02334	11.7
116.92776	1.8
119.03443	1.5
121.06477	3.2
123.04432	4.8
123.08083	2.8
125.02388	2.1
125.09645	10.5
135.08054	4.9
136.05217	2.0
137.09625	2.7
141.01787	1.8
142.02663	4.3
144.82143	1.5
147.07990	1.5
151.00349	2.6
161.04532	2.2
161.09688	2.7
163.11243	24.5
165.09183	2.0
171.10150	1.9
175.02374	4.2
179.10757	3.4
181.12372	7.9
185.11833	8.3
187.09659	2.1
189.09145	3.4
191.10675	2.1
191.14375	5.9
197.11732	2.3
207.10246	100.0
208.10519	7.0
209.11844	31.4
210.12224	1.9
211.13492	2.9
217.15872	2.0
221.12006	1.7
223.13390	11.6
225.11320	48.9
226.11670	4.0
227.12741	2.8
227.76788	1.7
235.08284	5.9
237.11433	1.6
245.19130	11.4
246.19572	2.0
253.09303	19.3
254.09593	2.1
256.03668	2.4
263.20200	2.3
284.03326	6.4
285.03995	5.7
287.16473	5.1
289.18149	44.0
290.18451	2.3
291.19647	3.2
305.17542	5.1
307.19232	45.0
308.19473	4.0
309.20700	6.9
329.17816	1.7
373.20520	2.0
399.21854	4.0
417.22858	4.5
417.53656	2.2
437.26306	2.1
443.19110	5.5
445.20752	1.7
459.22382	1.8
461.20407	13.2
479.28375	4.0
497.29013	7.4
563.32745	1.8
575.22913	9.6
635.30957	8.1
653.32166	4.0
715.37103	4.2
733.38147	12.3
734.38800	2.6
751.39154	44.6
752.39337	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	750.321
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66444	0.1
56.81839	0.1
59.01259	1.1
61.98717	100.0
62.98425	0.3
69.54572	0.3
69.55010	0.4
71.01279	1.2
71.04915	0.2
72.99195	0.1
73.02834	0.1
75.00775	0.3
78.95814	0.3
80.96405	0.1
81.03340	0.1
83.01305	0.1
83.04932	0.1
85.02849	0.2
87.00800	0.2
89.02348	0.6
96.95918	0.2
97.02843	0.2
98.19761	0.1
101.02354	0.7
105.01897	0.1
113.02369	0.3
119.03430	0.2
125.02396	0.2
126.37640	0.1
135.08023	0.1
161.04640	0.1
163.11197	0.1
171.10266	0.3
179.05583	0.1
195.13921	0.4
196.45781	0.1
197.11819	0.1
207.10339	0.2
209.11818	0.7
210.12186	0.3
223.09679	0.1
223.13391	0.2
225.11240	0.2
227.12811	0.2
235.08282	0.2
242.37349	0.1
275.20221	0.2
291.19772	0.5
292.20056	0.6
293.21292	5.4
333.80112	0.1
397.13596	1.7
398.13959	0.3
415.14651	1.9
416.14633	0.1
690.34021	0.2
691.34778	0.2
751.40790	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	749.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01749	0.6
58.00473	0.9
59.01265	18.7
61.98716	43.5
69.03337	0.6
71.01270	20.6
72.99193	2.7
73.02830	2.8
75.00763	17.0
75.65887	0.5
78.95810	1.2
80.96389	0.7
81.03328	1.0
83.01273	2.3
83.04913	0.8
85.02829	4.3
87.00772	3.1
88.98703	1.3
89.01830	1.1
89.02339	13.5
95.01270	1.1
96.95920	3.5
97.02849	2.6
98.95519	0.8
99.00783	2.0
101.02350	12.9
109.06511	1.0
111.04411	1.1
113.02359	5.9
119.03397	3.5
125.02348	4.7
131.03384	0.8
133.44247	0.6
134.25887	0.6
143.03389	1.8
146.43076	0.6
148.08873	0.8
150.10451	0.6
151.11232	0.8
161.04495	2.8
163.11252	2.2
165.12799	17.0
166.13113	1.3
171.10201	3.8
179.05547	2.5
187.89854	0.6
196.64366	0.7
197.11794	1.9
201.11133	0.8
207.10237	3.4
209.11813	13.3
210.12119	1.2
221.06708	0.9
225.11299	2.7
227.12949	2.4
235.08244	6.7
237.20816	0.7
247.20680	7.5
248.20944	0.8
253.09303	2.9
273.18701	4.7
287.07791	1.3
291.19720	100.0
292.20065	7.6
293.15613	0.7
305.08844	2.5
379.12405	0.7
397.13611	52.2
398.13669	3.7
415.14679	26.5
416.14990	2.5
569.26624	1.1
587.33789	0.8
689.34222	2.2
712.31976	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.2741
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03334	0.5
58.00488	1.1
59.01266	23.6
60.38492	0.4
61.98721	2.2
68.99734	0.5
69.22819	2.6
69.23244	1.6
71.01273	21.1
72.99199	2.1
73.02850	0.7
75.00787	1.7
78.95779	0.8
83.01286	0.8
85.02835	3.1
87.00780	2.5
89.02338	25.0
90.02732	0.4
93.03346	3.4
95.01286	1.4
96.95911	2.2
99.00793	4.5
101.02350	12.0
107.04948	0.4
108.02035	0.7
109.02879	0.9
113.02357	8.6
117.03368	0.5
119.03424	10.8
121.02869	4.9
122.03657	11.3
123.00805	0.5
123.04411	1.1
124.01580	0.9
125.02382	1.1
131.03453	1.4
132.02124	0.4
133.02888	4.1
134.03677	1.4
135.04494	2.3
136.01601	13.6
136.05246	1.0
137.02415	2.7
139.03947	0.6
143.03433	2.6
145.02864	2.4
146.03693	0.8
147.04472	2.3
148.05244	6.3
149.02383	15.7
149.04407	0.8
150.03171	82.9
151.00310	3.6
151.03967	14.5
152.01083	0.9
152.04350	0.6
160.05243	0.8
161.02444	2.9
161.04504	2.7
161.05775	0.6
162.03185	9.6
163.03928	1.3
164.04778	3.1
165.05528	100.0
166.02672	11.3
166.05840	4.6
167.03223	0.4
172.05217	0.4
175.03963	1.1
177.01917	1.0
177.05531	5.9
178.05936	0.4
179.03435	0.6
179.05589	6.8
179.07053	0.5
180.04248	7.1
181.05020	15.4
182.05414	0.5
189.05511	1.0
190.06325	1.2
191.03546	2.6
192.04259	0.5
195.06610	95.9
196.06989	4.8
205.05011	0.6
205.08669	0.6
209.11880	0.7
210.96062	0.4
211.13397	1.1
221.08080	0.5
227.03201	0.4
255.23337	0.8
263.11298	0.4
279.23398	1.2
297.07797	0.5
329.10468	0.9
342.11197	0.9
357.09756	2.3
357.13425	7.9
372.12280	2.8
373.12442	0.6
387.14590	29.0
388.14880	3.2
476.94940	0.4
497.34888	1.8
512.32935	0.4
522.83490	0.4
535.19995	2.9
536.20099	0.7
547.19946	2.5
548.20111	0.7
553.20801	1.5
565.21271	0.7
583.21985	23.9
584.22162	4.9
607.24139	2.7
608.24841	0.4
625.25079	0.6
678.09796	0.4
683.25739	3.2
684.26099	0.7
745.48767	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	743.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00463	2.3
59.01265	40.3
62.16636	0.7
63.67429	0.7
69.55615	5.0
70.00295	0.7
71.01273	28.8
72.99199	2.7
75.89976	0.7
76.03023	0.9
79.96907	0.8
83.01284	1.4
85.02834	5.8
87.00777	1.4
89.02335	33.5
95.01278	1.9
101.02343	25.2
102.02682	1.1
113.02352	12.3
119.03427	16.0
119.04873	1.8
131.03430	1.9
134.37285	0.8
135.04404	0.8
141.33830	0.8
149.04535	1.0
163.03928	1.3
167.19189	0.8
195.76952	1.0
335.77380	0.9
337.15103	100.0
338.15518	8.5
381.26508	0.9
410.41132	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	745.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.6
58.00506	0.8
59.01263	22.9
61.98725	1.6
68.99696	0.6
69.22089	0.6
69.22413	6.8
71.01268	20.1
72.99210	1.6
73.02837	0.6
75.00771	2.4
78.95812	0.9
84.26917	0.6
85.02840	2.4
87.00771	1.8
89.02334	23.5
93.03362	2.4
95.01302	1.3
96.95914	1.1
99.00767	7.2
101.02347	10.7
105.03367	1.0
106.29187	0.5
108.02075	1.1
109.02896	1.5
113.02354	8.9
113.33125	0.6
117.03370	0.7
119.03413	10.8
119.04938	0.6
121.02880	6.0
122.03649	10.2
123.00882	0.6
123.04444	0.6
125.02415	1.4
131.03423	1.0
132.02109	0.7
133.02887	5.0
134.03654	1.6
135.04463	2.5
136.01593	13.7
136.02570	1.0
136.05223	1.3
137.02359	2.5
143.03442	1.7
145.02861	1.6
146.03668	1.1
147.04440	3.8
148.05237	10.0
149.02377	15.2
149.04404	0.8
149.05716	0.8
150.03165	84.2
151.00327	3.4
151.03961	13.6
152.01074	1.1
160.01552	0.7
160.05212	0.6
161.02414	3.5
161.04512	2.2
161.05942	0.8
162.03162	8.3
163.03908	1.8
164.04765	3.6
165.05521	92.5
166.02678	11.4
166.05859	4.9
167.02975	0.7
175.03923	0.9
177.01877	1.8
177.05533	6.2
178.02614	0.8
179.03371	0.8
179.03975	0.7
179.05568	6.3
180.04243	7.5
181.05014	13.4
190.06392	0.7
191.03474	2.4
192.04187	1.0
193.05106	0.7
195.06602	100.0
196.06935	5.0
209.11751	1.4
211.13324	1.2
221.08104	0.7
225.50342	0.7
342.11047	1.6
353.14001	0.6
357.09686	2.3
357.13452	6.3
358.14014	1.0
369.13638	0.6
372.12244	1.6
387.14560	28.3
388.14737	3.2
497.35114	2.1
535.19623	3.1
536.20404	0.7
547.20099	2.8
553.20776	1.4
559.75848	0.6
583.21918	23.5
584.22552	4.6
607.24042	4.7
608.24567	1.0
625.25189	1.8
683.25763	5.0
684.25836	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	741.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	1.7
66.91115	0.9
67.94078	0.9
70.86206	2.0
71.01286	1.0
83.04920	1.9
95.05055	0.9
101.02313	1.6
113.02360	1.2
131.43265	0.9
136.05299	1.1
152.17078	1.0
161.04456	1.2
163.11214	2.0
165.09167	1.7
171.10298	1.2
209.11813	100.0
210.12207	6.7
225.11458	0.9
227.12898	24.6
228.13326	1.3
235.08270	3.4
253.09283	4.5
326.77213	1.2
327.22089	1.5
339.04437	0.9
362.16397	1.0
445.20923	11.4
493.85956	1.1
516.84137	0.9
573.42676	1.0
637.32367	3.0
655.34033	1.6
697.38373	3.2
698.38116	1.4
741.34875	33.3
742.35559	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	740.4949
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85368	0.1
59.01262	0.9
61.98716	100.0
67.88283	0.1
70.96763	0.2
70.97115	0.1
74.40659	0.1
76.80252	0.1
81.03363	0.2
83.04906	0.6
84.05264	0.1
215.43810	0.1
225.16158	0.3
225.18188	0.1
226.16519	0.3
227.16745	0.1
304.10510	0.1
453.33511	0.2
454.34155	0.1
518.37408	0.1
621.79279	0.1
625.13275	0.1
659.33960	0.1
678.49982	0.7
679.50482	2.5
679.61902	0.2
680.50726	3.5
681.51337	0.1
740.49438	2.2
741.50037	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.2
57.03346	0.1
58.00486	0.2
59.01260	3.7
60.27645	0.1
60.49415	0.1
61.98724	0.3
71.01264	2.3
71.04913	0.1
72.99203	0.2
73.02831	0.5
78.49332	0.1
78.95757	0.1
80.02555	0.8
81.03361	0.9
83.01283	0.5
83.04915	4.0
84.02048	0.5
85.02835	0.5
87.00759	0.5
88.74579	0.1
89.01823	0.2
89.02335	2.0
93.03332	0.1
95.04912	0.6
97.02850	0.2
97.06471	0.2
101.02337	2.2
109.06477	0.4
111.08048	0.2
113.02359	1.2
119.03413	0.5
121.10126	0.3
125.05987	0.4
131.03302	0.1
135.08070	0.5
143.03453	0.2
145.04987	0.2
147.11728	0.3
149.79729	0.1
161.04483	0.9
163.11240	3.2
164.11491	0.1
165.12799	1.8
171.10236	1.1
179.05566	0.2
179.14366	0.3
181.12274	0.5
183.10208	0.1
183.13892	0.3
191.10712	0.9
195.13873	2.3
196.14491	0.1
205.12329	0.2
207.10225	0.2
209.11809	100.0
210.12143	6.0
211.13335	0.4
223.13376	1.8
224.13850	0.1
225.11272	0.2
227.12883	10.1
228.13249	0.8
229.51828	0.2
231.21066	0.2
235.08202	2.8
235.17085	0.3
253.09323	10.6
254.09686	0.5
256.13120	0.4
265.21619	0.2
267.44861	0.1
275.20206	3.7
276.20584	0.3
291.19769	0.2
293.21277	37.3
294.21597	3.3
309.21033	0.1
445.20831	1.4
446.21503	0.2
463.21066	0.2
469.68274	0.1
529.30042	0.3
587.51373	0.1
670.35455	0.2
671.35107	0.1
739.41620	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36430	0.2
55.01778	0.2
57.03333	0.5
58.00488	0.2
58.75027	0.2
59.01262	6.0
61.98716	2.3
71.00893	0.3
71.01266	4.2
71.04897	0.3
72.99192	0.3
73.02824	0.5
75.00755	0.4
78.95804	0.5
80.02567	0.9
80.20644	0.1
81.03355	1.1
83.01272	0.5
83.04913	4.0
84.02069	0.7
85.02828	1.0
87.00768	0.5
89.02345	2.7
91.03893	0.2
93.03351	0.3
95.01269	0.3
95.04917	0.7
96.95905	0.3
97.02876	0.2
98.19787	0.4
99.00774	0.3
101.02343	3.3
109.06471	0.3
111.08084	0.4
113.02352	1.8
119.03427	0.6
121.10160	0.7
125.05997	0.6
135.08064	0.5
143.03427	0.3
145.04938	0.2
152.99513	0.2
157.57285	0.2
161.04494	1.6
163.11224	3.1
164.11526	0.3
165.12781	2.6
171.10220	4.0
172.10597	0.3
177.12782	0.3
179.05540	0.5
179.10805	0.2
179.14388	0.6
181.12317	0.6
183.13777	0.4
191.10762	0.9
195.13885	6.7
196.14349	0.5
199.13382	0.3
205.12427	0.4
205.15944	0.3
209.11812	100.0
210.12141	5.5
211.13400	1.2
223.13376	4.2
224.13988	0.2
227.12888	12.9
228.13376	1.2
231.21210	0.7
235.08226	2.3
235.16960	0.3
253.09326	16.7
254.09634	0.7
256.13171	0.8
265.21786	0.3
275.20209	10.2
276.20535	0.8
285.04019	0.4
291.19629	0.3
293.21283	79.4
294.21603	7.4
295.22238	0.2
445.20959	1.2
463.21204	0.2
485.32724	0.4
492.22214	0.3
496.28180	0.2
503.33826	0.4
514.61340	0.2
529.29974	1.0
602.76709	0.2
739.41766	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	739.32
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00471	1.2
59.01264	22.3
69.03345	2.4
70.35516	2.9
71.00903	1.0
71.01269	15.5
72.99183	2.1
73.02824	2.6
74.05099	0.8
80.06041	0.9
83.04903	2.2
83.83395	0.7
85.02843	16.6
87.00765	2.0
89.02339	10.8
93.06984	1.4
95.01247	1.2
96.95895	1.0
97.06448	1.2
101.02338	5.2
101.05992	2.8
109.02852	1.3
111.08070	3.7
113.02370	7.4
113.95989	0.9
119.03426	3.5
121.06462	2.2
123.08087	1.0
125.05965	2.1
129.05513	2.9
135.08102	1.4
139.07645	4.1
139.08542	1.0
145.06645	0.9
149.05946	1.1
151.07533	1.0
155.07083	5.7
161.04408	0.9
161.09698	1.2
177.09177	1.0
179.05606	1.6
185.06131	1.2
187.07483	1.1
197.06012	0.9
197.11777	0.9
199.07588	1.8
201.09180	1.1
203.07101	1.1
205.08661	1.4
213.09100	0.9
220.07388	1.7
221.08113	1.3
225.09279	1.9
227.10712	1.7
229.12355	0.9
237.09033	1.4
239.07164	1.4
239.10785	2.1
241.12340	1.7
251.07011	1.0
253.12329	1.1
257.11990	1.5
264.07870	1.4
265.08688	1.1
265.12329	1.9
266.13074	1.0
267.10257	1.8
267.14035	1.3
268.11081	1.0
277.12256	1.4
279.10364	2.7
279.13678	1.7
280.10959	1.2
281.11896	2.5
283.16632	0.9
295.13263	2.6
296.14023	1.7
297.11533	1.5
297.14874	2.1
298.15732	1.4
299.13205	1.7
305.11978	1.4
307.13440	1.7
307.20401	1.0
311.16666	2.0
315.12683	1.3
315.16144	2.0
321.15005	2.1
323.12988	2.0
323.16489	1.7
325.14536	1.8
337.18161	1.3
339.15915	1.3
341.17584	1.5
355.15704	1.1
356.16287	1.1
357.17020	1.2
367.15558	1.2
385.16635	1.3
427.25259	1.0
433.24097	1.1
451.20798	1.3
459.22116	1.0
461.23788	0.9
467.24286	1.0
471.23590	1.7
477.22839	4.6
479.24509	4.0
482.23154	1.7
485.25348	1.4
489.24893	6.3
490.25845	1.4
495.23996	7.6
496.24362	1.4
497.25598	11.8
498.25757	2.6
505.22559	2.7
513.25055	13.0
514.25568	2.1
515.26587	41.0
516.27075	6.9
517.23944	1.3
523.23480	35.7
524.23822	5.4
541.24554	100.0
542.24866	17.1
559.25635	19.6
560.25946	2.6
721.31207	7.0
722.31940	1.9
739.31976	60.2
740.32306	12.8
742.95465	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	739.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	3.3
59.01263	92.1
60.01597	1.7
60.79142	1.1
70.70642	3.9
71.01254	3.5
71.04908	7.9
72.99196	24.5
73.02811	1.4
74.43096	1.2
75.00767	26.4
78.79414	1.1
83.04913	4.2
85.02823	2.5
87.00758	1.0
87.04410	3.3
96.95918	1.9
97.06476	1.5
99.04438	5.8
103.00273	3.0
107.04988	1.3
107.08569	24.8
108.02071	1.3
109.02847	1.3
109.06487	4.8
151.07584	26.5
159.11734	4.4
161.02435	1.4
163.11279	1.7
167.05858	1.4
175.11224	4.6
177.09109	2.4
177.12849	7.2
207.10246	3.6
221.11829	73.0
222.12158	5.8
237.11333	3.2
239.12910	45.4
240.13269	1.7
255.07043	1.4
265.10883	26.8
266.11191	2.0
281.14090	6.8
283.11929	51.5
284.12268	3.0
325.12985	100.0
326.13388	9.8
440.76129	1.1
456.21341	1.2
467.13699	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	738.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22871	0.1
59.01262	1.5
61.07839	0.1
61.98716	100.0
62.98426	0.2
69.03358	0.1
71.00031	0.1
71.01270	0.9
71.04916	0.1
71.23891	0.1
71.24235	0.1
72.01628	0.1
72.99178	0.1
73.02829	0.1
78.95802	0.3
83.01285	0.1
83.04922	0.2
85.02881	0.2
87.00816	0.2
89.02332	0.7
93.38051	0.1
97.02864	0.1
101.02365	0.6
101.02975	0.1
102.02692	0.1
109.06509	0.2
113.02361	0.3
119.03444	0.1
125.02364	0.1
137.17691	0.1
141.73607	0.1
143.03401	0.1
151.65695	0.1
152.99524	0.2
154.77835	0.1
161.04514	0.1
163.11255	0.2
165.12840	0.1
186.07495	0.1
197.11833	0.1
207.10246	0.4
207.71007	0.1
208.10728	0.1
209.11833	3.1
210.12187	0.2
211.13406	0.1
225.11378	0.5
226.11679	0.2
227.12892	0.6
229.55263	0.1
235.08385	0.4
235.17039	0.3
253.09412	0.6
269.04489	0.1
275.20193	0.5
277.21796	0.7
278.22156	0.8
279.22501	0.5
280.22900	0.1
285.03891	0.1
291.19742	0.3
292.20169	0.3
293.21286	1.2
294.21707	0.3
357.46542	0.1
397.13702	0.4
398.13934	0.7
399.14172	1.3
400.14377	0.5
415.14679	0.2
416.15146	0.2
417.09985	0.1
417.14853	0.4
418.15302	0.2
443.19626	0.1
448.47751	0.1
461.21106	0.1
648.03839	0.1
738.41705	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60201	0.3
57.03338	0.7
59.01266	6.8
61.98722	3.0
69.03343	4.0
69.35031	0.4
70.08389	1.7
71.01263	5.2
71.04907	1.6
72.26293	0.4
73.02827	1.1
78.95779	1.9
80.96408	0.7
83.01282	0.4
83.04895	0.6
85.02835	1.2
87.00776	0.8
89.02337	1.6
97.06510	0.6
98.08769	0.4
99.00777	0.5
101.02345	3.2
109.06507	0.5
110.10689	0.4
111.04403	0.8
113.02362	1.5
123.08043	1.3
125.09666	2.0
137.09622	0.6
151.11163	2.8
152.99544	1.4
153.12755	0.8
161.04492	0.8
161.09676	4.6
169.12260	1.7
179.10724	7.0
197.11806	42.3
198.12129	2.2
205.08711	0.7
216.29211	0.4
223.09698	1.5
233.53241	0.4
235.08331	0.5
241.10738	1.8
253.09326	2.3
275.20145	0.7
277.21774	49.7
278.22119	4.6
279.23367	0.8
291.19742	0.7
293.21292	1.1
295.87735	0.4
297.42215	0.4
315.14291	0.4
433.96350	0.4
459.18680	1.0
461.19907	0.4
477.19791	1.0
737.41309	100.0
738.41663	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	737.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.8
59.01263	9.1
61.98713	4.4
69.03342	3.9
70.63448	1.0
70.63836	1.1
71.01262	6.4
71.04911	1.6
72.99195	0.6
73.02841	0.9
78.95795	2.9
80.96390	0.6
83.04922	0.8
85.02853	1.3
87.00784	0.8
89.02345	3.0
97.02872	1.0
97.06480	1.2
98.20457	0.6
101.02364	4.2
109.74498	0.5
111.04388	0.9
113.02345	2.4
123.08085	1.0
125.09635	2.2
137.09689	0.7
151.11223	1.7
152.99530	1.2
153.12793	2.3
161.04527	1.6
161.09639	2.3
169.12318	5.7
179.10744	6.3
197.11807	90.6
198.12190	6.7
201.11063	0.7
205.08707	1.3
207.10332	0.6
223.09793	2.4
241.10841	3.8
253.09233	4.0
277.21777	31.3
278.22064	3.2
279.23270	1.0
293.21262	0.8
307.00424	0.6
433.21075	0.6
459.18890	1.1
477.20062	1.4
488.20673	0.6
550.41882	0.6
587.05383	0.6
719.40997	1.0
737.41315	100.0
738.41541	26.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
56.90239	0.2
57.03342	0.8
59.01262	10.0
61.14398	0.3
61.98703	0.4
69.03348	0.5
71.01273	5.0
71.43919	0.5
72.99184	0.7
73.02836	1.1
75.00776	0.3
75.72701	0.2
80.02574	0.4
81.03346	1.7
83.01270	0.6
83.04907	1.8
85.02850	1.4
87.00774	1.3
89.02343	3.1
90.73893	0.3
93.03371	0.3
95.01305	0.3
95.04958	0.6
97.02851	5.5
97.06438	0.3
99.00783	1.7
101.02344	4.9
106.04178	0.4
107.04906	0.7
109.06499	21.5
110.03644	1.1
110.06840	0.7
111.00811	0.4
111.04472	0.3
111.08064	0.7
113.02353	2.8
115.03950	0.4
119.03414	1.1
121.06511	1.5
121.10120	0.3
123.04429	2.5
124.86298	0.3
125.02370	0.4
125.09619	0.6
131.03433	0.3
133.06534	0.3
135.08070	2.6
136.05255	1.3
137.06061	0.3
138.22124	0.3
142.02634	1.6
143.03392	0.5
145.04961	0.6
145.10147	0.3
153.89966	0.3
159.02924	0.3
159.81438	0.3
161.04510	2.5
161.09641	1.5
163.11234	12.3
167.10732	0.4
171.10219	1.8
172.10425	0.3
172.91611	0.3
178.72743	0.2
179.05478	0.6
179.10716	1.1
179.14421	0.7
181.12296	3.3
189.09166	2.1
195.13890	8.9
196.14426	0.8
205.12260	0.8
205.15991	0.5
207.10248	76.5
208.10587	4.7
209.11818	4.7
211.13391	1.0
223.13396	6.1
224.13788	0.4
225.11324	23.3
226.11665	1.7
227.12869	0.9
228.13576	0.6
231.21266	0.5
235.08275	4.4
243.12363	0.6
253.09325	22.8
254.09752	1.4
256.13214	1.0
265.21704	0.4
275.20193	7.8
276.20563	1.0
279.23376	0.4
291.19711	2.5
292.20282	0.3
293.21286	100.0
294.21606	8.4
299.03073	0.2
299.14938	0.9
307.19193	0.3
439.31635	0.3
443.19235	4.0
444.19748	0.4
457.33618	0.6
461.20404	7.1
462.20609	0.6
483.30997	1.5
484.31888	0.3
492.21973	0.5
500.65317	0.3
501.31970	0.3
514.59027	0.3
529.30414	1.7
530.31158	0.4
639.34387	0.5
719.40533	2.3
720.40991	0.5
737.41327	37.7
738.41614	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	737.3078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.4
55.99619	0.3
57.03334	0.5
57.86274	0.4
59.01268	2.0
61.98713	2.9
63.96132	1.8
69.03339	0.7
69.43645	1.7
69.44070	0.9
71.01270	9.0
71.74663	0.3
72.99226	0.6
73.02836	1.6
75.00764	0.5
78.95795	0.5
78.98476	7.1
79.95622	14.6
80.02579	0.4
80.96409	79.2
81.03357	1.0
83.01265	0.4
83.04928	0.8
85.02836	3.4
87.00774	3.9
94.97982	17.9
95.04942	0.4
96.95916	1.7
97.02859	2.0
98.19838	0.6
99.00790	0.9
101.02349	3.0
106.98000	3.3
113.02400	0.8
122.97511	3.4
125.02363	3.6
127.03928	1.0
134.97510	5.5
136.99089	1.8
143.03421	0.4
146.97562	0.4
148.99086	6.4
152.98584	7.2
161.94872	0.3
163.11142	0.5
164.98584	15.2
167.00119	0.8
169.12419	0.3
171.10199	1.9
177.24928	0.3
179.00049	0.4
188.98669	0.4
197.11821	2.4
201.11214	0.4
206.99663	4.0
209.11809	8.3
210.12204	0.5
225.00742	27.9
225.11203	0.4
226.01096	1.0
227.12982	0.7
248.68784	0.4
253.09245	0.4
283.05048	0.6
509.17044	4.7
510.17258	0.6
663.34027	0.5
699.35681	0.7
705.34418	0.4
719.34100	0.3
737.30756	100.0
738.30988	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	736.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44195	0.0
59.01268	0.1
61.98716	100.0
62.98416	0.2
71.14621	0.1
72.82768	0.0
75.64449	0.1
77.71699	0.0
78.95801	0.1
80.96413	0.2
89.45062	0.0
99.00769	0.1
104.80188	0.0
123.31248	0.0
162.16893	0.1
171.10210	0.1
197.11821	0.1
209.11850	0.5
210.12207	0.3
211.12401	0.1
228.13292	0.1
265.12564	0.0
327.05792	0.1
588.90442	0.1
736.30182	0.2
737.30872	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30960	0.1
58.78115	0.1
59.01258	0.5
61.98714	100.0
62.98418	0.2
63.99162	0.2
68.62086	0.2
71.01270	0.5
71.57364	0.2
73.02850	0.3
75.00775	0.4
78.95808	0.3
79.42416	0.1
80.96417	0.4
83.04899	0.2
94.97997	0.1
96.95916	0.7
116.92771	0.8
117.92783	0.4
156.40236	0.1
171.10260	0.2
177.73270	0.1
197.11798	0.2
209.11803	1.9
210.12187	0.9
211.12489	0.5
227.12918	0.2
253.09370	0.2
279.23383	0.2
431.04666	0.2
486.90863	0.1
736.29352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46275	0.5
57.03335	0.8
59.01263	6.5
61.98719	1.0
69.03339	2.3
71.01256	4.0
71.04905	1.1
71.57589	0.5
73.02831	0.9
78.95805	0.9
82.77170	0.4
85.02829	0.9
87.00780	0.8
89.02338	2.8
95.01325	0.5
101.02336	3.6
109.06516	0.6
111.08073	0.7
113.02358	1.7
119.03405	1.1
135.11642	0.7
137.13403	0.4
141.76189	0.4
145.05028	0.6
149.09706	1.0
152.99500	0.8
161.04482	1.6
161.13313	0.7
167.10756	3.1
177.12750	0.6
179.10756	1.5
179.14345	4.0
188.01257	0.5
195.13872	16.4
196.14182	1.3
205.12320	8.9
205.15846	0.5
206.12657	0.6
207.10397	0.6
209.11778	0.6
211.13422	0.5
223.13388	100.0
224.13708	7.2
225.11508	0.5
225.14876	0.6
231.21068	0.7
235.08214	3.7
253.09306	16.6
254.09622	1.0
255.23413	0.7
256.13147	0.7
275.20206	5.8
277.21793	0.6
293.21283	83.7
294.21622	7.7
301.47931	0.5
330.32077	0.6
441.21356	1.0
459.22470	13.8
460.22620	1.6
499.34586	0.9
529.30212	1.3
735.43286	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	735.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00492	1.1
59.01260	11.3
61.98715	53.0
67.31363	0.7
69.03342	2.4
69.75160	5.5
71.01271	14.8
72.99210	1.1
73.02824	2.8
75.00768	1.5
78.95801	2.5
80.02573	1.1
80.96424	1.3
81.03339	2.4
83.01279	3.4
83.04913	6.1
84.02066	3.3
85.02846	4.1
87.00768	2.6
89.02353	3.8
91.03914	0.7
93.03359	1.1
94.22158	0.7
95.01284	1.3
95.04941	2.1
96.95930	2.6
97.02851	4.9
97.06506	1.1
99.00770	1.2
101.02344	7.9
103.56367	0.8
109.06462	4.9
110.03622	1.2
111.04476	1.2
113.02363	4.2
113.05936	0.8
116.92799	2.6
119.03441	1.6
123.08068	2.2
125.09641	3.8
127.11198	2.3
135.08083	2.7
139.64516	0.9
142.02623	1.3
143.03453	0.9
149.09726	0.9
151.11215	0.9
152.99557	1.5
153.09201	1.1
153.12738	0.9
155.10703	1.3
161.04576	1.9
161.09641	1.8
163.11226	10.8
165.12787	2.9
169.12320	2.5
171.10214	37.4
172.10582	3.2
179.10727	2.6
181.12279	3.3
185.11792	2.7
191.10762	2.7
197.11806	46.0
198.12172	2.8
201.11311	13.2
202.11674	1.0
207.10252	31.3
208.10542	1.8
209.11809	100.0
210.12157	8.0
211.13327	1.4
215.12929	1.0
225.11328	24.0
226.11777	2.3
227.12872	9.6
235.08209	7.0
239.12897	21.3
240.13271	1.3
241.14455	1.1
243.12372	1.5
253.09334	18.6
254.09856	1.0
267.53949	0.8
271.15567	3.4
273.17136	88.3
274.17407	5.5
295.10318	1.7
426.60211	0.9
430.42764	0.9
433.20749	3.2
443.19540	1.1
445.20834	2.0
461.20459	3.1
509.26312	1.2
580.22162	0.9
717.37219	3.7
735.38251	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	0.1
61.98716	100.0
62.98424	0.1
71.01284	0.1
80.96414	0.1
83.04913	0.1
83.51394	0.1
98.20592	0.1
109.06499	0.1
151.10820	0.1
197.11980	0.1
207.10303	0.3
208.10645	0.2
209.11948	0.4
210.12238	0.3
211.12616	0.1
225.11465	0.1
226.11543	0.1
239.64458	0.1
456.03949	0.1
673.33704	0.1
737.14319	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	733.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	2.2
61.98714	14.5
71.01264	2.3
71.49034	0.3
73.02843	0.3
75.00774	0.3
77.65519	0.2
78.95795	0.4
80.02561	0.8
80.96391	0.3
81.03343	0.7
83.01277	0.3
83.04910	3.8
84.02052	0.7
85.02847	0.6
85.05013	0.2
87.00770	0.5
89.02331	0.8
95.01286	0.2
95.04921	0.5
96.95922	1.6
96.96825	0.2
97.02802	0.2
101.02345	1.6
103.18482	0.2
109.06489	0.5
113.02345	0.7
125.05963	0.3
125.09632	0.7
135.08052	0.6
147.11766	0.2
155.34666	0.2
158.58569	0.2
161.04477	0.8
163.11241	3.3
165.12790	2.3
171.10197	0.5
179.05511	0.2
181.12305	0.8
191.10713	0.9
197.11815	0.2
199.13329	0.5
200.31375	0.2
201.11357	0.4
207.10268	0.2
209.11806	100.0
210.10103	0.3
210.12131	6.8
227.12880	12.8
228.13156	0.9
235.08293	1.5
253.09341	4.9
445.20837	2.8
446.21588	0.4
463.21710	0.3
637.32465	0.9
653.02960	0.2
655.33063	0.6
733.39447	0.6
734.38715	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	23.2
61.98721	79.0
70.52409	5.2
71.01266	11.1
72.99186	1.7
73.02834	2.1
75.00755	6.5
81.03345	2.7
83.04900	2.6
85.02841	2.9
87.00786	2.7
88.98710	1.7
89.02335	4.3
96.95891	2.5
97.02847	5.5
99.00761	1.9
101.02338	7.5
107.04932	1.9
109.06503	23.1
113.02337	4.0
119.03352	2.1
121.06414	2.0
125.09625	2.1
135.08058	3.0
161.04495	2.1
163.11215	10.8
169.12309	9.0
171.10201	3.5
181.12363	2.3
185.11761	1.9
189.09183	1.9
197.11812	100.0
198.12144	7.4
200.96263	1.3
201.11092	1.6
207.10255	60.7
208.10538	3.5
209.11812	16.8
225.09114	1.0
225.11293	28.6
225.13327	2.8
226.11732	1.9
227.12831	3.1
235.08194	5.6
239.12877	1.4
253.09285	11.7
341.21118	1.6
359.22296	3.0
369.20709	7.3
377.23312	2.6
387.22028	9.0
405.22974	2.6
433.20752	6.1
443.19315	3.8
461.20383	8.0
513.61334	1.7
527.32721	2.6
587.21954	2.8
595.31232	3.4
605.29889	3.2
623.30920	40.5
624.30957	7.2
641.07031	1.5
641.32001	41.1
642.32227	9.7
669.83453	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	731.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.7
59.01259	7.7
60.10880	0.5
61.36814	0.5
61.98719	5.7
69.03374	0.5
70.65369	1.5
71.01276	5.7
71.04916	0.6
73.02847	1.3
75.00769	1.0
78.95789	0.7
80.02556	1.2
81.03349	1.6
83.01288	1.5
83.04915	5.6
84.02059	1.2
85.02866	0.8
87.00760	1.1
89.02330	2.4
93.03372	0.9
95.01295	0.6
95.04925	1.3
96.95892	3.6
97.02851	4.8
97.06516	0.6
99.00772	6.0
101.02348	4.1
107.04947	0.5
109.06512	6.7
110.03640	0.8
113.02334	1.8
119.03398	0.7
121.06526	0.9
123.08071	0.6
125.02401	0.8
125.05988	0.6
125.09635	3.4
135.08093	1.0
136.05225	1.2
139.03906	0.5
142.02682	1.7
143.03445	0.6
145.05049	0.7
151.07588	0.6
161.04558	0.8
163.11218	11.1
164.11510	0.7
165.12794	1.5
171.10213	2.1
179.10739	0.7
181.12308	10.2
182.12665	0.7
185.11823	0.9
189.09184	0.6
191.10733	1.2
197.11809	0.9
199.13309	0.8
203.14345	0.6
207.10248	37.2
208.10573	2.3
209.11815	100.0
210.12163	7.1
225.11325	55.4
226.11607	4.0
227.12888	15.8
228.13177	0.8
235.08267	2.2
243.12378	6.0
253.09354	4.8
304.49402	0.7
373.23694	0.9
391.25085	0.6
399.21802	1.2
417.22952	1.8
427.77219	0.5
435.24088	1.3
443.19324	2.7
445.20865	1.5
461.20398	14.4
462.20679	2.2
609.32617	1.0
627.30585	0.6
635.30670	3.3
653.31897	16.3
654.32062	2.7
671.32990	17.4
672.33057	2.7
731.35895	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	0.3
61.98714	100.0
62.98414	0.2
65.20065	0.1
70.57741	0.2
71.01290	0.1
75.00771	0.1
78.95827	0.1
83.04922	0.1
86.51463	0.1
88.98715	0.1
96.95882	0.1
97.02881	0.1
109.06524	0.2
125.02297	0.1
125.09660	0.1
163.11237	0.2
169.12187	0.1
171.10306	0.1
197.11772	0.3
207.10199	0.4
208.10561	0.2
209.11960	0.5
225.11388	0.3
226.11852	0.1
253.09492	0.1
311.80118	0.1
654.31659	0.2
672.33099	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	731.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
64.24018	0.3
69.86091	0.5
69.86504	0.9
93.03364	0.4
119.04942	100.0
120.04435	0.4
120.05264	4.6
142.91634	0.2
163.03952	80.0
164.04277	4.6
222.73386	0.2
250.81792	0.2
325.09348	11.8
326.09647	1.0
350.07767	0.3
506.05276	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	1.2
59.01266	8.0
61.98724	4.0
69.03360	2.2
69.92551	2.8
69.92966	1.1
71.01273	5.1
71.04926	1.1
71.48631	0.6
73.02834	0.7
75.00757	1.5
76.31781	0.6
80.02578	1.1
81.03362	0.7
83.01307	0.8
83.04918	4.4
84.02056	0.7
85.02848	1.8
85.06483	0.6
87.00780	2.2
89.02344	2.5
90.80967	0.6
96.95893	1.0
99.00770	0.9
101.02357	3.3
109.06490	1.1
111.08051	0.7
113.02364	2.8
116.92763	2.2
119.03368	0.8
135.11682	0.7
145.05077	0.8
161.04544	1.3
161.13229	0.8
163.11230	3.2
165.12767	1.3
167.10701	3.2
171.10237	1.9
179.05630	0.7
179.10751	1.2
179.14355	2.7
181.12271	0.8
184.46783	0.6
191.10658	0.9
195.13895	10.6
196.14020	0.7
197.11804	1.5
198.73180	0.7
199.09595	1.0
201.11314	6.4
205.12346	9.3
206.12505	0.7
207.10217	0.7
209.11812	85.8
210.12152	4.8
223.13387	100.0
224.13676	6.1
225.11333	0.8
227.12897	15.4
228.13193	1.0
235.08293	4.8
249.14935	0.7
253.09285	10.1
261.15024	1.8
291.19760	0.9
309.20770	2.1
375.28546	0.7
441.21368	1.1
445.20834	2.1
459.22443	15.8
460.22687	1.4
633.33026	1.2
651.33447	2.5
652.32965	0.7
729.35791	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.6
59.01264	5.6
60.94407	0.5
61.98717	2.6
64.17400	0.4
69.03340	1.1
71.01263	3.7
71.04906	0.6
71.48772	0.6
73.02822	0.5
75.00763	1.2
78.95772	0.5
80.02587	1.0
81.03346	1.5
83.01273	0.6
83.04912	4.7
84.02047	1.1
85.02853	1.0
87.00777	0.8
89.02329	2.1
93.03317	0.4
95.01283	0.8
95.04929	0.8
96.95877	0.6
97.06480	0.8
99.00789	0.6
101.02360	3.0
108.28428	0.5
109.06516	0.8
111.08020	0.5
113.02332	2.0
116.97131	0.7
119.03444	0.8
125.09669	0.8
127.11222	0.6
135.08083	0.7
147.73438	0.5
161.04552	1.0
163.11224	3.1
165.12791	1.6
167.10699	1.3
171.10239	2.2
179.05524	0.5
179.10693	0.6
179.14336	1.2
181.12251	0.8
191.10680	0.8
195.13885	3.4
197.11803	1.0
201.11313	5.8
205.12300	4.1
207.10252	0.6
209.11821	100.0
210.12161	5.7
223.13397	46.2
224.13763	2.4
227.12894	14.3
228.13289	0.7
235.08252	2.7
253.09334	8.7
256.68561	0.4
309.20752	2.5
337.67599	0.5
343.42993	0.5
441.21478	1.5
445.20724	4.4
459.22470	3.4
463.21893	0.8
633.32953	0.6
651.33765	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	729.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54383	0.9
57.03322	2.2
59.01263	27.1
60.99174	1.1
61.98704	3.0
69.03323	1.1
69.27927	7.8
69.28345	2.4
71.01265	12.5
71.04869	1.1
72.99180	4.8
73.02818	2.3
75.00757	2.7
78.95806	0.9
81.03341	3.8
83.01260	2.0
83.04898	3.3
85.02838	4.0
87.00773	4.3
88.98701	2.3
89.02334	5.6
95.04910	3.9
96.95885	2.3
97.02335	1.2
97.02856	12.3
97.06497	2.1
99.00767	10.2
101.02342	8.6
107.04928	1.5
107.31947	1.1
109.06496	34.2
110.03645	2.2
110.06809	1.1
113.02364	5.4
119.03407	1.2
121.06493	3.4
123.08063	2.0
125.02330	1.0
125.09627	7.0
129.01785	1.0
135.04520	1.1
135.08089	5.3
136.05219	3.0
142.02609	4.1
145.04962	2.5
147.04448	0.9
161.04514	3.3
161.09660	3.2
163.11227	22.6
165.12724	1.4
171.10268	2.5
175.11198	2.3
179.10744	1.5
181.12296	16.6
185.11775	9.9
187.09698	1.6
189.09109	1.0
191.10722	1.5
197.11739	2.2
199.13216	1.2
201.11189	1.8
207.10249	100.0
208.10550	7.8
209.11798	10.0
211.13414	1.2
217.00302	2.6
219.13957	2.0
221.11815	2.9
223.09679	2.2
223.13380	1.4
225.11333	84.4
226.11647	6.4
227.12990	1.8
235.08249	5.5
237.11247	1.5
237.14799	1.3
243.12451	5.2
247.09734	2.5
253.09323	6.0
263.12927	2.0
265.10828	1.5
296.42490	1.0
327.23325	2.7
337.03265	1.3
345.24344	3.7
353.21399	2.9
371.18259	0.9
371.22406	12.2
389.23413	20.3
390.23727	2.3
407.24811	7.8
408.24670	1.2
415.21405	5.8
433.21936	1.6
443.19308	3.7
461.20377	14.6
462.20703	1.6
607.31567	13.3
608.31451	1.6
625.31537	13.6
626.31213	3.2
633.29120	3.7
641.31604	1.2
651.30353	37.5
652.30524	6.8
669.31372	60.7
670.31818	11.5
711.35986	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	729.2054
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.2
58.00485	0.5
59.01263	4.2
63.02293	0.4
64.84052	0.3
65.00232	0.6
69.68331	1.7
72.99203	0.7
75.00747	0.5
83.01308	0.5
85.02845	5.6
87.04411	1.3
95.04917	0.6
97.06495	0.5
99.04417	0.5
101.99496	3.3
103.00275	12.5
104.00636	0.3
107.01290	0.7
107.04916	0.5
107.08559	1.4
109.02866	2.8
111.04436	0.8
113.05988	2.9
120.05785	0.3
121.06426	0.4
123.08059	0.5
125.05991	2.7
133.02863	1.7
133.06520	0.5
133.10242	0.5
149.02379	0.9
151.00330	2.3
151.07581	0.6
157.10184	1.2
160.09048	0.3
161.02428	0.4
165.12779	0.4
173.09685	0.7
175.03960	1.0
175.11249	7.7
176.04083	0.3
176.11551	0.5
177.09201	1.5
193.12318	3.7
199.03947	1.2
201.01910	0.4
201.09131	0.8
217.05055	0.7
219.10271	1.7
227.03456	0.6
237.11365	3.0
241.05113	0.4
243.03017	0.3
256.03748	1.8
263.09317	2.5
281.10373	38.6
282.10693	3.0
283.02380	0.4
284.00085	0.7
284.03329	36.9
285.04089	81.5
286.04462	6.4
297.04080	0.3
299.05838	0.4
327.05176	1.1
376.06216	0.3
447.09409	100.0
448.09708	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	727.4294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32518	0.3
59.01262	14.0
71.01260	1.9
78.95776	0.7
84.68753	0.3
85.02892	0.4
87.00762	0.4
89.02342	0.6
101.02325	1.7
113.02356	0.7
122.89547	0.3
125.09654	0.7
127.11253	1.5
150.13835	0.3
152.99507	1.0
153.09108	0.3
161.04485	0.3
171.10211	100.0
172.10568	4.6
209.11827	0.5
210.12103	0.4
235.08220	1.7
253.09309	4.8
255.23254	1.5
277.21768	47.3
278.22079	4.7
279.23187	0.5
407.19284	3.2
408.19751	0.3
513.30634	0.6
521.92932	0.3
637.37042	0.5
709.39453	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02273	0.4
53.66376	0.4
55.91352	0.4
59.01264	18.4
60.01579	0.5
71.01278	2.7
73.02839	0.6
74.71714	0.4
78.95795	2.0
85.02846	0.6
87.00810	0.6
89.02339	1.7
101.02338	1.9
113.02341	1.3
127.11170	1.1
138.62033	0.4
152.99559	2.1
153.09067	0.7
161.04549	0.8
161.22392	0.6
169.94431	0.5
171.00589	0.6
171.10213	84.4
172.10579	4.0
182.83527	0.5
209.11813	1.8
235.08275	3.0
238.04410	0.5
253.09309	6.8
255.23280	3.3
257.97058	0.5
268.91434	0.5
277.21771	100.0
278.22095	8.3
279.23401	1.2
280.23627	0.7
281.24777	1.5
342.63892	0.5
407.19193	1.2
513.30975	1.6
637.37524	1.4
709.39264	1.0
727.41321	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	727.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.2
59.01262	28.7
61.98711	6.0
65.46825	1.8
66.15849	1.6
66.79135	1.3
66.91154	1.4
69.03345	4.2
71.01266	13.5
71.57096	3.3
72.99200	2.1
73.02826	3.4
79.10220	1.3
81.03342	2.9
83.01312	2.1
83.04911	3.5
84.93942	1.5
85.02859	3.2
87.00755	3.6
89.02332	5.2
95.04933	2.5
96.95894	2.3
97.02856	7.0
97.06506	1.7
101.02350	7.6
107.04933	1.5
109.06503	25.8
110.03548	1.5
113.02356	6.4
116.92763	23.3
121.06465	2.0
125.02310	2.2
125.04894	1.6
125.09633	3.8
134.03708	2.1
135.04480	1.7
135.08095	2.9
142.02634	1.9
161.04507	3.4
161.09641	2.0
163.11258	12.4
165.76224	1.6
167.10773	4.2
171.10245	3.4
177.12733	1.8
179.10713	2.4
179.14436	4.5
181.12340	4.3
185.11862	3.5
189.09213	2.8
193.05045	2.7
195.13896	15.8
201.11366	2.9
205.12343	13.3
207.10245	69.2
208.10580	4.6
209.11829	6.6
213.58765	1.5
223.13388	100.0
224.13686	6.9
225.11330	34.1
227.12994	2.3
235.08203	7.3
249.15028	2.2
253.09277	10.2
263.12988	1.8
266.97580	1.8
287.16455	1.7
309.21341	1.6
351.23401	2.0
377.21405	3.0
385.23706	2.8
395.22421	11.4
403.25012	2.0
413.23355	19.3
414.23688	2.1
431.24561	9.2
443.19266	2.5
459.22293	12.8
460.22986	2.9
461.20416	8.9
583.07715	1.9
605.29828	2.4
621.32440	3.7
628.24438	1.7
631.31281	8.2
649.32312	45.9
650.32764	8.8
667.33380	43.9
668.33710	9.6
727.39087	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	727.3333
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89766	0.9
59.01263	9.3
61.98716	1.9
69.34945	8.5
71.01261	5.6
73.02813	1.2
74.12315	0.8
75.00768	5.7
78.95790	1.5
81.03338	1.1
83.04899	1.8
85.02867	2.1
88.46721	0.8
89.02345	3.4
91.05406	0.9
93.03329	0.9
96.95895	4.2
98.19781	1.4
99.00784	15.7
101.02363	3.7
103.05390	0.9
105.03394	1.0
107.04962	1.1
108.02108	1.5
109.02863	1.4
109.06548	1.0
113.02368	2.9
119.03419	1.2
119.04916	1.2
121.02915	1.0
125.02358	0.9
132.02058	1.3
133.02896	4.9
134.03685	2.3
134.61501	0.8
135.04453	4.7
137.02393	1.3
139.48128	0.8
141.74747	0.7
145.02847	1.2
147.04477	6.0
148.05235	22.9
152.01134	1.4
152.71071	0.8
157.16129	0.9
160.01598	1.6
161.02400	4.1
161.04497	0.9
163.03972	3.7
165.12755	0.8
171.10268	1.6
174.03189	1.2
179.05530	1.6
187.03940	0.9
191.03482	5.8
191.10793	1.1
192.04137	1.8
201.11292	27.7
202.11630	1.5
207.10249	1.2
209.11812	100.0
210.12123	7.2
211.13374	2.3
225.11299	2.3
227.12875	22.7
228.13254	2.0
235.08292	6.3
236.03380	0.8
236.23332	0.8
253.09305	10.8
309.15042	2.6
327.16162	4.2
353.14142	2.9
393.22934	2.4
419.19128	1.9
437.20306	3.9
445.20819	15.6
446.21445	2.7
447.21921	1.6
463.22055	2.1
479.34009	1.1
505.34903	0.9
563.25116	1.6
581.26355	1.3
589.23407	1.4
607.24023	16.1
608.24347	3.8
611.31567	0.9
625.25378	2.8
629.31757	5.5
630.32135	1.2
637.32550	3.5
647.32422	2.1
665.24835	1.0
667.39685	1.1
673.35046	2.1
683.25879	3.3
684.26324	1.0
727.33337	32.2
727.43335	1.2
728.33453	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	725.4136
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75453	0.9
57.03339	1.4
59.01262	13.4
60.03192	0.7
61.98715	4.9
70.71857	1.7
70.72204	1.2
71.01273	5.7
73.02831	1.5
83.04918	1.1
89.02345	3.2
95.04916	1.2
96.95920	2.1
97.02899	0.9
97.06470	2.6
98.95503	1.0
101.02351	4.0
113.02330	1.9
151.11224	12.2
152.99435	1.0
169.12297	91.2
170.12627	6.1
171.10190	1.3
185.11829	0.9
191.13957	0.8
195.10307	1.4
195.13870	2.5
197.11797	2.7
209.11896	1.2
213.11324	12.5
223.13333	2.5
235.08278	1.5
253.09294	3.3
275.02292	0.9
275.20288	1.6
293.21310	9.8
294.21609	0.9
314.38251	0.9
337.26910	0.8
431.19138	2.4
449.20370	5.1
725.41302	100.0
726.41644	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	725.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.1
59.01265	19.7
61.98707	1.9
69.03342	2.8
71.01270	3.3
71.04922	0.7
71.27483	1.0
73.02862	0.7
73.59416	0.5
78.29826	0.5
78.95790	0.8
83.04929	1.1
85.02840	0.9
85.06473	0.8
87.00768	0.8
89.02336	2.1
92.81921	0.4
95.01234	0.4
95.04945	0.7
96.95888	0.9
101.02334	2.5
103.48759	0.5
103.62480	0.5
111.08070	1.4
113.02386	1.6
119.03488	0.6
125.09673	0.7
136.59656	0.5
149.09631	0.5
161.04465	1.7
167.10727	3.6
169.12349	2.8
171.10188	1.2
179.05585	0.7
179.10794	1.3
179.14355	2.4
195.13881	8.9
196.14206	0.7
197.11809	35.1
198.12173	1.6
205.12323	8.4
211.13461	1.1
213.11307	0.8
223.13396	100.0
224.13744	6.3
235.08226	3.5
249.15018	0.6
253.09323	7.1
291.19769	3.9
309.20795	9.6
411.25302	0.8
429.26556	0.8
433.20856	1.9
441.21411	2.2
459.22479	16.7
460.22720	1.7
647.34662	2.0
665.35498	3.6
666.35950	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.1
57.03327	0.1
58.00483	0.1
59.01259	2.9
60.01615	0.1
69.03342	0.1
71.01266	2.4
72.99204	0.1
73.02829	0.4
78.95768	0.3
80.02565	0.9
81.03342	1.0
81.86456	0.1
83.01284	0.5
83.04912	4.3
84.02052	0.7
84.05244	0.2
85.02840	0.5
87.00790	0.3
89.02333	1.9
93.03327	0.1
95.01286	0.2
95.04903	0.6
96.96992	0.1
97.02847	0.2
97.06486	0.2
99.00790	0.1
101.02339	1.8
102.02686	0.1
109.06516	0.3
111.08076	0.1
113.02363	1.1
119.03429	0.5
125.02349	0.1
125.05994	0.5
125.09599	0.1
127.07570	0.1
129.01767	0.1
133.05000	0.1
135.08102	0.6
143.03413	0.3
145.04932	0.2
147.11746	0.2
149.46794	0.1
152.99530	0.4
153.12857	0.1
161.04530	0.8
161.09700	0.1
163.11229	3.5
164.11563	0.3
165.12801	2.3
166.13155	0.1
173.09702	0.1
179.05554	0.4
181.12349	0.5
182.12698	0.1
191.10762	0.9
199.13339	0.1
207.10223	0.2
209.11806	100.0
210.12148	6.4
225.11307	0.2
226.11792	0.1
227.12883	10.6
228.13191	0.7
229.14537	0.1
233.22835	0.2
235.08244	1.3
253.09299	6.9
254.09669	0.3
259.20770	0.2
275.20166	0.2
277.21759	46.5
278.22110	4.7
279.22897	0.1
280.55713	0.1
445.20862	1.0
446.21271	0.1
463.21716	0.2
469.14948	0.1
607.59979	0.1
705.36176	0.3
723.43774	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	723.4104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68917	1.0
59.01250	3.6
59.61374	1.1
61.98728	5.5
68.58144	0.9
71.48302	2.2
78.95795	35.9
80.02568	1.2
81.03352	1.3
83.04932	7.4
84.02070	1.4
96.96868	3.0
109.06471	1.3
130.26361	1.1
135.08105	1.4
152.99530	51.9
163.11270	5.2
165.12823	2.0
171.00575	5.4
171.10452	1.3
185.28049	1.1
191.10780	2.2
209.11824	100.0
210.12160	6.7
227.03308	4.1
227.12909	12.4
245.04337	1.9
253.21776	18.5
254.22121	1.4
255.23279	1.4
277.21768	1.7
293.21606	1.4
315.69235	1.1
363.12134	2.6
395.14844	1.3
429.20276	2.3
437.15900	4.6
455.16879	6.8
487.19611	71.2
488.20047	5.8
633.63031	1.2
658.03906	1.1
691.38141	7.0
692.38678	1.1
723.41083	81.0
724.41412	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	723.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03339	0.2
59.01267	4.1
67.13783	0.2
69.03364	0.2
71.00890	0.3
71.01274	3.2
71.02460	0.2
72.99207	0.2
73.02840	0.8
78.25391	0.2
78.95805	0.3
80.02574	0.6
81.03366	0.8
83.01273	0.6
83.04922	3.2
84.02067	0.6
85.02839	0.9
87.00778	0.9
87.52949	0.2
89.02341	1.5
91.03942	0.2
95.01299	0.2
95.04941	0.6
97.02834	0.3
97.06511	0.2
99.00777	0.2
101.02350	2.7
109.06486	0.3
109.75020	0.2
113.02358	1.7
119.03421	0.6
125.06055	0.2
127.07555	0.2
127.11330	0.1
133.05034	0.2
135.08076	0.4
136.97218	0.2
138.91451	0.2
143.03445	0.2
145.04964	0.4
147.11700	0.2
152.29257	0.2
152.99513	0.5
161.04491	1.5
163.11223	2.8
164.11533	0.2
165.12816	1.8
173.17754	0.2
179.05482	0.2
181.12326	0.5
185.13515	0.2
191.10732	0.7
199.13342	0.3
201.31172	0.2
207.10251	0.2
209.11821	83.2
210.12157	5.0
211.68788	0.2
225.11238	0.4
226.11565	0.2
227.12895	10.5
228.13249	0.5
233.22734	0.2
235.08249	6.0
236.08617	0.3
253.09332	9.8
254.09726	0.7
259.20642	0.2
275.20215	0.4
277.21783	100.0
278.22134	10.2
320.26520	0.2
445.20862	0.7
513.30884	0.4
705.36017	0.3
706.36029	0.2
723.42950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	0.5
58.00478	0.5
59.01261	14.4
61.81985	0.4
62.42171	0.4
63.37119	0.3
67.67109	0.4
69.03348	0.5
71.01270	5.9
71.57313	0.6
72.99179	0.6
73.02846	1.2
78.95792	1.4
80.02576	1.1
81.03349	2.2
83.01269	0.8
83.04909	2.7
85.02844	1.5
87.00778	0.9
89.01814	0.5
89.02334	3.9
89.86901	0.4
93.03377	0.6
95.01271	0.4
97.02856	6.7
99.00773	1.6
101.02341	5.6
107.04938	1.2
109.06499	36.3
110.03639	1.3
110.06869	0.9
111.00753	0.6
111.04397	0.4
113.02354	3.2
119.03415	1.2
121.06506	2.1
123.04437	0.7
125.02394	0.5
125.09604	0.4
135.08087	4.0
136.05251	1.1
136.87796	0.4
142.02602	2.0
145.04996	0.5
145.10170	0.5
152.99568	0.7
159.02872	0.5
161.04504	1.3
161.09634	1.6
163.11234	19.9
164.11551	1.5
179.05562	0.8
179.10692	0.5
181.12292	4.6
185.75101	0.4
189.09200	3.7
207.10246	100.0
208.10582	5.9
209.11826	1.7
225.11319	40.5
226.11671	1.8
233.22806	0.5
235.08202	2.1
243.12373	1.1
249.11319	0.4
253.09323	13.0
255.23305	0.6
256.23471	0.5
277.21774	72.5
278.22110	7.2
280.83063	0.4
281.13904	0.9
299.15118	1.3
305.74191	0.4
423.32709	0.8
441.33725	1.5
443.19211	5.3
444.19891	0.5
459.07285	0.5
459.13849	0.4
461.20352	12.6
462.20630	1.2
467.31927	0.9
485.32822	0.8
540.96674	0.4
559.37073	0.4
623.30212	0.5
686.13959	0.4
703.40948	1.4
721.41785	31.6
722.42078	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	721.4187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	17.8
62.01054	0.4
69.03362	0.7
69.59835	3.1
71.01270	6.7
71.04924	0.6
72.99199	0.7
73.02847	1.0
78.95795	0.6
80.02573	0.4
81.03342	0.7
83.01254	0.5
83.04906	1.4
85.02835	1.8
87.00784	0.8
89.02334	5.3
93.03326	0.6
95.01279	1.1
95.04919	4.4
97.02856	2.6
97.06480	0.7
98.20531	0.6
99.04393	1.0
99.49640	0.4
101.02354	4.7
106.04171	0.5
108.83562	0.4
109.02861	0.5
109.06493	6.3
110.03613	2.0
111.04420	1.4
111.08079	0.4
113.02346	3.1
119.03400	0.9
119.08553	0.6
125.09621	0.7
133.06491	0.5
135.08130	0.9
143.03363	0.5
145.10138	0.9
151.07718	0.4
151.11171	0.6
152.99496	0.7
153.12753	0.9
161.04489	2.3
161.09624	1.9
163.07587	0.6
163.11229	10.1
164.11496	0.6
165.09082	0.4
169.12270	0.8
177.09155	0.5
179.05617	2.6
179.10719	2.1
181.12270	1.4
189.09149	4.6
197.11830	1.3
207.10252	27.0
208.10634	1.9
209.11798	3.3
211.23418	0.4
225.11317	100.0
226.11641	5.7
231.13829	0.5
235.08235	2.8
253.09312	8.0
254.09560	0.5
259.20557	0.5
275.20175	1.6
277.21771	40.7
278.22125	3.6
443.19272	7.7
444.19507	1.0
461.20407	24.6
462.20908	2.9
692.12762	0.5
703.40637	0.6
721.41888	12.1
722.42181	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	721.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	1.6
59.01261	11.0
60.29956	0.9
61.98719	8.3
71.01268	67.9
71.56599	1.5
72.01612	1.0
72.99194	1.4
73.02843	3.5
74.89286	0.8
75.00763	4.8
78.95792	3.6
80.02574	2.1
80.96412	2.7
81.03342	3.5
81.16402	0.9
82.96004	1.1
83.04905	7.0
84.02061	1.5
85.02849	3.6
87.00786	2.3
89.02338	4.6
95.01266	1.2
95.04935	0.9
96.48470	0.9
96.95918	3.5
97.02841	3.3
97.06493	1.6
99.00784	2.8
101.02331	5.3
109.06502	13.0
111.00738	1.1
111.48042	0.9
113.02364	3.6
115.00267	0.9
119.03402	1.5
123.08070	1.3
125.09608	4.1
127.11223	1.2
135.08083	2.4
152.99571	1.2
155.10715	1.5
161.04503	1.4
163.11226	9.5
165.12791	3.0
169.91264	1.0
171.10228	21.6
172.10661	1.0
174.58618	0.9
181.12274	6.5
183.10191	1.0
185.11797	3.0
191.10783	1.8
197.11783	3.1
199.09702	1.4
199.13403	4.1
201.11325	6.9
207.10252	31.6
208.10547	1.8
209.11806	100.0
210.12143	8.5
225.11327	33.5
226.11624	2.2
227.12869	11.9
235.08186	3.2
243.12502	3.2
253.09296	10.4
273.17145	2.8
274.17493	3.0
336.47455	0.9
365.46771	1.0
399.21979	2.9
417.22717	1.6
443.19250	1.6
461.20209	8.1
479.21387	2.0
526.89496	1.0
635.30658	2.5
653.32013	2.0
671.32648	5.3
672.33612	2.1
689.34125	5.9
721.27795	1.4
721.38690	6.8
722.36456	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
55.28673	0.4
57.03328	1.3
59.01266	8.1
61.98716	2.1
69.03326	0.6
69.16555	0.3
69.54567	2.9
71.01273	4.9
71.04906	3.2
73.02839	1.1
75.00752	0.7
78.95787	0.5
80.02575	0.8
81.03340	0.9
83.01278	1.0
83.04914	3.7
84.02044	0.5
85.02834	1.8
87.00765	1.2
89.02348	2.4
95.01283	0.7
95.04910	0.7
96.95923	1.0
97.02842	2.5
97.06490	2.5
99.00782	17.7
101.02351	4.0
109.06516	1.1
110.03656	0.4
113.02367	2.5
119.03399	1.0
123.08088	1.6
125.09642	7.5
127.11221	0.5
132.57719	0.3
134.13516	0.4
135.08070	1.0
136.05261	0.6
142.02705	0.7
153.12830	0.9
160.23392	0.3
161.04486	1.6
161.09669	0.7
161.49864	0.4
163.11230	10.9
164.11586	0.8
165.12788	1.4
170.99576	0.3
171.10223	5.6
179.05589	0.4
179.10757	0.6
181.12303	16.6
181.13914	0.9
182.12604	0.6
189.23132	0.4
191.10767	0.6
197.11800	1.3
199.13377	9.0
200.13698	0.9
207.10254	22.3
208.10585	1.5
209.11823	40.2
210.12202	2.3
225.11334	34.4
226.11700	2.3
227.12860	3.7
235.08183	0.9
241.14906	0.4
243.12416	19.5
244.12675	0.8
253.09412	1.7
262.92300	0.4
267.67776	0.4
317.15952	0.4
333.53564	0.4
445.20486	0.7
461.20273	1.8
479.21500	4.5
515.28851	0.4
591.33862	0.5
633.34888	3.3
634.35840	0.5
671.32550	2.0
677.33307	0.8
689.34009	100.0
690.34320	15.6
721.36658	6.9
722.36871	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01262	11.8
61.98714	8.2
69.03339	1.0
69.23666	1.5
69.24062	7.4
71.01267	75.4
71.04897	0.9
72.01601	0.7
73.02820	2.8
75.00748	2.2
78.95798	1.4
80.02555	1.5
80.96419	0.9
81.03349	2.4
83.01289	1.8
83.04909	6.9
84.02055	1.3
85.02865	3.6
87.00777	2.0
89.02336	3.6
95.01292	1.0
95.04879	1.8
95.76977	0.7
96.95895	2.1
97.02861	3.1
97.06480	1.2
99.00786	3.0
101.02351	6.4
107.04888	0.9
109.06495	11.3
113.02348	3.3
118.95007	0.7
119.03396	1.2
121.06519	1.8
125.02363	0.9
125.05974	0.7
125.09648	2.2
127.11189	1.4
135.08061	2.6
139.07664	0.8
139.59929	0.7
142.02654	1.5
145.46645	0.7
152.99538	0.8
161.04485	1.9
161.09676	1.7
163.11230	12.6
164.11552	0.8
165.12828	1.9
171.10204	20.3
179.05478	0.8
179.10776	1.3
181.12300	5.7
185.11821	2.3
189.09183	1.3
191.10732	1.4
197.11797	2.4
199.09735	1.4
199.13327	2.5
201.11284	9.7
207.10248	34.9
208.10556	2.6
209.11812	100.0
210.12138	7.5
213.01207	0.7
215.12878	1.3
223.13467	1.1
225.11333	29.6
226.11584	2.1
227.12912	11.0
235.08163	3.0
243.12389	3.6
253.09297	10.2
294.96249	0.8
299.14859	0.9
317.97763	0.8
399.21741	1.5
417.22876	1.7
443.19366	2.1
461.20490	6.4
479.21268	1.3
539.02917	0.7
627.33527	0.7
635.30817	2.8
653.32251	1.9
671.33063	5.2
672.33527	2.4
689.34088	3.2
690.34399	1.4
721.36841	6.6
722.37097	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	721.3668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55069	0.8
55.01770	1.0
57.03320	1.9
59.01264	13.9
61.98718	17.3
69.03322	1.4
69.29438	7.5
69.29844	1.7
70.71575	0.8
71.01271	15.9
71.04902	2.8
72.55027	0.8
72.99194	1.6
73.02825	3.1
75.00727	2.3
78.95801	5.9
80.02567	2.2
81.03332	1.5
83.01321	1.3
83.04923	7.6
85.02836	3.6
87.00776	2.5
89.02340	6.3
95.01260	1.5
95.04958	1.2
96.95923	4.4
97.02845	5.3
97.06475	2.5
99.00780	20.9
101.02335	8.3
109.06512	1.5
110.03629	1.2
113.02380	4.5
119.03456	1.7
123.08056	1.3
125.09646	6.8
127.11202	2.2
135.08104	1.7
142.02635	1.0
145.05095	0.9
152.99542	1.4
153.12885	1.1
161.04500	2.5
161.09648	1.4
163.11224	15.9
165.12772	2.2
169.12260	3.0
171.10245	5.8
181.12296	22.7
182.12567	1.2
191.10687	1.5
197.11836	5.7
198.12137	1.7
199.13396	26.5
200.13731	2.2
201.11351	0.9
207.10254	39.0
208.10594	2.0
209.11821	85.1
210.12222	7.4
225.11325	68.5
226.11653	3.6
227.12895	9.2
243.12425	17.3
244.12898	0.9
253.09340	7.4
255.23401	1.5
451.32788	0.8
461.20236	6.7
462.20105	1.4
479.21768	2.0
515.28693	3.0
521.18915	1.0
633.34302	1.6
652.62744	1.0
653.32367	3.4
671.33026	5.8
672.33679	1.8
677.32947	1.6
683.22522	1.2
689.33997	100.0
690.34381	18.6
721.36639	56.4
721.49536	2.2
722.36902	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	719.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.5
57.03331	0.3
58.00482	0.3
59.01263	3.8
61.98717	1.8
71.01264	4.1
71.04907	0.2
71.57430	0.2
72.99191	0.4
73.02838	0.8
75.00755	0.5
78.95786	1.1
79.95647	0.2
80.02557	1.1
80.96411	1.7
81.03355	1.7
83.01276	2.8
83.04916	5.0
84.02048	1.4
85.02842	1.2
87.00778	0.7
88.98705	0.4
89.02340	2.4
91.03920	0.2
93.03373	0.2
94.97968	0.3
95.04945	0.7
96.95907	1.0
96.96867	0.3
97.02847	0.6
97.06505	0.5
99.00789	0.3
101.02349	2.8
106.97966	0.2
109.06522	0.5
111.00743	0.2
111.04419	0.2
111.08054	0.3
113.02351	1.5
119.03415	0.7
123.08119	0.2
125.05975	0.4
125.09629	2.6
126.09998	0.2
127.11211	0.6
135.08092	0.8
137.80298	0.2
143.03395	0.3
147.11778	0.7
152.99585	0.4
153.09140	0.2
161.04500	1.4
163.11232	3.8
164.11569	0.3
164.98602	0.3
165.12810	2.5
166.13199	0.2
169.12247	0.6
171.10219	2.5
179.05594	0.8
179.10747	0.3
179.14328	0.2
181.12376	1.0
182.13025	0.5
185.11899	0.4
190.56145	0.2
191.10774	2.8
192.11125	0.2
197.11844	1.1
207.10236	0.7
209.11810	100.0
210.12148	6.3
211.13431	0.4
215.00671	0.2
223.09843	0.2
223.13412	0.7
225.00749	0.4
225.11320	0.4
226.12093	0.8
227.12881	10.7
228.13208	0.5
235.08235	2.6
239.12831	0.4
241.14537	1.1
243.16048	0.8
253.09323	11.8
254.09622	0.4
273.17117	83.8
274.17462	6.0
445.20663	1.5
446.21350	0.3
465.28665	2.2
483.29285	0.3
509.26062	1.8
510.25687	0.3
687.32532	0.8
719.28455	1.7
720.30096	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64333	0.5
54.36434	0.4
55.01769	0.9
57.03329	1.6
59.01258	6.4
61.98713	0.9
65.96601	0.5
69.03342	4.3
69.41763	4.9
71.01270	5.7
71.04913	2.7
72.47635	0.5
73.02839	1.1
80.02550	1.0
81.03359	1.7
83.01305	1.0
83.04914	5.6
84.02072	1.4
85.02853	1.7
87.00789	1.4
89.02331	3.2
95.04934	0.8
97.06467	1.0
99.00735	0.9
101.02351	5.3
109.02992	0.5
109.06490	0.6
113.02346	3.1
114.61694	0.5
119.03400	1.0
121.78798	0.4
123.08065	0.9
125.05970	1.0
125.09681	2.3
135.08075	0.7
151.11237	3.1
153.12732	2.3
161.04497	1.7
161.09688	3.6
163.11261	3.4
165.12756	2.3
179.05594	0.5
179.10747	7.5
180.11038	0.5
181.12405	0.5
197.11818	80.8
198.12141	5.1
209.11823	57.8
210.12178	3.4
223.09775	1.5
225.11270	0.7
227.12862	3.1
241.10840	4.5
244.82100	0.5
253.09323	4.0
299.81009	0.6
339.42834	0.6
477.19864	2.6
687.32446	100.0
688.32776	22.5
719.35083	29.9
720.35486	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	719.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41042	1.5
59.01256	16.2
61.64540	1.3
61.98713	18.7
64.93504	1.9
67.70819	1.4
68.65646	1.6
71.01268	53.7
71.57024	3.1
72.99210	4.1
73.02822	3.6
73.42543	1.3
75.00759	18.1
78.95808	5.4
81.03363	3.4
83.01293	3.2
83.04916	6.9
85.02840	5.4
85.05233	1.4
87.00758	3.0
88.98688	2.1
89.02352	7.3
93.69318	1.3
95.01308	1.7
95.04919	3.6
95.78191	1.4
96.95936	4.3
97.02853	6.0
97.06506	2.5
99.00777	4.1
101.02352	10.5
104.61750	1.5
109.02881	1.9
109.06496	19.6
110.03622	3.0
111.04442	5.9
111.08066	2.1
113.02361	7.8
119.03415	2.0
123.08101	3.1
125.06006	2.3
125.09639	6.5
135.08076	2.0
136.05257	1.7
145.04987	3.2
149.06087	1.9
151.11238	1.6
152.99593	2.5
153.09134	2.1
155.10640	1.5
159.98679	1.3
161.04550	3.2
161.09673	4.7
162.03815	1.5
163.11243	14.3
165.12759	1.8
165.92899	1.8
169.12297	3.1
171.10202	32.0
172.10608	1.4
177.09177	1.8
179.10710	7.9
181.12286	5.7
185.11829	2.9
189.09164	1.8
195.10339	1.9
197.11842	8.2
199.09779	1.7
199.13480	2.4
201.11266	3.4
205.08650	15.2
206.08856	1.7
207.10240	43.0
208.10605	4.2
209.11809	100.0
210.12236	7.8
213.11363	4.6
223.09723	32.3
223.13095	2.1
225.11310	24.1
227.12872	15.0
235.08217	3.5
253.09398	12.9
273.17099	13.1
283.02609	1.9
433.22409	2.2
459.18796	5.4
461.19983	7.8
479.21561	2.3
651.30176	6.4
652.30438	2.7
669.31226	10.3
670.31927	4.2
687.32288	10.9
688.32880	4.1
719.35443	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	719.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.8
58.00499	0.6
59.01257	11.4
61.98717	4.1
69.03342	1.1
69.37154	5.5
71.01266	8.0
72.99171	0.8
73.02834	2.1
74.70425	0.6
75.00757	1.3
78.95786	0.7
80.02557	2.0
81.03352	2.5
83.01272	1.3
83.04916	8.8
84.02051	1.3
85.02847	3.6
87.00756	2.1
87.01300	0.5
88.98695	1.0
89.02338	5.1
94.63586	0.5
95.04932	1.5
96.95906	4.6
97.02840	1.0
97.06470	1.0
99.00789	0.6
101.02345	6.2
109.06479	0.8
111.41915	0.7
113.02360	3.7
119.03428	1.5
125.02306	0.7
125.06012	1.4
125.09661	1.2
127.11196	0.6
135.04512	0.8
135.08084	1.6
151.11201	2.0
153.12799	1.4
161.04512	2.9
163.11252	6.3
163.92299	0.6
165.12817	3.3
169.12288	53.9
170.12624	2.3
171.10097	1.0
174.01605	0.7
179.05554	0.9
179.10753	1.2
181.12335	1.3
185.11877	0.8
191.10724	1.5
197.11801	60.2
198.12190	4.0
198.13850	0.8
207.10240	0.7
209.11806	100.0
210.12128	6.5
213.11346	1.9
223.09811	0.7
225.11264	0.8
227.12869	9.4
235.08237	1.3
253.09288	8.0
273.17044	2.9
327.95361	0.7
433.20764	1.2
470.03842	0.6
549.90363	0.6
687.20197	1.0
687.32434	51.8
688.32672	9.5
719.35059	94.3
720.35419	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	719.3513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01787	1.1
55.65139	0.5
58.00502	0.7
59.01266	14.1
61.98711	2.9
67.24340	0.5
69.03339	1.4
71.01266	10.4
72.99183	1.0
73.02841	2.9
75.00776	1.3
78.95807	1.0
80.02566	1.9
81.03351	2.5
83.01269	1.1
83.04913	8.6
84.02069	1.9
85.02840	3.7
87.00765	2.4
89.02332	5.6
95.04914	1.2
96.95919	1.8
97.02872	0.9
97.06526	0.9
98.19755	1.1
99.00797	1.0
101.02343	7.6
109.06527	0.7
111.04423	1.2
113.02359	4.5
119.03430	2.0
125.06054	1.2
125.09636	1.6
135.08109	1.0
143.03481	0.8
151.11264	1.9
152.99559	0.7
153.09105	0.8
153.12775	1.9
161.02397	0.6
161.04462	2.8
163.11232	6.5
165.12839	3.2
167.10739	1.1
169.12294	36.0
170.12624	2.0
171.10175	2.8
179.05611	1.0
179.10701	1.3
181.12285	1.4
185.11816	1.6
191.10745	1.7
195.10231	0.8
197.11809	67.4
198.12146	3.8
199.13237	0.6
207.10193	0.8
209.11813	100.0
210.12151	6.8
213.11301	2.4
223.09805	1.5
225.11336	0.8
227.12868	8.2
235.08128	1.5
241.10762	1.1
253.09267	5.7
284.03433	0.8
297.77231	0.6
433.20901	0.9
445.20685	0.7
513.27118	4.6
675.32178	0.7
687.32477	63.7
688.32910	15.3
719.35065	74.0
720.35425	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	716.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.0
61.98719	100.0
62.98420	0.2
67.25191	0.2
71.01274	0.5
71.54595	0.2
75.00775	0.6
78.95815	0.3
87.00783	0.3
89.02361	0.5
94.58334	0.2
101.02338	0.2
118.26183	0.2
119.03447	0.3
125.02444	0.2
131.11412	0.2
152.19875	0.2
171.10271	0.2
209.11876	0.4
231.06868	0.2
232.62730	0.2
255.23442	0.5
256.23810	0.7
257.24072	0.3
398.14163	0.7
398.98965	0.2
399.14087	1.1
400.14789	0.7
410.91730	0.2
672.98798	0.2
715.54602	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	716.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
57.38370	0.1
59.01269	0.4
60.18160	0.2
61.98716	100.0
62.98441	0.2
66.94424	0.1
71.01279	0.2
71.56378	0.2
75.00761	0.2
78.95825	0.3
80.96410	0.2
85.02848	0.1
90.82040	0.2
97.06494	0.2
109.06516	0.2
117.03426	0.4
119.04951	0.9
125.09677	0.4
126.10020	0.1
131.95961	0.1
134.03679	0.2
138.10014	0.2
145.02892	0.7
163.03937	0.7
171.10246	0.4
193.05099	0.2
207.10327	0.4
209.11757	1.0
210.12270	0.3
211.13371	0.8
212.13843	0.3
225.11374	0.4
235.08853	0.2
255.23305	0.2
274.98343	0.2
360.42511	0.2
388.04880	0.2
638.33624	0.2
653.24030	1.7
654.25055	0.4
656.33899	0.2
715.39520	0.3
716.39331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.3
59.01257	2.1
61.98701	0.7
71.01263	1.9
73.02831	0.6
80.02574	0.4
81.03327	0.5
83.04909	1.1
85.02844	0.9
87.00793	0.4
89.02341	1.3
97.92563	0.3
101.02307	1.9
103.81560	0.3
108.02026	0.4
109.06477	0.3
111.47849	0.3
113.02359	0.9
119.04926	0.5
125.09670	0.5
133.02888	0.5
134.03680	4.0
135.04416	1.0
145.04976	0.4
146.03685	0.6
149.06042	1.0
160.01608	0.8
161.02327	0.4
161.04538	0.7
161.05983	0.4
163.11205	1.6
165.12804	0.8
169.65515	0.3
171.10252	0.7
175.03932	1.3
178.02618	0.9
179.03432	0.5
187.09653	0.4
191.10753	0.6
193.05013	4.6
207.10222	0.4
209.11813	100.0
210.12152	7.4
227.12883	6.0
235.08246	4.3
253.09337	4.4
254.09790	0.4
357.13345	0.4
427.19894	0.3
445.20862	3.1
446.21310	0.5
500.39261	0.3
503.17075	3.5
504.17590	0.9
521.17950	0.5
650.23285	0.3
664.38202	0.4
715.39001	0.6
716.38293	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41374	0.3
59.01260	2.7
61.98716	20.5
71.01273	1.9
71.55949	0.5
72.99182	0.4
75.00761	0.5
78.14505	0.3
78.95811	0.7
80.02570	0.6
81.03328	0.6
83.04917	2.8
85.02843	0.6
89.02331	1.2
93.69904	0.3
95.04871	0.4
101.02341	1.2
102.33839	0.3
103.32188	0.3
109.06499	0.8
113.02337	0.9
114.39154	0.3
114.40484	0.3
125.09673	0.9
134.94908	0.3
135.08081	0.6
157.43124	0.3
161.04478	0.6
163.11256	2.1
165.12773	1.4
171.10229	1.3
179.05565	0.6
181.12276	0.4
187.09744	0.3
193.05013	0.4
207.10202	1.4
209.11813	100.0
210.12167	6.6
211.13351	2.1
227.10764	0.6
227.12878	7.2
235.08224	1.0
253.09280	4.2
254.09671	0.3
445.20853	2.4
479.29898	0.4
618.47333	0.4
637.32654	1.1
653.24249	0.4
715.39349	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4754
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
53.51935	0.2
59.01248	0.2
61.38683	0.1
71.01258	0.4
71.65149	0.2
75.00745	0.2
83.04917	0.5
108.02048	0.3
112.02813	0.2
152.01086	0.5
225.16142	0.3
257.45215	0.2
341.78659	0.2
343.06519	0.2
451.33203	0.3
538.00653	0.2
677.49872	2.8
678.50336	0.6
713.47485	100.0
714.47778	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	713.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66074	0.4
55.01765	1.0
55.12578	0.4
57.03330	1.4
58.00462	1.9
59.01264	31.3
61.98714	4.8
69.03337	2.0
69.56162	0.4
70.55054	1.6
71.01269	29.4
72.99198	2.4
72.99564	0.6
73.02831	4.4
75.00748	1.2
78.95821	0.6
81.03338	1.3
83.01273	4.0
85.02846	6.5
87.00774	5.4
89.02335	25.5
91.03885	0.7
91.37371	0.4
91.50122	0.4
91.58035	0.4
95.01300	2.4
97.02850	4.9
99.00786	2.0
101.02344	23.8
111.00788	0.7
111.04398	0.9
113.02361	11.1
115.03867	0.5
116.92684	0.5
119.03414	6.9
121.02837	0.5
124.01533	0.5
125.02366	8.6
125.09602	0.5
131.03426	0.9
133.04964	0.9
139.03912	0.9
143.03462	3.4
161.04510	4.9
167.03452	0.7
169.04916	0.7
170.43129	0.4
171.10185	0.8
179.05579	4.0
199.06044	0.5
200.04787	0.4
201.11351	1.1
208.78319	0.4
212.15326	0.4
217.07175	0.5
221.06648	1.8
233.26170	0.4
235.08224	10.6
236.08597	0.4
245.06723	0.7
251.32344	0.4
253.09415	2.0
255.23320	73.7
256.23636	6.9
263.07867	0.9
287.07709	3.1
293.21194	0.7
305.08807	4.4
323.09912	1.7
397.13580	100.0
398.13879	7.9
415.14664	28.9
416.14948	2.9
559.62311	0.5
653.37677	5.8
654.38477	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	713.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01335	0.7
55.01752	1.0
55.80280	0.7
57.03331	0.7
58.00478	1.0
59.01262	29.8
61.98713	2.4
69.03327	1.3
71.01268	24.5
72.99191	2.0
73.02837	4.6
75.00749	1.5
83.01281	3.3
85.02840	6.3
87.00777	6.6
89.02336	25.8
91.03919	0.7
95.01272	1.6
97.02844	4.7
98.19785	2.5
99.00784	1.5
101.02345	20.6
102.02679	1.0
113.02354	10.0
115.03883	0.8
116.92740	1.2
119.03405	7.4
125.02360	8.6
132.60910	0.7
133.04976	1.0
135.62860	0.9
143.03427	3.1
161.04477	4.2
167.03450	1.0
171.10205	0.7
179.05583	3.5
185.04501	0.9
197.34248	1.0
217.07172	1.1
221.06624	1.9
224.09601	0.8
235.08240	10.7
253.09395	1.4
255.23325	73.1
256.23700	6.4
263.07806	1.1
287.07761	2.9
305.08780	3.4
397.13574	100.0
398.13913	9.1
415.14651	29.1
415.19962	1.7
416.15045	2.2
653.37366	6.2
654.38116	1.3
744.17023	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	713.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.3
59.01262	30.8
61.98715	7.3
66.31708	1.6
69.03345	9.1
71.01266	14.5
71.04916	3.0
73.26472	1.6
75.00757	4.9
81.03362	3.4
81.19011	1.8
83.04893	4.4
85.02850	6.6
87.00768	4.2
89.02343	10.1
95.04904	2.0
96.35271	1.9
96.95917	2.2
97.02850	9.5
97.06512	2.0
99.00793	3.7
101.02340	11.0
107.04922	1.8
109.06494	32.0
111.08045	2.2
113.02345	7.3
119.03467	2.7
125.09601	3.5
135.08066	4.6
142.02644	3.7
145.05019	2.1
147.95708	1.7
153.09061	3.6
161.04559	3.7
161.09654	2.3
163.11217	18.4
165.09174	3.1
165.12772	7.6
171.10208	9.2
179.10805	2.1
181.12318	12.3
185.11813	3.9
189.09198	2.1
191.10724	15.9
207.10245	73.1
208.10573	3.8
208.50951	2.1
209.11818	100.0
210.12135	6.0
211.43378	2.1
225.11317	36.7
226.11662	3.0
228.79735	1.8
229.16548	1.8
231.10181	2.0
235.08221	7.5
253.09300	12.0
279.23520	1.9
302.14230	2.1
305.17654	3.3
345.14374	2.1
373.20135	2.3
381.20682	10.1
389.23398	3.3
399.21808	22.7
400.22238	2.4
403.49139	1.7
417.23007	9.9
443.19174	5.9
445.20834	12.4
461.20218	9.7
607.31366	4.1
617.29999	7.7
635.20490	3.5
635.30817	56.6
636.31042	8.5
653.31885	50.6
653.41223	1.5
654.32355	9.5
713.35779	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	713.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.5
58.00478	0.8
59.01268	6.4
63.31898	0.7
71.01270	8.4
71.56193	0.8
72.99208	5.6
73.02840	2.4
75.00762	11.2
83.01259	1.5
83.04895	1.4
83.57527	0.5
85.02839	4.3
87.00804	0.7
89.02345	2.2
93.03365	0.6
93.64780	0.6
95.01292	2.4
95.09203	0.9
96.95898	6.7
99.00781	3.1
101.02338	3.1
107.04829	0.6
108.02076	54.7
109.02287	0.8
109.02891	13.1
109.06437	0.6
113.02354	3.3
119.03376	0.7
121.02860	0.9
123.00777	1.6
123.04414	1.0
125.02331	0.8
134.03633	1.0
135.04427	1.3
147.04521	0.8
148.12372	0.6
151.03941	2.8
152.01091	100.0
153.01866	5.7
159.02892	0.7
161.04472	2.6
161.09641	1.8
163.03940	5.2
163.11252	1.3
175.11264	0.8
177.01845	1.7
179.03407	1.0
189.09171	0.8
193.05136	0.8
207.03053	0.7
209.87212	0.6
239.12885	2.6
265.10855	1.1
271.08350	1.8
284.03638	0.7
315.07349	2.2
403.12796	0.8
429.10474	6.2
447.05246	1.5
447.11502	31.5
448.11859	3.3
449.03799	0.6
518.51984	0.6
610.67303	0.6
637.21588	2.0
651.22607	0.9
669.24066	8.4
670.23798	1.4
713.23175	97.0
714.23511	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70522	0.5
52.10238	0.6
57.03330	2.0
59.01261	5.8
61.98698	0.5
69.03314	0.9
71.01268	6.4
71.56973	0.6
71.57443	1.0
71.86607	0.6
72.99197	6.3
73.02836	2.1
74.02317	0.6
75.00763	13.6
78.95808	0.7
83.01250	0.7
83.04922	1.2
85.02830	4.6
87.00775	0.8
87.04381	0.6
89.02343	2.1
95.01286	1.6
96.95908	1.5
99.00771	2.2
101.02332	3.1
108.02076	51.5
109.02879	13.2
113.02349	4.0
113.81054	0.7
121.02869	1.5
122.03655	0.7
123.00783	1.7
123.04443	1.3
133.02821	0.8
134.03653	1.3
135.04408	1.3
137.02345	0.9
139.03972	0.8
149.06042	1.1
151.03969	2.4
152.01086	100.0
153.01770	7.2
161.04503	2.2
161.09637	1.7
162.06807	0.6
163.03955	5.7
163.11235	1.1
164.36978	0.7
167.95181	0.6
177.01839	1.0
189.09047	1.2
207.02974	0.9
207.10236	1.4
221.11818	1.7
239.12892	2.0
243.12477	0.9
265.10706	1.8
271.08322	1.5
278.29767	0.7
283.11798	1.3
285.04083	2.3
303.16101	1.1
315.07233	2.2
347.84515	0.6
348.18869	0.6
367.97250	0.6
405.22586	0.6
429.10535	4.9
430.10635	1.0
447.11569	26.3
448.11841	3.4
507.22113	2.0
637.21790	2.3
651.23273	1.1
669.23938	9.5
669.33807	1.0
670.24017	1.8
713.23071	97.4
713.48187	2.2
714.23340	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.4
59.01265	9.0
61.98703	1.2
71.01261	7.8
71.27549	1.6
71.57584	0.8
73.02819	2.0
77.12839	0.7
78.89990	0.8
78.95790	3.9
80.96401	4.1
85.02848	1.2
89.02357	4.1
95.04876	1.2
97.06469	4.5
99.34305	0.9
101.02340	5.4
113.02321	1.7
119.03409	1.2
141.77327	0.9
151.11214	13.2
152.11546	1.2
152.99510	3.9
161.04550	1.6
161.30168	0.9
169.12289	100.0
170.12642	5.4
171.10193	1.4
192.59081	0.9
195.10182	2.1
207.10245	0.9
213.11304	12.4
235.08186	1.2
253.09320	3.7
255.23314	3.6
277.18948	1.6
277.21780	23.6
278.22015	2.3
279.23279	2.7
293.47952	0.9
431.19250	3.1
449.20303	6.2
473.16812	0.9
616.87799	1.0
673.11987	1.0
691.38220	1.1
709.41718	97.7
710.42035	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	709.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65456	0.8
59.01262	8.6
61.98702	3.3
71.01270	4.8
71.59373	2.0
72.99190	3.7
73.02829	1.2
75.00773	2.7
78.95785	2.4
80.96394	1.4
83.04921	3.7
85.02836	1.3
88.98692	2.4
89.02339	3.5
94.01218	0.8
96.95908	1.4
101.02342	3.2
109.06499	1.5
112.02534	1.0
113.02358	2.0
125.02402	2.5
139.66620	0.8
163.11255	3.3
165.12813	1.1
171.10219	36.5
172.10609	1.9
179.05574	1.3
207.10303	4.2
207.89729	0.9
209.11809	100.0
210.12154	7.0
225.11284	2.6
225.26785	0.8
227.12892	22.6
228.13210	1.2
235.08232	4.1
253.09270	7.6
284.78134	0.8
301.00073	0.9
407.19086	2.0
445.20880	7.9
446.21243	1.1
461.20551	1.1
463.21655	1.4
528.68921	0.9
581.20428	0.9
637.32373	2.9
649.38763	1.0
653.31427	2.2
655.33386	2.4
665.35272	3.3
671.32690	2.3
673.34546	1.5
709.31799	23.3
710.32465	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	707.3512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.9
57.03323	2.3
58.00489	1.1
59.01262	20.7
61.98710	6.6
69.03320	2.0
71.01268	50.8
71.04901	0.8
72.01626	1.3
72.99177	1.5
73.02834	4.7
75.00753	5.2
78.95778	1.7
80.02562	1.8
80.97501	0.7
81.03340	1.9
83.01268	1.6
83.04906	7.3
84.02083	1.2
85.02845	4.3
87.00769	4.4
89.02341	12.2
91.54057	0.7
92.06423	0.7
95.04897	1.5
96.95895	2.8
97.02845	4.7
97.06448	1.2
99.00779	3.4
100.01054	0.7
101.02343	9.7
109.06494	4.3
113.02378	5.1
113.03045	0.8
119.03409	2.3
122.05996	0.9
123.08037	2.0
125.02348	1.9
125.05962	1.0
125.09634	3.8
127.11176	2.7
135.08061	1.8
137.09639	2.7
139.11185	1.3
143.03476	1.4
155.10721	1.2
161.02396	0.8
161.04483	2.5
161.09695	0.8
163.11230	7.7
165.09215	0.9
165.12785	2.6
167.10657	1.5
171.10222	47.7
172.10550	2.6
179.05548	1.7
181.12317	2.4
183.10283	1.0
185.11781	24.6
187.09805	0.9
191.10712	0.8
197.11829	2.2
199.09718	5.9
199.13373	1.9
201.11290	24.4
202.11603	1.8
207.10233	14.6
208.10512	1.3
209.11813	100.0
210.12155	7.3
213.11230	0.8
225.11319	17.9
226.11674	1.7
227.12894	13.2
228.13202	1.2
235.08095	4.3
243.12350	0.9
253.09308	12.4
273.18900	0.8
285.04022	1.0
291.19638	2.6
292.20319	0.9
309.20740	19.3
310.21109	2.1
397.13589	5.1
399.21536	0.8
415.14676	4.5
461.20273	3.9
509.27261	0.9
609.29938	1.2
635.31323	1.3
647.38489	0.8
653.32135	2.6
663.36523	6.3
664.38745	0.9
671.32733	2.5
675.32385	28.9
676.33002	5.3
689.34052	2.7
690.34277	1.2
707.34906	13.8
708.35840	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31487	0.4
56.04438	0.4
57.51543	0.4
59.01263	7.4
61.98713	1.7
63.02292	1.2
65.00221	1.2
70.69958	0.8
71.16749	0.4
73.99625	0.4
78.95805	1.5
83.01275	1.0
94.61939	0.4
107.01305	2.4
109.02896	0.6
116.92759	2.0
133.02887	5.0
134.03680	1.1
149.02332	1.1
149.99614	0.5
151.00313	6.4
152.99533	0.8
168.29340	0.4
175.03972	2.0
185.06062	0.9
185.18878	0.5
187.04002	0.5
198.03215	0.5
199.03989	3.0
200.04749	0.5
201.01906	1.0
211.04025	0.7
211.13362	0.9
217.05086	1.3
227.03520	1.8
235.77971	0.4
239.03590	1.0
241.05186	1.3
243.03064	0.8
255.03023	1.2
256.03766	4.4
267.02966	0.5
277.21765	2.0
278.22104	0.8
279.23233	0.8
283.02588	0.9
284.03320	58.1
285.04089	100.0
286.04428	8.3
297.03943	0.5
327.04993	0.8
336.42209	0.5
336.46152	0.5
340.65106	0.5
342.54742	0.5
471.16388	0.6
472.16025	0.5
561.17377	0.5
651.04742	0.5
696.31744	0.5
707.30841	68.8
708.31195	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	706.3311
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09262	0.1
57.03335	0.1
59.01262	0.8
61.98715	100.0
62.98405	0.2
71.01280	0.7
71.56344	0.2
71.56708	0.1
75.00741	0.3
78.95815	0.4
83.04910	0.2
85.02845	0.3
88.98714	0.3
89.02332	0.3
91.97660	0.2
96.95907	0.4
97.02849	0.2
99.00777	0.2
101.02352	0.4
105.35934	0.1
109.06537	0.2
113.02371	0.2
119.03485	0.2
120.30649	0.2
132.76501	0.1
161.04547	0.1
163.11327	0.2
169.12323	0.3
171.10252	0.6
183.13860	1.0
184.14308	0.6
187.77077	0.1
197.11795	0.8
198.12163	0.2
199.12297	0.2
201.11339	0.2
207.10269	0.5
209.11813	2.0
209.13539	0.2
210.12102	0.9
225.11423	0.4
227.12901	0.4
228.13400	0.2
253.09364	0.2
267.85202	0.2
284.03271	0.2
285.04105	0.1
443.19443	0.2
673.34485	0.2
674.34747	1.5
675.34998	0.3
707.36707	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	705.3717
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00487	0.3
59.01259	3.5
71.01269	2.3
71.04910	0.2
73.02818	0.6
75.00744	0.4
79.99028	0.2
80.02560	1.3
81.03338	1.3
83.01261	0.5
83.04913	5.3
84.02041	1.0
84.05212	0.2
85.02843	0.5
87.00767	0.6
88.75166	0.2
89.02336	1.6
90.03329	0.2
95.04910	0.8
96.95901	0.2
98.19774	0.5
101.02349	1.6
109.06522	0.5
113.02348	1.2
119.03394	0.6
123.08059	0.2
125.05967	0.6
125.09605	0.3
135.08054	0.6
139.21471	0.2
143.03368	0.3
145.04950	0.2
146.55122	0.2
147.11760	0.3
161.04457	0.6
163.11218	4.3
165.12784	2.4
169.12285	0.2
171.10228	1.0
179.05499	0.3
181.12282	0.7
181.66377	0.2
191.10742	1.2
197.11778	0.3
199.13542	0.3
201.11298	0.3
207.10258	0.5
209.11809	100.0
210.12152	7.2
225.11369	0.7
227.12891	12.6
228.13214	0.9
235.08240	2.0
253.09306	5.1
254.09692	0.3
268.02191	0.2
307.19287	0.3
334.25900	0.2
370.19724	0.2
417.15454	0.2
445.20950	1.7
563.18585	0.3
637.32623	0.4
687.32617	0.4
705.33862	0.3
732.50427	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70691	0.9
55.01755	1.3
57.03322	3.1
59.01262	21.0
60.01590	1.0
61.98697	4.6
69.03339	6.1
71.01265	20.6
71.04904	3.3
71.57761	1.7
72.99182	3.3
73.02834	4.8
75.00764	7.4
78.95770	2.4
80.07782	1.0
81.03317	1.8
83.01283	1.1
83.04912	6.4
84.02074	1.4
85.02845	5.9
87.00777	6.2
89.02330	8.6
95.01292	2.0
95.04907	2.9
96.95911	9.1
97.02837	1.6
97.06486	2.2
97.24676	0.9
99.00743	3.1
99.04350	1.6
101.02345	13.8
109.02866	1.7
109.06483	3.9
111.00716	1.5
111.08047	0.9
113.02362	7.9
118.22174	1.0
119.03400	2.0
121.06465	1.6
123.08058	4.2
125.02300	1.3
125.06031	1.3
125.09627	8.4
127.03844	1.2
127.11196	4.5
130.53848	1.1
135.04341	1.9
137.09668	1.8
138.30672	1.0
143.03438	1.3
143.86618	1.0
145.02858	3.4
151.07544	1.9
151.11198	4.2
153.12852	2.6
155.10721	1.7
161.02377	1.6
161.04552	4.7
161.09666	6.0
163.11227	6.7
165.09106	1.9
165.12735	3.1
169.12216	0.9
171.10239	9.3
175.02435	2.0
179.05649	0.9
179.10728	11.3
181.12289	2.1
185.11745	2.7
197.11803	100.0
198.12154	5.6
199.09741	2.1
199.13354	1.2
201.11284	43.6
202.11578	2.1
205.08621	1.1
207.10228	7.0
209.11812	67.9
210.12128	4.4
215.12881	1.1
223.09695	2.4
225.11391	7.2
227.12903	7.8
235.08147	2.7
241.10837	6.1
243.12352	2.2
253.09242	7.5
256.23645	1.1
285.04095	1.7
307.19250	1.8
459.18365	1.4
477.19705	2.4
507.20343	2.4
608.14502	1.1
609.94708	1.1
619.34229	1.3
627.37823	1.0
661.30182	20.6
662.31171	3.7
687.32428	68.9
688.32892	12.9
705.33484	75.8
706.33881	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	705.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01588	0.6
59.01262	5.0
61.98717	100.0
62.19528	0.5
62.98421	0.7
63.99140	1.4
69.66821	3.5
71.01278	5.6
73.02854	0.9
75.00781	0.8
78.45465	0.6
78.95798	5.7
83.04951	0.9
87.00800	0.9
96.95885	0.9
96.96909	0.8
97.02825	0.7
101.02392	1.0
106.00102	0.6
109.06517	1.6
110.98451	0.9
113.02329	1.2
119.03493	0.7
133.02866	0.8
152.99565	2.0
161.02391	1.9
163.11284	1.5
169.12280	1.8
171.10268	2.2
179.03436	0.7
181.12450	0.7
185.11795	0.7
195.14037	0.9
197.11823	8.1
199.13261	0.6
201.11354	0.8
207.10315	2.6
209.11818	13.8
210.12259	0.8
211.13341	0.9
213.42818	0.6
223.09747	0.6
223.13409	10.3
224.13843	0.8
225.11264	3.5
227.12932	3.8
235.08275	1.2
253.09418	1.9
277.21796	11.3
421.57813	0.7
459.22562	3.1
523.20898	0.7
557.34198	0.7
617.35999	2.3
618.36127	1.1
651.34070	0.9
669.23553	3.0
670.24860	0.8
673.34357	1.0
687.32391	0.9
705.34082	8.3
705.45856	1.7
706.34308	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	704.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.7
57.03335	2.7
58.00459	0.9
59.01263	45.2
60.01620	0.5
61.98700	1.0
62.13986	0.5
69.03349	0.6
70.32845	1.6
71.01269	18.6
71.04898	0.7
72.01575	0.6
72.18492	0.4
72.99198	1.9
73.02831	3.6
75.00758	1.6
78.95797	0.7
83.01270	2.9
83.04897	0.5
85.02843	6.0
87.00768	6.5
89.02332	12.7
95.01289	1.9
96.08110	0.6
96.95910	5.0
97.02808	0.6
99.00784	1.8
101.01703	0.8
101.02342	12.6
108.83923	0.4
111.00809	0.6
111.08068	0.6
113.02361	8.1
113.05983	0.7
116.92754	1.1
119.03420	4.6
125.02349	1.1
125.09631	1.1
128.03442	0.4
143.10686	0.6
151.00308	0.6
151.90474	0.4
153.12726	0.5
161.04480	1.1
163.11229	0.7
169.12334	2.8
171.08952	0.4
171.10132	2.4
174.11252	1.0
175.02499	0.4
179.05592	1.0
181.12343	0.7
183.13878	9.2
184.14220	0.6
193.15881	0.5
197.11842	3.8
199.13347	1.5
201.11290	3.8
207.10306	0.5
209.11829	3.6
210.14989	0.7
222.15065	0.7
224.16539	1.9
224.78467	0.4
225.11292	1.6
226.18100	3.9
227.12904	2.0
242.17699	3.2
245.13995	0.7
248.51295	0.4
253.09352	1.1
269.14102	0.4
270.17255	1.0
279.19623	1.3
283.02515	0.5
284.03357	0.6
285.03906	1.1
288.18188	1.8
297.20850	0.5
432.22470	1.6
450.23535	5.9
450.71451	0.5
451.23724	0.6
496.17319	0.6
504.28107	1.6
528.19556	1.3
554.73059	0.4
600.33942	9.7
601.34094	1.4
618.35004	13.1
619.35327	2.0
660.36108	100.0
661.36609	16.9
687.32623	2.2
704.29431	3.4
705.33459	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	703.356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21819	0.4
55.01757	0.5
56.69357	0.4
57.03318	0.6
59.01264	10.2
69.03326	0.5
70.05680	1.3
71.01260	5.9
73.02822	1.2
75.00742	0.7
80.02554	1.7
81.03341	3.6
83.01248	1.3
83.04915	8.1
84.02061	1.8
85.02393	0.4
85.02849	1.8
87.00770	1.1
89.02334	4.0
90.02695	0.4
93.03340	0.7
95.01255	0.5
95.04912	1.6
97.02854	5.3
97.06467	0.4
99.00763	1.1
101.02336	5.4
106.04201	0.4
107.04939	1.0
109.06499	25.2
110.03632	1.0
110.06856	0.7
113.02366	2.5
119.03394	1.0
121.06490	1.4
123.08080	0.5
125.05967	0.7
125.09669	2.0
135.08093	3.8
136.05182	0.7
140.90970	0.4
142.02640	1.3
145.04982	0.7
145.10204	0.4
161.04510	1.8
161.09685	1.7
163.11241	18.7
164.11528	0.9
165.09065	0.4
165.12794	2.2
171.10219	1.0
179.05547	1.0
181.12315	4.0
185.11847	2.1
189.09155	2.2
191.10745	1.4
197.11818	3.1
201.11238	0.4
207.10251	62.0
208.10593	4.3
209.11815	100.0
210.12166	7.2
221.11736	0.9
225.11319	28.3
226.11630	2.3
227.12886	16.3
228.13181	1.2
231.10338	1.1
235.08263	3.4
235.13528	0.5
245.11792	0.5
247.13461	0.8
249.11392	0.9
253.09320	11.3
254.09769	0.5
263.13071	0.5
265.14502	0.9
299.15204	0.7
355.22842	0.7
373.23984	0.9
389.23303	0.5
399.21884	6.4
400.22540	0.7
405.17648	0.7
417.22916	5.7
418.23224	0.6
435.23923	0.9
436.77905	0.5
443.19211	3.5
444.19461	0.5
444.43549	0.4
445.21060	1.6
461.20404	9.3
462.20844	1.1
609.29150	0.8
625.32190	0.8
627.30847	0.7
635.21777	0.3
635.30841	17.6
636.31415	3.6
653.31927	16.0
654.32660	3.3
671.32977	28.0
672.33429	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	703.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.5
59.01262	4.1
69.03342	0.4
70.84380	0.4
70.84758	0.4
71.01268	20.3
72.01595	0.2
72.99181	0.5
73.02834	1.3
75.00771	0.3
79.95158	0.1
79.95615	5.7
80.96407	18.2
83.01266	0.4
85.02839	5.9
87.00762	3.4
89.02317	0.2
90.18941	0.2
95.00745	0.2
95.01267	1.3
96.95906	14.4
101.02339	0.3
102.17268	0.2
103.00267	3.0
110.97620	0.2
113.02351	9.4
114.02732	0.2
115.00282	16.0
116.00590	0.2
122.97494	0.8
129.01871	0.4
131.03372	0.3
138.97000	4.0
150.97020	0.3
157.01335	2.0
166.96515	2.5
174.97047	0.5
175.02432	23.9
176.02747	0.8
192.98077	5.2
210.99170	0.9
223.50653	0.2
236.97130	0.8
254.98186	100.0
255.98521	3.6
285.04086	2.0
326.69391	0.2
401.68570	0.2
447.09528	0.7
548.30737	0.2
591.58569	0.2
703.08191	1.1
704.08612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36378	1.2
59.01267	15.5
61.98710	4.2
69.03342	1.1
70.72137	2.6
71.01269	7.0
72.99177	1.4
73.02843	2.2
73.17039	1.1
74.91430	0.9
75.00760	3.4
78.95770	2.7
80.02581	1.2
81.03365	1.5
83.01233	1.4
83.04929	1.5
85.02848	2.6
87.00764	2.1
88.98714	3.0
89.02340	3.5
93.03347	1.0
97.02852	2.5
97.06490	1.1
99.00793	1.5
101.02357	7.0
103.20230	1.1
109.06501	20.4
113.02351	2.5
121.06506	1.3
125.09631	1.1
126.13696	1.1
135.04346	1.1
135.08102	1.9
136.05203	1.5
142.02650	1.3
144.64452	1.0
161.04497	2.4
163.11230	9.5
169.12299	7.8
171.10222	2.0
179.05655	1.2
179.10774	1.8
181.12263	2.1
189.09425	1.2
189.80144	1.2
191.10780	1.3
197.11806	100.0
198.12119	5.4
207.10243	50.1
208.10577	3.9
209.11806	16.4
211.13380	1.8
223.13463	5.2
225.11314	23.8
226.11659	1.5
227.12854	2.1
230.50975	1.2
235.08183	5.3
253.09348	9.8
255.23215	3.4
295.22818	4.4
325.21820	1.5
359.22308	1.8
369.20822	4.4
377.23294	1.6
377.79758	1.3
387.21884	9.8
388.22348	1.3
405.22986	4.0
433.20694	4.5
443.19504	2.9
459.22415	1.3
461.20380	6.3
595.31287	4.3
605.29596	2.5
623.30847	33.6
624.30908	6.2
641.31891	33.4
642.31976	5.8
693.10504	1.2
701.46881	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	698.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.5
57.18096	0.4
59.01257	2.2
61.98717	4.5
65.64531	0.4
68.71136	0.4
69.00826	1.7
70.63784	1.3
71.01279	1.0
71.02393	10.1
72.00795	2.3
73.03947	0.5
74.02361	1.8
75.00755	1.7
78.95777	1.7
82.01601	1.4
82.06498	0.8
83.01323	0.4
83.02397	0.4
85.02822	0.5
85.03968	1.1
87.00734	0.6
89.02339	0.7
91.05437	1.2
93.03323	2.3
95.02373	0.4
96.95888	0.8
97.00355	1.9
97.03976	3.0
98.01115	4.1
99.00790	0.5
99.01932	1.0
107.04906	0.6
108.02082	0.7
111.01923	3.4
112.02707	1.0
112.07597	1.2
113.02345	0.9
116.04975	7.0
118.06543	5.0
119.04935	4.5
119.14967	0.4
129.10251	18.7
130.08640	0.9
130.10571	0.8
131.03719	0.9
132.04498	0.6
133.02870	0.4
133.05252	1.1
134.06041	2.4
136.07597	0.5
139.08687	1.3
141.03471	0.4
144.04477	2.5
145.05299	0.4
146.06062	7.6
147.03194	2.6
147.04344	0.7
152.01096	0.8
152.99568	2.0
155.08238	0.5
156.06863	0.5
157.05334	1.9
158.02399	0.6
158.06067	0.8
160.03992	0.6
160.07634	1.5
161.04671	0.7
161.07170	2.5
162.05548	2.2
163.03918	5.0
163.08696	1.8
164.07118	1.3
171.05579	0.7
172.03981	1.4
172.06313	0.9
172.07645	0.9
173.07184	2.4
174.01654	1.1
174.05605	0.7
175.08830	0.4
180.06624	14.6
181.06863	0.4
186.05553	0.6
187.05058	3.8
189.06673	19.7
189.10242	2.8
190.06963	1.1
191.08224	4.6
195.08180	2.2
195.14960	0.9
197.16513	1.1
200.03523	0.8
200.05878	0.6
201.06720	0.8
202.05042	0.9
203.08221	1.0
209.09792	0.8
209.11768	0.7
216.07715	0.8
221.09676	5.9
223.07594	0.6
224.17676	0.7
225.16100	1.8
226.06218	0.5
229.06114	1.4
231.15363	0.4
231.49896	0.4
234.09329	0.4
236.10786	4.2
237.09169	1.0
237.11249	0.5
238.08835	2.7
240.07808	0.5
241.13509	2.6
242.18713	5.8
243.16949	0.4
243.19148	0.5
246.09242	0.9
247.07300	0.4
247.12358	4.0
250.08592	0.4
252.09988	0.4
255.02995	0.7
255.23404	1.1
256.03400	0.6
256.14557	2.1
257.10684	0.5
259.09985	0.6
260.10825	0.5
260.60483	0.4
262.08755	0.8
263.09515	0.6
264.10406	2.5
266.11908	5.2
275.11981	1.0
276.10379	1.1
277.07510	0.4
279.11438	0.4
280.09717	0.4
283.02560	0.8
283.14624	1.4
284.03033	1.0
291.08344	0.5
291.11441	7.7
292.09808	1.7
293.12888	0.7
297.12292	0.7
302.10599	0.6
308.14093	2.1
310.10599	0.5
320.11755	2.7
321.12091	0.5
324.13980	0.5
327.13538	7.5
328.14044	0.7
343.18155	3.3
350.15579	1.8
359.17651	0.5
368.16400	1.7
369.23029	3.2
390.24094	1.2
411.17264	5.7
412.17471	1.0
419.20639	0.6
443.23273	0.6
455.16196	39.9
456.16101	6.1
472.18900	4.2
473.29355	1.2
480.26624	0.6
484.18817	2.8
499.17288	0.6
517.28192	0.5
524.25464	1.1
536.18951	0.4
607.30927	0.6
654.36823	3.2
655.35510	0.5
680.34735	2.8
681.35413	0.6
698.35718	100.0
699.36011	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	697.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01243	2.8
61.98698	5.5
71.01225	1.2
71.02386	10.4
72.00793	3.2
74.02344	1.9
75.00713	1.1
78.95764	1.9
82.01585	1.5
93.03336	3.9
97.00326	2.5
97.03965	3.5
98.01086	5.5
99.01877	1.7
107.04950	1.9
111.01904	4.4
112.02657	1.6
113.02335	2.0
116.04967	8.4
118.06572	6.3
119.04926	4.8
125.09654	1.3
128.07091	26.2
133.05205	2.6
134.06001	4.4
139.87276	1.2
144.04485	2.2
145.07495	1.5
146.06082	7.5
147.03159	3.5
155.08195	3.4
157.05240	1.6
158.05917	1.5
160.07668	2.1
161.07097	2.3
162.05511	3.7
163.03879	8.1
163.08731	2.2
171.05568	1.5
171.10172	4.8
172.07645	1.9
173.07104	4.2
180.06610	21.0
180.13873	4.5
187.05122	8.0
189.06659	21.5
189.10222	1.9
191.08255	6.4
195.08107	2.8
196.13374	1.4
197.16559	2.2
198.14931	3.1
200.03471	1.5
200.05833	1.5
202.05029	1.5
209.11900	1.5
213.16008	1.4
221.09680	9.7
223.14450	1.7
224.12891	10.6
225.11259	1.6
236.10789	3.9
238.08719	2.9
241.13379	3.2
241.15610	5.7
247.12349	5.4
257.17410	1.4
259.14285	1.6
264.10223	3.8
265.08759	1.5
266.11917	7.2
276.10367	1.7
283.14297	1.9
291.11450	9.6
291.19904	1.4
292.09735	1.6
307.18994	1.8
308.14059	3.1
309.12601	1.6
320.11703	4.0
327.13580	15.0
328.13821	2.2
343.18109	4.1
350.15863	1.5
368.19974	1.9
386.18802	3.0
389.20676	3.8
397.12802	1.1
411.17142	7.8
412.17340	1.6
454.24979	2.3
455.16214	53.6
456.16974	6.9
472.18964	8.7
472.24692	1.8
484.18768	3.5
498.23929	2.0
499.17352	3.9
500.17834	2.5
504.65961	1.4
516.24835	2.6
524.25757	8.6
567.24323	1.4
653.33685	3.6
679.31781	10.1
680.31567	2.1
697.32458	100.0
698.32770	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	697.2365
Annotation	Preclathridine A
Peak:m/z	Relative Intensity
55.01761	0.6
57.03331	1.3
59.01263	9.7
61.98730	0.4
69.03350	0.6
71.01276	5.8
71.58884	0.6
72.99189	0.8
73.02830	1.2
75.00764	0.7
83.04878	0.4
85.02847	3.7
87.00771	0.5
89.02332	1.1
95.01289	1.3
96.95931	0.9
97.02869	0.7
99.00776	1.5
101.02355	2.1
105.06493	0.4
108.02077	53.1
109.02892	11.9
110.03197	0.6
113.02351	2.7
119.04942	0.5
121.02842	1.1
123.00794	1.1
123.04482	0.6
134.03665	0.5
135.04440	1.4
151.03964	1.7
152.01091	100.0
153.01724	4.5
154.02150	0.4
161.04501	1.7
163.03969	3.7
163.11183	0.5
175.03963	0.6
177.01918	1.2
179.03464	0.8
187.11293	0.5
197.00253	0.4
204.03113	0.4
205.12369	0.7
207.02940	0.7
207.10213	0.7
223.13425	1.5
267.12628	0.5
271.08322	0.9
315.07257	2.0
373.25909	0.7
403.12521	1.2
429.10440	7.3
447.11536	23.2
448.11826	2.2
637.21185	1.0
653.24487	3.6
654.24603	0.4
679.22607	0.6
697.23621	66.4
698.23920	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	697.2363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.7
57.03339	0.9
59.01261	11.3
68.99698	0.5
69.03333	0.6
69.64380	3.1
71.00898	0.6
71.01270	7.3
72.99196	1.0
73.02831	2.7
73.22276	0.5
75.00767	1.4
78.45857	0.4
83.01283	1.0
83.04909	0.7
85.02841	4.1
87.00755	1.1
89.02348	2.3
93.03338	0.5
95.01291	2.0
97.02862	0.7
99.00782	2.7
101.02351	3.9
107.04942	0.4
108.02074	47.4
109.02895	12.6
113.02354	3.7
122.03725	0.4
123.00822	1.0
123.04436	0.8
125.02356	0.7
133.02843	0.6
135.04459	2.1
141.01747	0.5
146.57828	0.5
151.03937	2.1
152.01085	100.0
153.01836	5.5
157.81772	0.5
161.02377	0.5
161.04480	3.2
163.03963	5.1
176.24960	0.4
177.01840	1.4
179.03470	1.2
181.04958	0.5
185.11896	0.6
187.11311	0.5
191.03477	0.8
207.03049	0.6
223.13406	0.9
249.11465	0.5
255.03040	0.8
271.08267	0.7
283.02435	0.5
313.23724	0.5
315.07346	1.6
373.25986	1.4
403.12799	0.6
429.10391	6.5
430.10538	0.7
447.11526	30.4
448.11877	2.8
466.04431	0.4
517.30145	1.3
535.31317	15.5
536.31818	1.3
588.58331	0.5
627.99817	0.5
637.21570	0.7
653.24603	1.8
697.23712	76.6
697.36224	6.8
698.23914	15.3
698.35358	0.7
723.56183	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01242	0.4
59.01265	100.0
60.01611	1.0
65.28799	0.4
71.52800	0.5
72.17388	0.4
78.95795	10.0
80.96427	1.0
87.75075	0.4
123.52601	0.4
147.99812	0.4
149.00050	0.6
152.99551	1.5
205.15923	0.7
279.23407	2.5
387.93149	0.4
415.22415	1.1
427.18857	0.5
440.21286	0.5
447.13571	0.5
589.44678	0.5
695.31213	35.3
696.31567	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	697.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13959	0.2
59.01262	100.0
60.01601	0.8
61.73264	0.2
61.98724	0.4
71.01257	0.3
75.00797	0.2
78.95797	0.5
89.02357	0.2
97.40616	0.2
107.79576	0.2
113.02381	0.4
115.46064	0.2
119.04945	0.5
121.02860	2.0
141.66118	0.2
152.99593	0.2
171.10245	1.0
191.03519	0.8
193.05157	0.2
209.04578	1.2
209.11813	0.4
218.22638	0.2
289.18204	0.5
309.20621	0.3
401.09317	0.2
575.11969	0.3
593.12994	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	695.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27784	0.2
59.01257	0.9
62.43211	0.2
63.02291	0.4
65.00255	0.2
69.41647	1.3
69.42050	0.6
80.26311	0.2
83.01266	0.3
88.10773	0.2
89.72790	0.2
90.45127	0.2
96.95919	1.4
100.45976	0.2
107.01290	0.9
121.02863	0.4
133.02853	2.9
134.03618	0.4
140.99487	0.2
149.02376	0.5
151.00296	2.8
175.03978	1.3
182.73671	0.2
185.06036	0.6
199.04013	1.0
200.04420	0.3
201.01915	0.5
202.02159	0.4
205.58333	0.3
211.04005	0.5
213.05515	0.4
217.05135	0.6
227.03465	0.3
229.09816	0.3
230.11795	0.3
231.60968	0.2
239.03392	0.2
241.04968	0.6
243.03021	0.5
255.03012	4.1
256.03784	2.1
257.04517	0.4
281.04791	0.3
283.02548	1.7
284.00040	0.5
284.03323	28.3
285.04089	100.0
286.04440	8.2
297.04114	0.4
299.05563	0.3
327.05255	1.0
335.12674	1.5
429.08423	1.0
446.08752	0.6
447.09409	51.2
448.09799	5.8
489.10507	19.8
490.10611	2.5
537.06329	0.2
566.62946	0.3
647.30969	0.3
651.15802	16.3
652.16229	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	695.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27784	0.2
59.01257	0.9
62.43211	0.2
63.02291	0.4
65.00255	0.2
69.41647	1.3
69.42050	0.6
80.26311	0.2
83.01266	0.3
88.10773	0.2
89.72790	0.2
90.45127	0.2
96.95919	1.4
100.45976	0.2
107.01290	0.9
121.02863	0.4
133.02853	2.9
134.03618	0.4
140.99487	0.2
149.02376	0.5
151.00296	2.8
175.03978	1.3
182.73671	0.2
185.06036	0.6
199.04013	1.0
200.04420	0.3
201.01915	0.5
202.02159	0.4
205.58333	0.3
211.04005	0.5
213.05515	0.4
217.05135	0.6
227.03465	0.3
229.09816	0.3
230.11795	0.3
231.60968	0.2
239.03392	0.2
241.04968	0.6
243.03021	0.5
255.03012	4.1
256.03784	2.1
257.04517	0.4
281.04791	0.3
283.02548	1.7
284.00040	0.5
284.03323	28.3
285.04089	100.0
286.04440	8.2
297.04114	0.4
299.05563	0.3
327.05255	1.0
335.12674	1.5
429.08423	1.0
446.08752	0.6
447.09409	51.2
448.09799	5.8
489.10507	19.8
490.10611	2.5
537.06329	0.2
566.62946	0.3
647.30969	0.3
651.15802	16.3
652.16229	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	693.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	6.6
59.01254	4.8
64.30814	1.3
71.01276	5.0
71.58472	2.0
71.58942	2.3
75.00754	4.1
81.47215	1.6
82.06496	1.6
94.06493	1.7
96.95920	2.5
98.19823	1.6
99.04425	5.1
101.02329	2.5
108.04473	4.5
110.06043	3.7
113.02364	2.0
122.06068	14.6
134.06041	18.7
135.06793	4.3
135.11462	1.7
136.07588	6.6
138.05550	4.4
139.06317	2.4
140.07101	23.8
144.04478	2.1
146.06012	3.2
149.04744	5.6
150.05505	5.3
152.07091	3.6
161.04701	5.1
162.05573	14.4
163.06268	1.8
164.03468	9.9
164.07121	11.5
166.05029	6.7
167.05788	3.1
172.03995	2.7
174.05515	5.0
175.02510	1.6
204.06648	10.7
211.08751	4.5
212.05862	16.0
213.10274	3.0
224.11044	2.0
225.06685	7.3
225.10271	2.9
227.08287	2.2
227.11890	4.3
229.09882	2.2
237.10367	14.0
238.07368	3.3
239.08235	15.0
239.11801	2.2
240.08963	4.4
241.09795	3.3
242.10591	1.8
243.11385	5.7
251.08183	4.2
251.12010	3.2
252.08983	5.1
252.10378	3.0
252.12701	14.7
253.06210	19.6
253.09825	22.4
253.13419	3.0
254.10246	2.3
255.11426	11.0
257.09277	5.3
259.10895	2.4
261.12433	5.6
265.06122	2.7
266.06995	9.3
266.09610	1.4
267.07770	23.9
267.11389	14.8
268.08856	12.2
268.11908	12.3
269.04602	7.2
269.09018	2.1
269.12631	1.8
270.04880	1.9
270.10043	2.1
271.11002	4.5
272.11353	3.1
273.12439	10.9
274.12561	1.8
277.09933	2.4
279.07733	8.4
279.11322	4.5
280.08591	26.9
280.11606	2.5
281.09372	41.6
282.09863	3.5
283.10941	3.8
284.08118	1.8
285.08823	6.0
285.12347	3.6
286.09686	1.8
295.10941	98.7
296.11609	44.1
297.09055	2.5
297.12393	26.7
299.10468	9.5
300.11108	4.2
301.11853	10.7
303.13553	39.9
304.13901	4.4
311.10223	3.5
313.12125	8.0
321.14661	2.3
327.09714	1.9
327.13501	22.5
328.10663	6.2
328.14084	2.6
339.09882	19.1
340.10547	7.3
341.11279	9.1
342.11530	2.1
349.14139	10.0
357.13596	6.1
369.13516	6.9
371.12552	23.8
372.13040	4.7
373.14279	12.1
379.20700	1.8
390.14706	5.9
404.16141	5.4
406.13885	2.2
407.14890	3.8
420.15726	4.1
421.15857	2.0
434.13309	3.0
436.18591	2.3
448.15268	2.4
466.16174	4.2
479.17142	2.9
511.19839	12.4
512.20502	4.6
557.24231	5.5
599.25281	13.0
600.25763	2.0
601.23212	21.9
602.23425	4.7
617.26123	6.2
618.26849	2.4
633.25745	27.9
634.25928	6.7
643.15637	1.4
643.24139	54.5
644.24115	9.1
661.25287	40.0
662.25641	8.6
675.26825	100.0
676.27136	20.5
693.27936	39.6
694.28503	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	693.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49761	1.3
52.96346	1.1
57.46213	1.1
59.01266	5.8
67.85244	1.2
71.01274	1.7
75.00749	3.1
85.02842	1.7
89.02329	2.9
96.95921	5.6
99.00773	1.6
101.02357	2.0
102.39384	1.2
106.46889	1.1
107.59206	1.2
108.02090	1.9
108.04467	1.7
108.83910	1.1
109.30866	1.2
110.81433	1.0
113.02331	1.8
114.34828	1.1
121.05247	1.2
122.06062	7.0
129.57295	1.3
134.06094	6.0
136.07559	2.1
140.07092	4.9
149.04852	2.3
150.05547	2.6
152.01099	2.8
160.04002	2.0
161.04750	5.2
162.05563	5.2
164.03537	2.3
164.07109	3.0
168.97046	1.2
174.05615	2.7
174.53958	1.3
175.06296	1.1
204.06633	5.9
209.11829	7.8
211.08664	1.4
212.05893	11.8
213.06538	1.3
213.10393	2.0
215.11870	1.6
225.06732	2.3
225.10323	2.1
227.08151	1.2
227.12845	2.7
228.12669	1.6
237.10254	8.7
238.11044	1.4
239.08224	8.1
240.09006	3.0
241.09798	1.7
243.11339	3.7
250.57767	1.3
251.08046	1.7
251.11836	1.6
252.10480	1.7
252.12718	8.2
253.06232	10.0
253.09853	9.2
253.13428	3.4
254.06912	1.9
255.11388	7.2
265.06229	1.3
266.07028	4.5
267.07803	12.4
267.11337	5.8
268.08691	8.7
268.12003	8.5
269.12955	2.2
270.10199	2.2
271.10892	2.9
272.07916	1.2
273.12491	4.4
279.07822	3.0
279.11469	1.9
280.08557	12.4
281.09375	20.3
282.09787	3.2
283.07352	1.5
283.10950	2.2
284.03329	1.8
285.04153	5.0
285.08936	4.5
285.12213	1.4
295.10895	33.9
296.11679	26.7
297.12363	13.4
299.10440	8.2
300.11044	2.6
301.11948	5.0
303.13449	7.4
306.08716	1.5
313.12024	5.3
327.13580	8.1
328.14120	1.8
339.09958	5.5
340.10739	4.0
341.11435	4.4
371.12650	7.5
372.13416	3.4
373.14230	10.7
390.14731	4.1
394.17792	1.6
397.13507	9.2
404.16357	2.7
406.14053	2.4
407.14893	3.0
415.14380	2.9
420.15988	2.2
434.13593	2.7
435.18225	1.5
438.16864	1.7
447.09537	2.2
448.15359	2.0
466.16156	2.6
480.17722	2.3
489.10974	1.4
511.19778	15.1
512.20355	3.5
599.25647	1.7
607.26282	1.7
613.22986	1.4
631.23987	1.9
633.25775	23.4
634.26166	4.6
643.23969	7.6
647.27130	1.2
649.24530	2.6
657.26489	1.7
675.26819	100.0
676.27087	26.9
693.16595	2.2
693.27942	40.9
694.28101	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	691.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49009	0.5
57.70584	0.5
59.01260	1.3
62.33343	0.5
69.86600	3.1
78.95790	39.0
80.02572	2.1
81.03345	1.8
83.04916	7.0
84.02045	2.7
95.04931	0.9
96.96854	3.8
98.20553	0.6
102.37556	0.5
109.06485	0.8
134.98483	0.6
135.08087	1.2
152.99524	63.6
153.99904	1.2
163.11237	7.0
165.12793	3.6
171.00609	5.8
181.12270	1.2
191.10738	1.1
206.70355	0.6
209.11812	100.0
210.12183	6.2
225.11235	0.9
227.03258	4.1
227.12891	8.0
245.04346	2.2
253.21774	19.1
254.22153	1.9
277.21771	0.8
279.23303	1.6
309.24313	0.6
359.29727	0.6
363.12280	7.0
414.61697	0.6
437.15866	5.4
455.16949	84.2
456.17276	6.3
560.84204	0.6
691.38409	81.7
692.38690	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	691.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
58.00475	0.3
59.01268	2.4
59.78524	0.2
63.18022	0.2
71.01266	2.0
71.06046	0.3
71.06392	0.2
73.02842	0.6
80.02560	1.2
81.03352	0.9
83.01268	0.4
83.04918	4.2
84.02064	0.6
85.02833	0.5
87.00765	0.3
89.02341	1.2
89.83530	0.2
93.03375	0.3
95.04916	0.7
97.02841	0.2
97.06474	0.3
99.00762	0.2
101.02357	1.6
109.06502	0.4
113.02368	1.0
119.03456	0.5
125.06041	0.4
125.09630	1.0
127.11219	1.2
135.08063	0.4
137.09645	0.3
145.04991	0.3
155.10762	0.4
161.04504	0.9
163.11261	3.3
164.11615	0.2
165.09158	0.5
165.12787	2.2
171.10237	1.8
172.10609	0.3
179.05521	0.3
181.12325	0.4
183.10294	0.3
185.11893	0.2
191.10780	1.0
199.09723	0.5
201.11308	21.9
202.11705	1.1
209.11818	100.0
210.12155	8.0
210.14232	0.3
211.12505	0.2
221.11832	0.2
225.11322	0.4
227.12892	15.1
228.13266	1.1
232.79091	0.2
235.06155	0.2
235.08281	2.9
236.08495	0.3
247.13480	0.2
253.09332	8.6
254.09834	0.3
283.02530	0.5
315.90964	0.2
375.21765	0.4
393.22879	0.5
403.17722	0.2
411.24176	0.2
419.19232	0.2
437.20374	1.1
445.20959	3.2
446.21390	0.5
611.30878	0.5
629.32166	0.3
637.32251	0.6
655.32648	0.4
673.34406	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	691.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25856	0.4
57.03335	0.8
59.01263	6.9
61.98714	2.3
69.55029	0.5
71.01267	8.2
71.27296	1.1
73.02835	2.1
75.00768	1.7
78.95795	2.3
80.02538	0.9
81.03355	0.9
83.01291	1.0
83.04912	3.6
85.02847	2.1
87.00793	1.2
89.02326	3.6
95.04924	1.4
96.95904	0.9
97.06480	3.3
99.00768	0.7
101.02325	5.0
101.80911	0.5
113.02333	2.6
119.03432	0.7
125.09737	0.9
135.07991	0.6
145.04991	0.6
151.11214	12.5
152.11597	1.6
152.99542	1.1
153.01746	0.5
161.04485	1.9
163.11195	2.5
165.12798	1.5
169.12288	84.8
170.12616	4.3
171.10201	2.3
179.05537	0.6
181.12390	0.5
195.10249	2.1
197.11787	1.8
201.11298	1.0
207.10307	1.4
209.11812	44.7
210.12166	2.6
211.13396	1.2
213.11310	9.7
214.11571	0.9
225.11349	1.1
227.12917	3.7
235.08232	1.0
237.03838	0.6
253.09352	3.3
265.07535	0.7
277.21698	0.8
287.15042	0.8
293.21326	1.1
351.55673	0.6
397.13742	0.8
431.19327	1.7
449.20276	5.7
641.31842	1.2
659.32953	100.0
660.33289	19.5
691.35272	12.3
692.24280	0.6
692.35974	2.6
723.10199	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26914	3.1
54.58370	2.9
56.93739	3.3
57.75986	2.9
57.76272	3.1
59.01252	12.4
61.98721	19.4
71.01271	6.8
71.36463	4.4
78.95791	39.7
83.04903	3.9
88.39774	2.8
90.56891	2.9
96.96835	6.2
101.02338	3.6
119.04965	16.6
145.02866	13.7
146.53491	3.2
150.24022	3.7
152.99535	20.6
160.77284	3.2
163.03923	12.0
171.10173	6.0
196.76987	3.5
207.10168	4.6
209.11812	100.0
210.12027	7.8
225.11331	4.4
227.12845	11.8
253.09177	6.3
443.15735	3.5
445.20944	5.9
456.14801	3.6
553.29309	3.5
647.33685	3.4
653.23907	13.8
654.24445	6.8
655.24585	6.9
661.02783	3.4
673.33057	10.8
691.31665	20.7
692.31390	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	691.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.4
57.03323	0.6
58.00476	0.8
59.01265	14.0
60.01582	0.2
61.98719	1.1
68.99702	0.3
69.03342	1.0
71.01270	13.6
71.04902	0.2
71.58753	0.2
72.01608	0.4
72.99205	1.3
73.02444	0.2
73.02831	2.0
75.00776	0.7
78.95779	0.6
81.03339	0.7
83.01278	1.2
83.04911	0.2
85.02352	0.2
85.02844	2.6
85.99992	0.2
87.00770	2.7
89.02336	10.4
95.01302	0.7
95.04899	0.2
96.95928	0.2
97.02850	1.7
97.06522	0.2
99.00777	0.8
99.04435	0.2
101.02346	9.9
102.02697	0.2
109.02855	0.3
111.00774	0.3
111.04410	0.3
111.08034	0.3
113.02357	4.6
113.09628	0.3
115.03929	0.3
119.03417	2.9
121.02863	0.3
125.02367	3.7
127.03860	0.1
129.01819	0.2
131.03419	0.7
134.06000	0.2
134.85934	0.2
137.00002	0.1
139.03931	0.2
141.01796	0.2
141.09145	0.2
143.03430	1.4
148.05194	0.2
149.04475	0.3
151.00319	0.2
152.99512	0.3
161.04509	1.8
163.11111	0.2
167.03519	0.2
167.10713	0.2
168.76891	0.2
169.12315	0.3
171.10182	0.5
179.05568	2.8
179.10779	0.3
179.14383	0.6
181.12398	0.2
183.10201	0.2
183.30963	0.1
185.04509	0.2
185.52748	0.1
195.13887	7.5
196.14412	0.7
197.11772	0.3
205.12291	0.6
205.15912	0.4
209.11838	1.2
210.12177	0.4
211.13440	1.0
221.06625	0.8
223.13385	5.6
224.13745	0.5
225.14815	0.2
228.13622	0.6
231.21349	0.3
235.08218	2.9
239.12813	0.3
249.22285	0.3
253.09265	1.2
256.13272	0.8
263.07874	0.6
265.21768	0.6
275.17407	0.3
275.20224	4.0
276.20425	0.3
277.09259	0.2
287.07797	0.6
293.21283	100.0
294.21613	9.1
304.82251	0.2
305.09006	0.9
323.09766	0.5
361.11646	0.2
397.13580	23.6
398.13797	1.8
415.14651	26.5
416.15005	1.8
630.68958	0.2
654.27594	0.7
691.34692	1.3
692.36035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01249	4.0
60.30134	1.0
67.53726	1.0
71.09729	1.1
71.17326	2.4
75.31187	0.9
78.64130	1.1
78.95794	33.2
80.02565	1.1
81.03330	2.8
83.04901	3.7
96.96854	2.3
97.02852	5.4
99.00804	1.0
109.06500	36.0
110.06854	2.0
110.98387	1.3
121.06459	1.8
125.03925	1.0
135.08057	3.1
150.84836	1.0
150.97910	1.2
152.99527	53.2
161.09633	1.6
163.11249	17.6
171.00606	5.7
175.18369	1.1
181.12329	6.2
207.10246	53.9
208.10521	3.5
209.11827	5.8
225.11324	31.8
225.13564	1.5
226.11656	2.2
227.03259	5.9
227.12784	1.7
243.85898	1.2
245.04234	3.3
253.21729	17.8
254.22028	2.4
279.23349	13.2
280.23700	1.3
317.72406	1.2
361.10660	7.7
403.41580	1.0
435.14441	7.8
453.15414	100.0
454.15775	10.3
483.27722	1.4
689.36810	59.7
690.37518	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	689.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	16.6
59.01505	3.8
61.98714	90.3
68.01301	4.2
71.01272	15.0
78.95800	15.5
80.86830	4.9
89.02328	11.9
96.95897	27.7
101.02338	8.8
113.02376	5.6
125.02356	6.7
152.99496	7.8
171.10172	10.4
207.10217	5.9
209.11786	20.3
213.72720	4.2
229.19778	4.7
235.08139	5.4
255.23293	42.6
263.95724	4.2
366.65512	4.4
397.13531	100.0
398.14029	6.5
415.14569	27.3
653.37646	17.8
654.38324	9.0
684.12463	5.2
689.35175	86.3
690.35248	21.5
718.26172	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	689.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34396	0.6
57.03335	0.8
58.51268	0.6
59.01261	6.0
61.98720	3.7
71.01270	46.6
71.04922	0.5
71.25080	0.7
71.25432	1.0
72.01546	0.8
72.99194	0.7
73.02830	2.2
77.77079	0.6
78.95795	13.2
80.02553	1.8
81.03345	2.0
83.01270	1.4
83.04911	5.0
84.02068	1.3
85.02842	2.6
87.00771	1.7
89.02319	2.1
95.01262	0.6
95.04917	1.5
96.96855	0.7
97.02855	1.6
97.06483	0.7
99.00787	2.4
101.02342	3.8
102.70434	0.6
109.06500	6.5
111.08069	0.8
113.02356	3.0
116.67549	0.5
119.03399	0.6
125.02356	0.7
125.09657	2.8
127.11184	1.7
135.08076	1.2
139.07596	1.2
143.03398	0.8
149.33839	0.7
152.99535	5.0
155.10722	1.0
161.04477	1.0
161.09627	0.8
163.11234	8.2
165.12814	2.4
171.10216	25.9
172.10590	1.5
179.10698	1.4
181.12297	2.4
185.11774	2.6
189.09192	1.8
191.10797	1.4
195.13925	0.8
197.11832	1.0
199.09805	1.3
199.13347	1.1
201.11299	13.2
202.11711	0.7
207.10251	17.7
208.10588	1.4
209.11813	100.0
210.12160	6.4
211.13545	0.7
215.12970	0.8
223.13350	1.4
225.11319	23.2
226.11667	1.3
227.12894	9.6
235.08258	3.2
243.12373	2.3
251.12878	1.1
253.09282	7.5
293.21341	1.6
307.41599	0.6
363.12119	1.5
395.14877	0.9
399.21683	0.8
417.22723	1.6
429.20093	0.7
443.19437	0.9
445.20819	0.8
447.21829	0.8
461.20270	4.0
525.39539	0.6
535.17957	0.6
635.31500	1.0
653.31805	2.3
657.34540	3.9
671.32794	3.5
672.34039	1.2
689.34247	9.0
690.34760	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	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00209	0.7
55.01760	0.5
57.03318	0.6
58.00478	0.7
59.01262	6.7
69.03331	0.8
69.46479	3.7
71.01268	57.9
72.01604	1.1
72.99191	0.6
73.02828	3.7
75.00784	0.5
80.02564	1.3
81.03358	1.9
83.01265	1.0
83.04913	6.8
84.02055	1.6
85.02836	3.7
87.00776	1.9
87.33783	0.4
89.02335	3.7
93.03368	0.5
95.04922	1.9
97.02863	2.1
97.06458	1.0
98.03160	0.4
98.20539	0.5
99.00795	2.2
100.17050	0.5
101.02337	3.7
109.06498	7.0
109.64888	0.4
110.03621	0.5
111.00761	0.5
111.04459	0.6
113.02323	2.5
121.06525	0.6
123.08083	0.6
125.02349	0.9
125.06006	0.9
125.09652	2.2
127.11218	1.2
135.08104	1.6
136.05276	0.6
139.07576	1.1
142.02605	0.6
143.03477	0.6
144.68573	0.4
145.05031	0.5
149.09659	0.6
151.97604	0.4
153.09097	0.5
153.12802	0.5
155.10727	1.2
161.04477	1.6
161.09563	0.7
163.11226	9.2
164.11636	0.6
165.09146	0.6
165.12802	2.2
171.10229	34.2
172.10555	1.9
179.05617	0.8
179.10732	0.5
181.12337	3.4
185.11787	1.6
189.09262	1.0
189.12823	0.4
190.31021	0.4
191.10756	1.2
197.11836	1.4
199.09734	0.8
199.13385	0.9
201.11301	14.9
202.11612	0.7
207.10260	20.6
208.10712	1.0
209.11824	100.0
210.12137	6.6
215.12871	1.8
225.11330	29.5
226.11644	1.4
227.12900	11.1
228.13304	0.5
233.11942	0.6
235.08292	3.5
243.12404	2.5
247.13251	0.6
251.12949	1.6
253.09334	10.6
254.09563	0.5
263.13080	0.9
284.03384	1.2
295.10223	1.1
374.96161	0.5
375.21631	0.7
399.21667	0.8
407.19342	0.6
417.22778	1.1
443.19492	1.7
445.20807	0.9
461.20401	5.8
462.20990	0.6
479.21585	0.8
487.21735	0.5
609.30151	0.5
635.30768	1.8
653.31781	2.9
654.31989	0.6
671.32880	3.6
672.33118	1.2
689.34015	5.0
690.34204	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	689.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68769	0.5
54.22514	0.5
55.01772	1.2
57.03332	1.9
58.00504	0.6
59.01265	10.7
65.18110	0.5
69.02612	0.5
69.03355	0.6
70.33312	0.8
70.33720	1.3
71.01268	11.0
71.04908	3.8
72.99214	0.9
73.02839	2.3
75.00777	1.1
78.95752	0.6
80.02565	1.3
81.03362	1.7
83.01281	1.5
83.04920	7.3
84.02056	1.8
85.02828	2.6
87.00776	1.6
89.02332	4.4
91.88191	0.6
95.01276	0.9
95.04926	2.0
96.95889	0.9
97.02850	4.0
97.06481	3.0
99.00781	19.0
99.04448	0.6
101.02339	6.8
109.02847	0.8
109.06485	4.6
110.03635	0.6
111.04425	0.7
113.02348	4.5
119.03434	2.3
121.06492	0.7
123.08102	1.6
125.09639	8.1
127.11195	1.3
135.08092	2.3
142.02632	1.2
145.10187	1.0
153.12807	0.9
154.58530	0.5
158.55659	0.5
161.04501	2.4
161.09677	0.9
161.66095	0.5
163.11223	15.4
164.11583	1.2
165.12823	3.1
171.10222	32.3
172.10587	1.8
179.05534	0.7
181.12309	19.0
182.12674	1.5
185.11710	0.6
191.10765	0.8
197.11844	1.8
199.09802	0.9
199.13382	13.1
200.13686	0.9
201.11281	5.5
207.10258	32.9
208.10649	1.9
209.11815	85.8
210.12167	6.3
219.87424	0.5
223.13438	1.0
225.11327	52.4
226.11749	3.4
227.12907	9.6
228.13144	0.8
235.08237	2.1
243.12402	22.8
244.12651	1.8
253.09326	7.9
284.03262	1.1
285.04099	0.9
291.19672	1.0
349.39688	0.7
359.42679	0.6
407.19272	1.3
443.19250	0.8
445.20868	1.6
461.20401	5.4
462.20175	0.6
479.21368	8.3
480.22076	0.8
495.16354	0.6
551.35590	0.6
587.20502	0.6
635.31525	0.9
645.30878	0.9
653.31769	2.2
671.33191	6.2
689.33984	100.0
690.34375	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	688.3569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60984	0.5
55.01765	1.6
57.03333	1.9
58.00470	1.4
59.01263	39.4
60.01593	0.6
60.61123	0.5
61.98722	3.7
63.56260	0.5
69.03350	0.8
70.71320	0.6
71.01270	24.3
71.04906	0.7
71.56093	0.7
72.99195	2.3
73.02851	4.3
75.00763	2.3
78.95795	3.7
80.02580	0.6
81.03352	0.9
82.77829	0.6
83.01292	2.7
83.04912	2.8
84.02064	0.6
85.02842	8.7
87.00750	2.2
89.02338	9.2
95.01281	1.7
95.04942	0.7
96.08115	0.6
96.95924	0.9
97.02837	1.6
97.06467	1.1
99.00767	1.9
101.02335	13.1
109.02843	0.7
109.06483	1.7
110.03597	0.8
111.00828	0.8
111.04402	1.6
111.08088	1.1
113.02366	9.3
115.07555	1.4
119.03442	3.0
123.17912	0.6
125.02351	0.8
125.09619	1.4
135.08086	1.2
139.03938	1.1
141.01602	0.6
151.11238	0.9
152.99495	1.4
153.12851	0.6
156.10225	2.6
158.11790	4.9
161.02403	0.6
161.04510	1.0
162.09943	0.6
163.11258	1.9
164.11545	0.7
165.12813	4.7
166.13055	0.6
169.12213	0.9
171.10216	13.0
172.10544	2.1
179.05544	0.8
179.10695	1.4
181.12277	1.8
182.12610	0.6
183.13866	8.1
185.11763	0.7
191.10710	0.7
197.11801	3.6
197.13329	0.5
198.12160	1.1
199.13351	1.3
201.11310	2.5
202.11714	0.9
205.08659	1.6
206.08949	1.1
207.10234	3.4
208.10654	1.1
209.11816	33.9
210.12170	10.8
211.13452	0.6
213.11339	1.3
219.17555	2.0
223.09784	5.3
223.13351	2.3
224.09982	2.6
224.13589	0.9
225.11339	3.8
227.12878	6.6
228.13246	1.6
235.08372	1.3
237.18646	1.1
237.22147	0.8
241.10704	1.0
253.09364	3.4
254.09737	0.6
262.21851	0.6
263.20120	0.7
281.17612	1.6
284.03525	0.6
297.75882	0.6
320.17258	0.9
324.21725	1.1
386.14606	0.7
414.14850	0.9
415.14984	1.2
450.23422	1.7
461.20355	0.8
486.27765	0.9
504.28387	1.8
584.34460	13.2
585.34668	1.3
602.35620	18.3
603.36011	2.0
644.36652	100.0
645.36926	14.2
652.30981	1.7
653.31549	0.7
670.31415	3.0
671.32794	1.3
688.32898	8.0
689.33240	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	688.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.4
57.03332	1.5
58.00480	0.7
59.01263	39.7
60.01608	0.4
61.98715	0.9
64.88630	0.4
68.99694	0.5
69.03320	0.6
69.66696	0.3
70.71424	1.0
71.01267	21.3
71.04877	0.6
72.01640	0.4
72.99187	1.9
73.02836	3.1
73.03175	0.5
75.00751	1.4
77.67284	0.4
78.95788	1.2
81.03343	0.4
83.01282	2.4
83.04915	1.7
85.02840	6.5
86.03159	0.4
87.00768	1.7
89.02334	10.1
95.01301	2.1
95.56153	0.4
96.08059	0.5
96.95906	1.8
97.02826	0.7
97.06506	1.0
97.68976	0.4
99.00760	2.3
101.02339	13.9
102.02767	0.4
109.06517	0.9
111.04409	0.4
111.08068	1.0
113.02350	8.0
114.09197	0.6
115.07560	2.4
119.03392	3.2
123.08041	0.4
125.02322	0.7
125.09634	0.7
127.11189	0.5
129.01820	0.8
137.12769	0.4
143.03477	0.4
151.11174	0.5
152.99507	0.7
156.10211	3.2
158.11803	7.1
159.02960	0.7
161.04445	1.3
163.11208	1.1
165.12790	4.6
168.13876	0.7
169.12318	0.5
171.10207	5.2
172.10564	1.5
176.79225	0.3
177.12776	0.4
179.10683	0.7
181.12292	0.8
183.13869	8.9
185.11761	0.9
195.17644	0.4
195.59897	0.4
197.11781	3.0
198.12128	0.6
199.13393	1.1
201.11310	1.3
205.08670	1.0
207.10275	2.1
209.11804	16.2
210.12161	4.2
211.17004	0.5
219.17514	2.2
223.09758	1.9
223.13315	0.9
224.10072	1.5
225.11343	2.6
227.12875	5.0
228.13167	0.8
235.08237	0.8
235.17036	0.4
237.18611	1.2
237.22269	0.6
243.12321	0.5
253.09241	2.0
254.60690	0.5
262.21732	0.6
263.20157	0.8
281.17627	2.1
281.21341	0.7
320.17114	1.0
324.21786	1.1
445.21021	0.4
450.23474	0.7
486.27203	0.7
504.28271	2.0
584.34503	14.1
585.34814	1.4
602.35516	17.8
602.45251	0.9
603.36310	2.6
626.35474	0.4
644.36627	100.0
645.36945	16.5
645.47675	0.9
652.30652	0.8
653.32098	0.5
657.30963	0.5
670.32574	1.0
671.32471	0.7
688.33044	3.9
689.33588	2.2
701.29999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	6.5
61.98709	10.0
68.99697	3.0
69.03312	1.4
71.01269	14.9
72.99196	1.7
73.02367	0.8
73.02816	2.0
78.95794	6.3
80.02548	1.8
81.03349	1.4
83.01281	1.4
83.04913	5.6
84.02086	1.3
85.02852	1.6
87.00771	1.2
89.02337	2.2
95.01288	1.0
95.04932	1.5
96.95920	3.0
96.96904	0.9
97.02853	3.1
97.06476	1.0
101.02383	4.5
109.02821	1.1
109.06501	3.0
110.03672	1.0
111.04405	5.7
113.02338	2.8
122.03677	1.1
123.08047	1.3
125.05976	1.3
125.09636	3.2
125.57189	0.9
135.08078	2.2
138.30493	0.9
142.18738	0.9
151.11234	2.4
152.99530	1.6
161.09660	3.0
163.11237	5.8
165.12831	1.5
171.10222	29.2
172.10539	1.1
177.09143	3.3
179.10693	5.0
185.11778	2.0
197.11810	3.4
199.09709	1.1
201.11374	1.5
205.08714	9.6
207.10298	8.2
209.11819	100.0
210.12112	6.9
213.11259	4.6
223.09752	25.1
224.10057	1.1
225.11285	4.2
227.08131	0.9
227.12912	14.3
235.08188	2.7
241.10860	2.4
253.09317	8.2
267.70642	0.9
293.21353	1.3
329.34024	1.1
415.21658	1.7
441.17545	1.1
459.18839	2.3
461.20065	1.0
610.08722	1.0
633.29443	1.0
643.29602	1.1
651.30334	3.6
669.31226	8.8
687.32587	22.4
688.33301	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	687.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
55.46468	0.4
57.03341	1.1
59.01266	6.2
67.01744	0.4
68.99705	4.2
69.03358	1.4
69.48498	2.5
70.92728	0.4
71.01268	14.9
71.04887	0.4
72.99199	1.5
73.02829	2.0
78.93583	0.3
80.02579	1.3
81.03358	1.6
82.81267	0.3
83.01282	1.6
83.04916	6.7
84.02054	1.2
85.02827	2.7
87.00777	1.7
89.02335	2.8
91.84869	0.3
93.03377	0.6
95.01292	1.1
95.04941	1.3
96.95909	0.4
97.02855	2.6
97.06507	1.4
99.00765	0.6
101.02349	4.6
106.04124	0.5
107.04929	1.0
108.22074	0.4
108.71947	0.3
109.02875	1.2
109.06499	2.2
110.03637	2.7
111.00797	0.7
111.04429	9.5
111.08083	1.3
113.02354	3.0
118.84821	0.4
119.03436	0.6
121.02859	0.4
122.03660	0.5
123.04429	1.4
123.08060	1.6
125.02398	0.7
125.05995	1.3
125.09617	4.3
127.11172	0.6
129.01971	0.5
134.03629	0.4
135.08093	1.6
136.05247	0.8
137.09645	0.9
137.80151	0.4
139.11180	0.4
143.03471	0.4
145.04976	0.6
146.46980	0.3
149.06006	0.6
149.09644	1.0
151.11227	2.5
153.09154	1.8
155.10707	0.7
157.65274	0.4
161.04509	1.6
161.09657	5.2
163.07587	0.6
163.11220	5.3
164.11649	0.5
165.09155	0.5
165.12813	2.1
167.10645	0.4
169.12257	0.7
171.10217	40.2
172.10542	2.1
177.09131	3.4
179.05557	0.5
179.10728	7.5
181.12303	1.0
185.11804	2.3
187.09746	1.1
191.10747	1.1
195.10266	1.6
197.11812	4.1
199.09708	1.3
201.11320	0.9
205.08681	11.1
206.08897	0.5
207.10231	2.9
209.11813	100.0
210.12134	6.0
213.11279	3.7
221.11758	0.4
223.09756	31.5
224.10126	1.7
225.11317	3.0
227.12886	16.0
227.15176	0.6
228.13249	1.0
235.08226	4.0
241.10864	4.2
253.09302	9.0
317.85205	0.4
397.20102	1.0
397.71613	0.4
405.17697	0.8
407.19244	1.8
415.21246	1.3
419.19495	0.4
433.22229	0.9
441.17624	1.8
445.20761	1.9
459.18732	5.0
460.19299	0.6
463.21481	0.4
465.35925	0.8
477.20093	1.6
525.40088	0.4
581.29584	0.6
625.28632	0.6
633.29053	1.3
643.29639	1.5
651.30286	5.3
652.30615	0.9
669.31396	7.3
670.31561	1.2
687.32373	14.0
688.32751	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	687.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03331	1.2
58.00504	0.3
59.01261	6.5
61.98748	0.2
64.11586	0.3
67.01781	0.4
68.99709	0.3
69.03342	4.8
69.68175	0.8
69.68600	1.0
71.01261	5.4
71.04902	1.9
73.02841	1.3
75.00762	0.6
78.95798	0.8
80.02553	1.3
81.03346	1.7
83.01273	1.2
83.04910	5.7
84.02063	0.9
85.02835	1.4
87.00776	1.1
89.02338	2.7
95.01293	0.6
95.04917	1.2
96.95908	0.7
97.02849	0.9
97.06494	1.3
99.00787	1.2
101.02336	4.1
107.04952	0.3
108.02021	0.3
109.06495	1.0
111.04440	0.6
113.02347	2.0
119.03393	0.8
120.67428	0.2
121.06549	0.5
123.08045	1.4
125.05965	0.6
125.09642	2.5
135.08109	1.0
137.09636	0.4
149.09645	0.4
151.11209	2.5
152.99615	0.4
153.12802	0.9
161.04536	1.3
161.09662	4.3
163.11226	4.1
165.12773	2.2
169.12239	0.3
171.10211	3.3
179.05553	0.3
179.10733	8.0
180.11023	0.3
181.12341	1.4
185.11751	0.4
191.10732	1.2
197.11804	43.5
198.12140	2.6
199.13335	0.3
205.08595	0.3
207.10292	3.5
209.11806	68.2
210.12134	4.8
223.09752	1.8
225.11324	3.2
227.12878	5.1
228.13135	0.5
235.08247	0.6
241.10855	2.4
243.12431	0.9
248.24203	0.3
253.09308	3.1
255.23209	0.3
309.84897	0.3
389.23743	0.3
409.18622	0.3
459.18549	1.0
461.20291	0.5
477.19699	1.6
525.26959	0.4
651.30261	0.8
669.31006	1.5
687.32410	100.0
688.32776	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	687.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.6
57.03340	0.9
58.00472	0.5
59.01262	14.5
61.98722	0.9
63.38885	0.4
67.01782	0.7
68.99712	1.5
69.03346	1.2
70.90415	1.1
70.90767	0.5
71.01267	12.6
71.04908	0.8
72.69334	0.4
72.99207	1.5
73.02829	2.2
75.00781	1.2
78.40447	0.4
78.95808	1.3
80.02560	2.0
81.03345	3.4
83.01270	2.5
83.04917	7.5
84.02067	1.7
84.24746	0.4
85.02837	4.2
87.00777	2.4
89.02332	5.9
93.03356	0.7
95.01273	1.6
95.04936	2.1
96.95916	2.6
96.96879	0.6
97.02859	1.3
97.06482	1.3
99.00826	0.7
101.02338	7.4
107.04953	0.7
109.02848	0.9
109.06519	2.7
110.03663	0.8
111.04425	3.4
111.08123	0.6
113.02362	5.5
119.03400	2.1
121.06523	0.5
123.04438	0.9
123.08070	1.5
125.02369	0.9
125.06023	1.6
125.09651	2.0
133.05042	0.6
135.08099	1.8
136.05193	0.6
137.09644	1.0
141.09186	0.7
143.03485	1.1
149.09610	0.6
151.07587	1.5
151.11208	3.0
153.09145	1.3
153.12810	1.3
161.04477	2.9
161.09619	2.0
163.11238	6.7
164.11594	0.7
165.12790	2.9
167.10689	0.5
169.12291	32.1
170.12590	2.0
171.10225	18.9
177.09149	1.4
179.05565	1.2
179.10735	4.3
181.12296	1.2
185.11827	1.3
187.09711	0.8
191.10747	1.8
195.10271	1.0
197.11813	60.3
198.12181	2.9
201.11266	1.5
205.08722	3.7
206.08958	0.4
207.10228	3.8
209.11818	99.5
210.12149	7.0
211.13324	0.6
213.11218	1.2
215.12762	0.6
223.09772	12.4
224.10162	0.9
225.11334	5.3
227.12880	12.9
228.13188	0.6
230.48383	0.5
235.08191	3.3
241.10852	1.6
253.09317	8.9
254.98155	0.9
255.03023	1.1
283.02673	0.8
284.03308	0.5
292.28265	0.5
357.15668	1.5
407.19168	1.0
415.21121	0.9
433.21191	1.3
441.17694	0.6
445.20999	0.8
457.18719	0.4
459.18777	1.8
460.19406	0.5
461.20367	0.9
477.20099	1.0
483.17087	0.6
615.30786	0.6
627.34692	0.9
633.28876	0.7
643.28912	0.6
645.34760	0.6
651.29974	2.2
669.30988	4.6
670.31866	0.7
687.32355	100.0
688.32794	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	687.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	1.0
56.29058	0.6
57.03309	1.7
58.00468	1.2
59.01265	20.8
61.98720	1.0
69.03338	1.4
70.96373	1.0
70.96716	1.0
71.01269	17.5
71.04890	0.8
71.70261	0.7
72.99194	2.5
73.02837	7.2
75.00754	1.8
78.95786	2.8
80.02548	1.6
81.03346	2.1
83.01258	2.9
83.04912	6.6
84.02054	2.1
85.02852	4.1
87.00780	2.9
89.02339	9.9
93.03313	0.8
95.01279	2.0
95.04897	2.1
96.95898	2.6
97.02863	3.0
97.06454	1.8
99.00772	1.7
101.02351	11.7
106.04183	0.8
108.02082	0.8
109.02850	0.9
109.06496	8.1
110.03640	1.4
111.04429	2.1
113.02361	10.2
119.03422	3.2
121.06497	1.4
122.03672	1.0
123.08125	0.8
125.02407	1.0
125.05978	1.0
125.09615	2.8
131.03397	1.5
135.08072	2.5
136.05235	1.4
143.03436	1.4
145.04984	0.7
149.04478	0.9
149.09720	0.9
151.11195	2.3
152.99495	1.4
153.09163	1.1
153.12796	1.4
161.04501	4.2
161.09615	1.1
163.11234	8.5
165.09140	1.1
165.12819	3.1
169.12292	32.2
170.12585	0.9
171.10225	23.0
179.05554	2.7
179.10675	2.6
181.12234	2.7
185.11758	1.0
189.09152	0.9
190.15678	0.7
191.10738	1.4
195.10226	0.8
197.11813	43.1
198.12181	2.0
199.13426	1.7
201.11310	3.3
205.08641	2.2
206.36305	0.7
207.10249	21.6
208.10522	1.0
209.11818	75.9
210.12184	4.3
213.11243	1.3
215.12926	1.2
223.09753	6.5
223.13205	0.7
224.09982	0.7
225.11330	19.0
226.11661	1.3
227.12898	9.0
228.13181	1.0
235.08134	3.6
241.10750	2.1
243.12372	2.1
251.13075	0.8
253.09291	10.3
254.97969	0.9
255.23253	1.9
263.12894	0.9
279.12576	0.7
357.15988	1.0
407.19324	0.9
433.21420	1.3
443.19373	0.8
445.20993	0.8
459.18546	1.3
459.79428	0.6
461.20593	4.3
500.56097	0.9
583.31097	2.7
597.29144	1.6
601.32385	2.6
615.30859	3.5
615.38904	0.7
616.30322	1.2
627.37506	1.7
643.33264	0.9
651.30432	4.6
652.31152	1.1
669.31268	7.4
670.31818	1.8
687.32410	100.0
688.32709	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	687.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01779	0.2
57.03329	0.5
59.01258	4.1
66.83220	0.1
69.03333	0.5
69.65018	0.6
69.65443	0.6
71.01264	20.7
72.01623	0.2
72.99191	0.5
73.02825	1.2
75.00745	0.4
79.95615	5.5
80.23780	0.2
80.96404	17.2
83.01291	0.4
85.02840	6.3
87.00763	3.7
89.02304	0.2
95.01267	1.1
96.95905	14.1
98.19968	0.5
99.00767	0.3
99.47601	0.1
101.02335	0.2
103.00268	3.0
111.00723	0.2
113.02351	10.2
115.00276	16.7
116.00613	0.4
122.97480	0.6
129.01828	0.4
131.03380	0.2
138.96992	4.7
150.97041	0.3
151.36852	0.2
152.01094	0.2
157.01358	2.3
165.50374	0.2
166.96509	2.6
174.97031	0.5
175.02426	26.0
176.02788	0.9
192.98083	5.8
210.99124	1.0
215.07297	0.1
225.17874	0.2
226.98598	0.3
236.97054	0.6
254.98178	100.0
255.98479	3.4
268.04099	0.2
269.04510	0.2
448.75375	0.2
687.21600	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.4
55.45178	0.3
57.03334	1.0
59.01265	8.1
67.95325	0.3
69.03346	3.9
71.01268	6.1
71.01662	0.4
71.04898	1.7
72.99220	0.5
73.02837	1.2
75.00760	0.8
76.98426	0.4
78.95776	0.6
80.02575	0.6
81.03339	2.2
83.01315	0.7
83.04903	1.7
84.02063	0.4
85.02813	1.6
87.00768	1.2
89.02339	2.7
89.36159	0.3
91.51218	0.3
93.03362	0.5
95.01273	0.7
95.04895	0.7
96.95899	1.4
97.02851	3.4
97.06483	1.1
99.00791	1.2
99.04430	0.5
101.02345	3.6
107.04911	0.7
109.02857	0.5
109.06503	15.8
110.03635	1.2
111.04459	0.4
113.02369	2.3
119.03408	0.8
121.06514	1.3
123.04453	0.5
123.08079	1.4
125.02415	0.6
125.09650	3.9
133.06509	0.4
135.04390	0.7
135.08069	2.5
135.11884	0.3
136.05240	0.7
137.09702	0.6
142.02644	1.5
143.03464	0.4
149.09608	0.5
151.11215	2.3
153.12791	1.1
161.02400	0.7
161.04517	1.0
161.09669	4.3
163.11238	9.0
164.11497	0.4
171.10249	0.9
179.10738	8.3
179.12219	0.7
181.12297	3.3
185.11783	1.1
187.09612	0.5
189.09230	0.6
197.11815	59.4
198.12138	2.9
207.10246	22.0
208.10605	1.3
209.11856	2.2
217.12254	0.4
219.10306	0.5
221.11734	0.4
223.09767	1.1
223.13373	0.6
225.11339	10.9
226.11800	0.7
235.08147	0.5
235.13353	0.8
237.11336	0.5
241.10817	3.4
243.12251	0.5
253.09291	2.8
299.15289	0.3
387.22098	0.5
405.22842	0.5
451.50006	0.4
459.18826	0.9
461.20486	1.0
477.20038	2.0
481.41199	0.4
523.29297	0.5
565.28302	0.4
623.30847	1.0
641.31958	0.9
667.29761	1.5
685.30884	100.0
686.31281	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	683.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02728	0.9
52.71086	1.0
57.03327	4.0
59.01265	8.9
61.98702	3.9
65.30846	1.0
66.62844	1.0
67.48641	0.9
69.03317	0.9
69.63369	5.5
69.63775	1.5
71.01282	5.6
78.95786	2.0
83.04898	2.1
85.02810	1.3
89.02324	3.9
95.04916	1.5
97.06492	14.3
101.02351	3.9
102.42545	0.9
105.28239	1.0
113.02380	1.5
119.03405	1.3
123.08092	6.9
125.09641	100.0
126.10001	4.8
129.44733	0.9
138.35394	0.9
139.30852	0.9
142.23119	0.9
143.10698	2.0
169.08699	2.5
187.09721	75.8
188.10078	3.5
207.10387	1.1
223.13533	1.1
225.11200	1.2
250.79497	1.0
253.09395	2.3
255.23361	1.9
261.13345	1.8
277.21771	16.2
278.22092	2.7
405.17773	3.5
423.18881	13.8
513.67151	1.0
639.68152	1.1
683.40222	95.4
684.40546	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.4
59.01261	4.8
65.00201	0.4
68.99699	0.6
69.24671	3.3
69.25079	0.9
71.01268	5.9
72.99187	0.5
73.02827	0.7
75.00766	1.5
78.95785	0.4
83.01269	0.4
85.02845	0.8
87.00753	0.6
89.02334	2.4
91.05444	0.7
93.03368	0.6
94.02902	0.7
97.06486	1.2
99.00762	1.2
101.02338	2.7
105.41686	0.3
107.04922	1.1
108.02081	8.7
109.02864	18.4
110.03228	0.4
113.02360	1.7
117.03353	0.8
119.03429	0.7
119.04919	1.9
121.02869	8.1
124.01607	0.7
125.02367	1.1
129.03395	0.8
133.02905	2.1
134.03706	2.0
135.04445	35.7
135.83650	0.3
136.04860	1.5
137.02367	1.2
138.05495	0.5
145.02893	3.5
147.04443	6.9
148.05280	3.5
149.02455	0.5
149.06021	1.4
150.03171	1.2
151.00397	0.7
151.03929	1.6
155.08266	0.7
161.02345	0.9
161.04434	0.6
162.03265	1.0
163.03954	21.8
164.04327	1.0
173.02385	4.4
174.03142	0.8
175.03943	0.6
177.01883	0.7
177.09084	0.5
178.02629	1.1
178.84032	0.4
179.03470	1.0
179.05609	0.4
183.13969	0.6
191.03464	100.0
192.04195	19.0
193.04967	3.2
195.13870	1.6
205.08707	1.4
205.12299	0.9
223.13379	8.3
235.02386	0.6
263.12952	0.5
269.12903	0.4
271.09756	1.8
275.09348	0.8
285.04114	15.4
286.04398	1.6
289.10867	14.2
290.11206	1.0
293.10284	1.2
307.11917	18.7
308.12259	2.1
333.09854	1.6
351.10889	1.8
395.09854	3.6
397.13583	5.8
415.14722	2.1
421.17889	0.7
519.31543	1.8
621.27582	2.7
637.34381	0.7
681.37115	2.8
682.32330	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.1531
Annotation	Luteolin 7-(6''-malonylneohesperidoside)
Peak:m/z	Relative Intensity
50.25889	0.2
51.79769	0.2
57.03325	0.4
59.00991	0.3
59.01267	3.6
59.57933	0.2
63.02279	0.7
65.00202	0.5
71.01266	2.8
72.99189	0.4
75.00762	0.7
83.01264	0.5
85.02850	2.8
85.06483	0.7
87.00774	0.8
89.02324	0.5
89.33494	0.2
95.01269	0.8
96.95885	0.2
99.00777	1.3
103.00253	0.4
105.03339	0.4
107.01311	1.2
109.02885	0.5
113.02365	1.8
113.05982	0.8
115.00291	0.2
117.01855	0.5
121.02879	0.4
129.01776	0.3
131.07076	4.6
133.02872	4.7
149.02411	1.5
151.00304	3.3
159.04352	0.2
171.04512	0.3
173.08142	1.3
175.02473	0.3
175.03906	1.9
185.05966	0.2
189.05594	0.2
197.06094	0.4
198.03223	0.3
199.03958	1.8
201.01915	0.7
213.05560	0.5
217.05031	1.0
229.04868	0.2
229.09894	0.3
229.77531	0.2
229.79951	0.2
241.05080	0.7
243.03056	0.7
245.09274	0.2
257.04523	0.5
267.02881	0.3
268.03955	0.3
273.12454	0.3
277.09268	0.2
282.87067	0.2
284.03342	0.5
285.04102	100.0
286.04443	7.5
297.04047	0.3
317.11322	0.3
327.05176	1.0
335.12610	0.9
355.04453	0.3
357.06232	0.8
369.06509	0.2
381.06372	0.2
435.84781	0.2
461.07361	40.4
462.07800	4.3
473.10648	0.4
488.19330	0.2
600.99188	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59513	0.1
58.02862	0.2
59.01260	0.8
71.01261	0.4
73.02837	0.2
75.00768	0.2
80.04926	0.2
80.17422	0.1
81.03345	7.1
82.03664	0.2
83.01228	0.1
83.04913	18.9
84.05247	0.4
85.02836	0.1
89.02345	0.1
89.05975	0.1
93.31635	0.1
98.20556	0.2
100.07567	0.2
101.02334	0.2
107.06046	0.4
108.04433	0.5
113.02368	0.1
119.03423	0.1
121.02839	0.1
125.07119	1.1
126.05521	0.5
130.95755	0.1
134.06033	0.1
141.01637	0.2
143.08191	0.7
157.13457	0.2
161.04471	0.1
170.54111	0.1
183.14963	0.1
192.97716	0.1
197.16440	0.1
199.18127	0.2
207.15005	1.5
208.13423	0.1
222.16115	0.2
224.17685	3.4
225.16080	16.0
226.16399	0.9
229.14366	0.1
242.18726	0.9
250.15614	0.2
268.16641	0.2
290.22473	0.3
291.20776	0.2
307.23984	0.1
308.23605	0.1
309.21841	0.9
324.26578	0.8
333.23059	0.9
334.21262	0.1
339.27579	0.2
341.29285	1.2
342.29541	0.1
351.24057	0.3
367.27197	1.3
368.27679	0.1
379.16162	0.2
385.28424	0.5
389.25211	0.1
390.31305	0.1
407.33997	0.4
433.31836	1.5
434.32373	0.2
450.34668	1.8
451.32971	7.8
452.33081	0.9
468.35831	0.1
527.17566	0.1
532.39203	0.1
533.41138	0.1
535.30872	0.1
550.43622	1.1
551.43402	0.2
557.21631	0.1
559.40063	0.4
560.39771	0.1
565.44745	0.3
567.46008	0.2
593.44153	0.5
600.30164	0.1
633.33759	0.3
633.46820	0.1
659.48724	1.6
660.49225	0.5
677.49792	100.0
678.50104	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	677.4962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59513	0.1
58.02862	0.2
59.01260	0.8
71.01261	0.4
73.02837	0.2
75.00768	0.2
80.04926	0.2
80.17422	0.1
81.03345	7.1
82.03664	0.2
83.01228	0.1
83.04913	18.9
84.05247	0.4
85.02836	0.1
89.02345	0.1
89.05975	0.1
93.31635	0.1
98.20556	0.2
100.07567	0.2
101.02334	0.2
107.06046	0.4
108.04433	0.5
113.02368	0.1
119.03423	0.1
121.02839	0.1
125.07119	1.1
126.05521	0.5
130.95755	0.1
134.06033	0.1
141.01637	0.2
143.08191	0.7
157.13457	0.2
161.04471	0.1
170.54111	0.1
183.14963	0.1
192.97716	0.1
197.16440	0.1
199.18127	0.2
207.15005	1.5
208.13423	0.1
222.16115	0.2
224.17685	3.4
225.16080	16.0
226.16399	0.9
229.14366	0.1
242.18726	0.9
250.15614	0.2
268.16641	0.2
290.22473	0.3
291.20776	0.2
307.23984	0.1
308.23605	0.1
309.21841	0.9
324.26578	0.8
333.23059	0.9
334.21262	0.1
339.27579	0.2
341.29285	1.2
342.29541	0.1
351.24057	0.3
367.27197	1.3
368.27679	0.1
379.16162	0.2
385.28424	0.5
389.25211	0.1
390.31305	0.1
407.33997	0.4
433.31836	1.5
434.32373	0.2
450.34668	1.8
451.32971	7.8
452.33081	0.9
468.35831	0.1
527.17566	0.1
532.39203	0.1
533.41138	0.1
535.30872	0.1
550.43622	1.1
551.43402	0.2
557.21631	0.1
559.40063	0.4
560.39771	0.1
565.44745	0.3
567.46008	0.2
593.44153	0.5
600.30164	0.1
633.33759	0.3
633.46820	0.1
659.48724	1.6
660.49225	0.5
677.49792	100.0
678.50104	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	675.3608
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.4
57.03337	1.4
58.00477	2.2
59.01262	43.4
60.01605	0.6
61.98718	0.7
67.01783	0.2
68.99697	0.6
69.03339	2.8
71.01267	42.9
72.01613	0.7
72.99194	3.3
73.02831	6.6
75.00759	1.2
78.95792	3.3
81.03358	1.6
83.01272	4.8
83.04922	0.5
85.02840	8.8
85.99978	0.3
87.00768	9.2
87.04400	0.2
88.01126	0.2
89.02334	34.7
90.02684	0.5
91.03906	0.7
93.03343	0.4
95.01279	3.1
95.04951	0.3
96.96832	0.2
97.02851	7.1
97.06411	0.2
98.03211	0.2
99.00778	2.8
99.04410	0.6
101.02343	35.0
102.02699	0.5
102.89632	0.2
103.00282	0.3
103.03934	0.5
109.02872	0.8
109.06455	0.2
111.00781	0.6
111.04439	1.2
112.01595	0.3
113.02353	17.2
114.02689	0.5
115.03912	1.2
119.03413	10.0
120.58345	0.2
121.02859	0.7
121.42072	0.2
123.00829	0.3
123.04417	0.6
124.01553	0.3
125.02364	14.3
126.02716	0.5
127.03923	0.5
127.07561	0.2
129.01884	0.3
131.03424	1.6
133.04988	1.3
137.02359	0.2
139.03929	1.0
141.01845	0.8
143.03433	6.4
144.03773	0.2
145.04996	0.2
149.04510	1.2
151.03976	0.3
152.99504	1.5
157.05013	0.4
161.04497	8.0
161.05849	0.4
162.04808	0.3
167.03427	0.7
169.05013	0.4
171.02950	0.3
179.05571	7.1
180.06055	0.2
185.04552	0.8
199.06157	0.5
201.11214	0.2
203.05573	0.4
209.11855	0.6
217.07130	1.4
219.05034	0.4
221.06656	2.9
229.16586	0.2
233.22820	0.5
235.08234	15.8
236.08583	0.7
245.06734	0.9
253.09309	4.1
254.09721	0.2
259.20679	0.6
263.07742	1.9
264.08066	0.2
275.20331	0.4
277.09598	1.1
277.21762	100.0
278.22110	10.4
287.07785	4.0
291.23422	0.3
295.22806	0.5
305.08807	4.4
306.09241	0.4
319.22903	0.3
323.09793	2.0
324.10730	0.3
361.11447	0.6
379.12527	1.6
397.13565	92.7
398.13913	8.9
415.14642	38.6
416.14865	3.4
652.96216	0.2
657.34436	0.5
668.67462	0.2
675.34753	1.9
676.35870	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3249
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71973	0.6
55.01748	0.6
55.68589	0.5
57.03331	2.5
59.01263	7.2
61.98711	1.6
62.15518	0.6
69.03343	1.0
69.40018	5.3
71.01270	8.1
71.04915	0.9
72.99194	1.3
73.02834	1.6
77.14646	0.5
77.63138	0.6
78.95792	0.9
79.01987	0.6
80.02567	1.4
81.03326	1.8
83.01285	1.2
83.04906	4.7
84.02054	0.6
85.02839	2.2
87.00762	1.7
89.02335	3.5
95.01237	0.5
95.04911	1.3
96.95921	5.1
97.06474	2.4
98.95515	1.0
99.00817	0.5
101.02345	6.4
109.06495	0.8
113.02381	3.9
116.92786	0.9
119.03368	1.2
123.08067	1.4
125.02364	1.3
125.09626	3.8
127.11208	0.8
127.82165	0.5
135.08046	0.9
139.11200	2.2
141.12759	1.3
143.03432	0.7
149.04492	0.5
151.07607	0.8
151.11176	0.8
161.02415	0.6
161.04506	1.3
161.29739	0.5
163.11229	4.4
165.12785	1.9
167.10738	4.3
169.12294	3.1
171.10254	4.5
179.10889	0.5
181.12286	0.8
185.11800	67.7
186.12178	3.6
191.10699	1.3
192.11079	0.6
197.11736	1.6
199.13326	1.1
201.11298	1.7
209.11821	61.7
210.12167	9.2
211.12456	1.8
225.11285	1.1
227.12869	9.3
228.13239	2.5
229.10765	1.6
229.13297	1.1
235.08179	1.7
253.09280	4.6
283.02505	1.1
284.03229	1.0
301.12137	0.8
319.17703	1.2
446.20682	0.7
447.08649	0.6
465.19949	2.8
495.17108	0.6
603.29999	1.2
613.39282	0.8
631.40204	1.6
639.31537	0.7
657.31512	3.6
675.32410	100.0
676.32745	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	675.3248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31325	0.5
57.03319	0.8
58.27412	0.6
59.01262	16.4
61.98709	1.6
66.29843	0.7
67.84837	0.5
69.03325	0.9
69.31017	6.1
71.01266	4.3
73.02838	1.5
75.00753	1.6
78.95805	0.9
81.03339	1.5
83.01263	0.9
83.04912	1.7
85.02852	1.6
87.00761	1.0
89.02354	2.6
96.95910	1.2
97.02846	2.9
98.20578	1.3
99.00771	1.3
101.02330	5.1
107.04926	0.9
109.06503	17.9
110.06833	0.7
113.02338	3.4
114.44560	0.6
119.03447	0.7
121.06509	0.9
125.02376	0.6
125.09660	1.6
127.11199	1.9
135.08060	2.3
136.05249	0.8
142.02647	0.9
153.09053	0.7
161.04546	1.7
161.09653	0.8
163.11241	10.6
164.11531	0.9
168.21875	0.5
169.12219	1.0
171.10216	100.0
172.10555	4.3
181.12344	2.9
185.11790	1.2
189.09198	2.3
193.08556	0.6
197.11792	14.9
198.12123	0.5
207.10243	53.4
208.10612	4.1
209.11821	11.6
210.12132	1.2
225.11322	20.2
226.11642	1.6
227.12843	2.5
231.38252	0.5
235.08267	3.8
239.96577	0.6
253.09299	10.4
259.64856	0.6
270.77811	0.6
281.13791	0.6
281.33865	0.6
286.58923	0.5
299.15005	1.0
317.21362	0.9
333.20630	0.9
335.22226	0.7
361.20129	1.1
379.21729	0.9
407.19421	3.7
433.21072	1.6
443.19229	5.0
461.20389	7.5
462.20697	1.1
569.30048	1.6
589.29156	0.8
597.29291	9.6
598.29767	2.2
615.30316	26.7
615.40546	1.3
616.30969	4.4
675.26898	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3453
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.2
58.00470	0.1
59.01261	2.1
59.82606	0.1
60.90515	0.1
69.03330	0.2
70.90363	0.3
71.01266	1.7
72.99210	0.2
73.02800	0.3
79.26996	0.1
80.02551	1.2
81.03349	1.2
83.01270	0.2
83.04916	4.6
84.02052	0.8
84.05238	0.1
85.02834	0.4
87.00755	0.3
88.77563	0.1
89.02332	1.2
93.03358	0.2
95.04933	0.7
97.02842	0.2
97.06481	0.2
98.67275	0.1
101.02344	1.4
109.06509	0.3
113.02348	0.8
119.03442	0.2
125.05975	0.5
125.09614	0.4
135.08073	0.5
145.04959	0.1
147.11707	0.3
161.04506	0.7
163.11229	4.2
164.11572	0.3
165.12785	2.2
166.13139	0.1
171.10213	1.6
181.12326	0.5
185.11784	0.2
191.10753	1.2
207.10193	0.2
209.11810	100.0
210.12148	7.3
221.11769	0.3
227.12883	12.1
228.13167	1.0
235.08264	1.4
247.13394	0.9
249.14993	0.2
253.09305	5.2
254.09708	0.2
265.14502	0.4
401.23468	0.3
419.24625	0.2
445.20837	0.7
463.21732	0.1
530.27264	0.1
611.30658	0.2
637.32300	0.7
655.33344	0.2
682.14801	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	673.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41445	0.1
53.60191	0.1
55.01772	0.2
59.01260	1.9
69.03346	0.1
69.31542	1.0
69.31963	0.2
71.01266	1.9
73.02827	0.3
80.02557	0.9
81.03339	1.0
83.01308	0.3
83.04910	4.2
84.02042	0.8
85.02844	0.4
87.00771	0.3
89.02330	0.8
93.03352	0.2
95.01255	0.1
95.04916	0.6
95.05453	0.1
96.99947	0.1
97.02855	0.1
101.02337	1.5
109.06464	0.2
113.02351	0.7
115.49533	0.1
119.03403	0.2
123.08106	0.2
125.05995	0.4
125.09651	0.2
135.08080	0.6
143.03455	0.1
145.04984	0.2
147.11766	0.2
161.04492	0.7
163.11238	3.0
164.11496	0.2
165.12781	1.8
166.13162	0.1
169.29965	0.1
171.10217	1.8
173.09641	0.1
179.05557	0.2
181.12332	0.5
185.11818	0.2
191.10738	0.8
199.13377	0.2
209.11810	100.0
210.12152	6.2
221.11732	0.3
223.13457	0.2
227.12880	13.7
228.13249	1.1
235.08234	1.8
239.12875	0.1
247.13490	0.9
253.09306	6.1
254.09708	0.3
263.15817	0.1
265.14536	0.2
269.04617	0.2
359.50842	0.1
401.23499	0.2
419.24139	0.2
445.20963	1.1
463.21799	0.3
611.30389	0.2
629.32013	0.2
637.32513	0.7
638.32465	0.1
655.33557	0.3
673.34460	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.2363
Annotation	CHEBI:72479
Peak:m/z	Relative Intensity
55.01775	0.6
57.03346	1.0
59.01254	4.3
69.70469	3.0
69.85428	0.6
71.01268	4.7
72.99199	1.1
73.02837	9.8
75.00757	1.3
83.01288	0.5
85.02842	3.3
87.00779	0.4
89.02328	0.9
95.01289	1.7
96.95913	2.0
99.00790	1.4
101.02341	1.7
108.02074	53.2
109.02898	10.5
113.02340	2.6
119.04952	0.6
121.02880	1.4
122.05972	0.4
123.00827	1.0
123.04462	0.7
124.18602	0.4
125.02380	0.5
125.09637	1.6
126.09892	0.5
133.02899	0.5
135.04436	1.2
139.11185	3.2
144.15771	0.5
151.00288	0.5
151.03952	1.0
152.01091	100.0
153.01855	6.9
161.04506	1.3
163.03955	4.2
165.09186	0.6
177.01901	1.5
179.03487	1.0
181.12283	2.3
183.10263	3.6
199.13400	2.1
205.04904	0.5
207.03011	0.7
225.11281	1.4
243.12392	3.6
269.04507	0.5
271.08255	0.5
297.06161	0.7
315.07300	2.4
317.62479	0.5
327.02072	0.5
385.11389	0.5
400.47946	0.5
403.12186	0.5
429.10446	9.4
447.11530	13.3
448.11798	1.4
474.42099	0.6
517.17963	0.5
599.20367	1.0
611.23529	0.8
613.20966	0.6
629.24829	3.7
630.25122	1.1
644.34058	0.5
655.22803	0.7
673.23621	97.2
674.23914	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	671.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40566	1.1
53.41550	1.0
59.01262	32.8
61.98715	6.2
70.80513	2.5
70.80849	1.1
71.01267	3.7
75.00737	1.2
78.95792	15.3
80.02579	1.8
80.46047	0.9
81.03352	1.1
83.01287	1.4
83.04912	4.6
84.87244	1.1
85.02841	1.7
89.02345	1.3
93.56779	1.0
95.04900	1.5
95.68673	1.0
96.96864	1.3
97.02869	1.8
101.02336	1.8
109.06500	8.6
113.02393	1.8
118.59703	0.9
119.03413	1.1
125.09581	2.6
129.09140	4.1
135.08043	1.8
141.09122	2.0
152.99541	8.6
155.10721	3.5
161.04504	1.3
163.11212	7.1
164.11540	1.5
165.12790	2.6
171.10239	6.6
181.12358	2.7
185.11812	8.8
193.12286	1.4
197.11810	6.9
207.10248	22.6
208.10606	1.9
209.11813	100.0
210.12180	5.5
225.11337	18.5
227.12881	17.7
228.13245	1.5
235.08252	2.0
253.09282	3.4
255.23328	2.4
291.19635	8.7
309.20737	13.9
327.21854	20.6
328.22348	1.7
353.78131	1.3
361.10623	3.2
383.24277	1.2
409.65460	1.5
417.23062	2.3
443.19211	2.3
445.20169	2.0
449.25601	1.3
461.20325	4.4
574.85614	1.4
593.37128	2.9
611.37439	2.1
635.30963	2.9
636.30334	1.3
639.24469	2.6
653.31732	4.9
654.32135	1.8
671.32800	17.1
672.33649	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	671.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
59.01262	4.5
61.98705	1.0
62.39067	0.3
63.02263	0.4
65.00204	1.8
69.03344	0.5
71.01270	3.4
71.56676	0.5
72.99185	1.0
73.02827	1.1
75.00777	1.9
78.95777	1.1
80.14127	0.3
81.03344	0.3
82.28122	0.3
82.58078	0.3
83.01266	1.1
83.04895	0.5
85.02839	2.2
87.00760	1.6
89.02314	1.1
95.01286	0.4
96.95919	1.8
97.02832	0.5
97.06490	0.8
99.04404	0.7
101.02333	1.2
107.01280	2.3
108.63041	0.3
109.06482	1.2
111.08061	0.7
113.02370	2.2
119.03410	0.5
120.60775	0.3
121.06497	1.6
122.03629	1.3
123.04408	1.2
123.08066	1.0
125.02370	5.7
125.09648	0.4
127.11167	0.5
135.04405	1.2
136.05228	24.5
137.05876	1.3
137.09610	0.8
141.01573	0.9
147.08081	0.8
148.05205	1.1
149.06042	4.9
150.06799	14.1
151.00299	9.1
151.07384	0.8
152.00829	0.4
155.10681	0.6
161.02361	0.8
162.06821	1.2
163.07622	2.9
163.11203	1.0
164.04674	0.5
164.08377	4.2
165.01843	0.4
165.09158	22.5
166.09483	1.2
167.03394	1.5
171.10194	0.8
172.05307	0.3
175.03888	0.5
178.09915	0.4
179.07133	0.6
179.10735	9.2
181.12268	0.4
186.06651	0.4
187.04138	0.6
189.09061	0.4
200.04741	0.5
201.11310	0.4
202.06389	0.4
207.10258	1.7
209.10107	0.5
209.11823	4.5
225.11293	2.9
227.12891	0.9
230.11635	0.4
235.08156	0.4
240.04361	0.8
253.05118	0.4
253.09375	0.7
255.23320	0.9
256.03870	0.5
257.13831	0.6
261.18750	0.5
283.02335	0.5
284.03271	2.6
285.04041	0.6
287.55243	0.4
289.18347	0.6
292.16791	1.2
306.18207	0.4
307.19241	3.1
308.03418	0.4
309.04166	1.9
315.15866	0.7
321.20847	0.5
322.04834	0.6
325.14423	1.5
336.19492	0.8
343.15329	0.9
343.21295	5.7
344.21671	0.9
351.12695	0.5
364.22546	1.0
367.15506	0.9
369.13486	2.6
416.09515	0.4
427.28073	0.5
433.12683	1.6
451.14114	3.6
452.14621	0.5
463.30746	10.6
464.31091	1.5
465.32449	0.7
477.15652	1.7
478.15793	0.4
490.29507	0.6
491.29535	1.9
494.32443	1.2
495.16724	39.6
496.17038	6.9
508.30753	2.3
509.31396	17.2
509.34537	14.7
510.31427	2.4
510.34995	1.6
590.31744	0.5
635.31152	0.7
653.19128	0.4
653.31787	0.8
671.20471	7.2
671.36627	100.0
672.20453	1.9
672.36987	19.5
680.57727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.8
57.03335	1.1
58.00503	0.5
59.01262	10.8
67.39166	0.3
71.01273	6.7
72.99193	0.5
73.02842	1.5
75.00771	0.8
77.14499	0.3
77.58648	0.3
78.95798	0.8
80.02569	2.4
81.03346	3.4
82.75200	0.3
83.01290	1.3
83.04916	7.0
83.05383	0.6
84.02076	1.7
85.02843	4.3
87.00775	1.9
89.02337	3.4
93.03374	1.3
95.01295	1.2
95.04909	1.1
97.02843	5.1
97.06493	0.8
99.00771	3.3
101.02334	5.8
106.04163	0.6
107.04930	0.8
109.06502	18.8
110.03641	1.3
110.06835	0.7
111.00801	0.5
111.04409	0.9
113.02354	7.4
118.64522	0.4
119.03419	1.1
121.06512	1.7
121.64678	0.3
123.04422	0.4
123.08059	1.0
125.02361	0.7
125.06033	1.1
125.09648	3.3
129.01846	0.6
133.06511	0.4
135.08093	3.0
136.05225	1.2
137.05927	0.4
138.07422	0.3
142.02626	1.6
143.03474	0.5
145.04948	0.5
145.10170	0.5
152.99495	0.4
161.04500	1.7
161.09668	1.6
163.11234	15.5
164.11598	0.9
165.12796	2.5
171.10248	3.2
175.02383	1.7
177.12810	0.4
179.05602	0.6
179.10733	0.9
181.12297	5.1
182.12630	0.4
184.12239	0.3
185.11787	2.8
187.09756	0.3
189.09232	1.6
191.10747	1.2
196.71223	0.4
197.11856	0.5
199.13402	0.7
201.11310	1.0
207.10248	55.5
208.10588	3.0
209.11809	100.0
210.12134	5.4
211.13457	0.4
213.08942	0.4
217.12508	0.6
221.11806	1.0
223.13373	0.8
225.11320	38.3
226.11685	2.2
227.12874	13.6
228.13223	1.1
231.10249	1.1
235.08247	3.9
235.13374	0.5
239.12776	0.3
243.12341	1.9
245.11853	0.9
247.13452	1.0
249.11372	0.9
253.09341	8.9
254.09647	0.4
255.03001	1.8
255.23273	0.8
256.03763	3.3
263.12933	1.4
265.14514	1.0
279.22998	0.4
281.13821	0.4
283.02518	3.3
284.03305	11.5
285.03867	1.7
297.03812	0.4
299.15009	1.0
355.22922	0.9
373.23862	1.3
381.20795	0.5
389.23587	0.5
399.21811	5.2
399.33627	0.3
400.22226	0.7
407.24313	0.6
415.22421	0.4
417.22913	5.2
435.23965	1.2
443.19318	3.0
444.19464	0.5
445.20987	1.1
459.05621	0.4
461.20383	13.2
462.20776	1.1
463.21777	0.6
485.20053	0.7
491.26898	0.6
495.16675	4.3
544.36090	0.5
609.30371	0.5
625.32141	0.7
627.30164	1.1
635.30774	11.3
636.30933	1.8
653.20660	0.5
653.31860	15.4
654.32227	3.1
671.20490	1.8
671.32831	28.0
672.33319	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	671.33
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.6
56.12963	0.3
57.03332	0.5
58.00465	0.3
59.01264	9.8
64.97890	0.3
65.03842	0.6
67.56788	0.4
69.03336	0.4
70.70334	0.3
71.01270	6.0
71.04888	0.4
72.99162	0.3
73.02844	0.9
75.00744	0.5
80.02569	2.4
81.03346	4.0
83.01286	1.3
83.04916	7.3
84.02059	1.2
85.02832	2.3
87.00771	1.4
89.02341	3.6
93.03345	1.4
95.01289	0.5
95.04935	1.6
97.02856	4.5
97.06477	0.9
99.00776	1.3
101.02338	4.8
101.02938	0.5
107.04941	0.9
109.02777	0.3
109.06500	21.0
110.03662	1.5
110.06825	0.5
111.04440	0.8
111.08033	0.3
113.02361	2.4
119.03402	0.9
121.06537	1.5
123.04443	0.5
123.08069	0.4
125.06016	0.8
125.09630	2.2
135.08098	3.3
136.05240	1.2
142.02658	1.5
143.03430	0.5
145.05016	0.8
145.10150	0.7
149.09625	0.3
151.07584	0.5
161.04570	1.4
161.09657	1.7
163.11235	15.5
164.11551	0.6
165.12810	2.5
171.10231	2.9
179.05566	0.5
179.10747	0.4
181.12317	3.7
185.11804	2.4
187.09735	0.8
189.09175	1.4
191.10736	1.3
201.11226	0.6
201.12872	0.4
205.12401	0.4
207.10249	58.5
208.10602	2.9
209.11815	100.0
210.12160	5.6
211.13300	0.5
213.09232	0.6
217.12338	1.0
221.11784	1.0
223.13371	0.7
225.11324	25.9
226.11589	1.4
227.12878	15.0
227.16197	0.4
228.13223	0.9
231.10272	0.9
235.08211	3.6
235.13431	0.6
243.12276	0.7
245.11879	0.7
247.13361	1.3
249.11295	1.6
251.12979	0.4
253.09329	11.3
254.09715	0.8
256.03848	0.4
263.12881	1.5
265.14526	1.2
281.14197	0.3
284.03436	1.5
299.15134	0.5
337.21573	0.4
355.22818	0.7
373.19867	0.5
373.23947	1.2
381.20688	0.5
389.23480	0.7
394.42325	0.3
399.21860	6.4
400.21930	0.8
405.17749	0.5
417.22845	6.3
418.23135	0.6
435.23889	0.8
443.19458	3.3
445.20892	0.9
461.20364	9.3
462.20599	0.8
485.20538	0.9
491.26663	0.6
495.16553	0.7
499.22012	0.4
509.27661	0.6
609.29449	0.6
625.32208	0.6
627.30646	1.0
635.30859	13.7
636.31592	1.9
653.31940	16.1
654.32477	2.6
671.32990	28.9
672.33246	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	671.3301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07016	0.3
55.01775	0.8
57.03339	1.0
59.01263	8.8
69.03353	0.6
71.01275	7.2
71.04917	0.8
72.99201	0.6
73.02844	1.3
75.00780	0.6
78.95810	0.6
80.02570	1.5
81.03350	2.6
82.39033	0.3
83.01292	1.6
83.04914	5.9
83.05372	0.4
84.02065	1.2
85.02839	3.4
86.13711	0.4
87.00759	1.9
89.02349	2.9
93.03377	1.4
93.04974	0.3
95.01291	0.9
95.04940	1.5
96.95946	0.4
97.02848	4.4
97.06493	1.1
98.23699	0.4
99.00782	3.5
101.02344	4.3
106.04111	0.4
109.06503	16.4
110.03622	1.2
110.06833	0.7
111.04443	0.8
111.08071	0.4
113.02357	6.5
117.01879	0.4
119.03401	1.1
121.06517	1.1
123.04420	0.4
123.08085	0.9
125.02336	0.8
125.06042	0.6
125.09649	3.2
129.01897	0.6
135.08081	3.5
136.05212	0.9
142.02652	1.2
145.05022	0.5
151.00327	0.4
161.04567	1.9
161.09708	1.4
163.11232	14.9
164.11559	0.5
165.12801	2.5
171.10223	3.3
175.02420	1.5
179.10748	0.9
181.12303	6.0
185.11804	2.3
187.09740	0.7
189.09200	1.5
191.10767	1.4
199.13368	0.7
201.11313	1.4
205.12405	0.4
207.10251	54.6
208.10567	3.0
209.11812	100.0
210.12164	6.1
211.13428	0.4
217.12294	0.5
221.11748	0.6
223.13353	0.6
225.11322	45.3
226.11723	2.8
227.12886	15.6
227.15150	0.6
228.13179	0.8
231.10222	0.8
235.08217	3.8
237.14856	0.4
243.12430	2.4
245.11876	0.7
247.13486	0.8
249.11319	1.3
253.09344	8.4
255.03120	1.0
255.23314	0.4
256.03879	2.1
263.12894	1.2
265.14447	1.0
281.13818	0.5
283.02533	2.1
284.03305	8.1
285.03830	1.1
297.03979	0.5
299.15015	0.8
345.62643	0.4
355.22815	0.9
373.23898	1.0
381.20801	0.6
389.23148	0.4
391.25171	0.4
399.21844	4.3
400.22037	0.5
407.24625	0.5
417.22955	4.7
418.22980	0.6
435.23840	1.0
443.19266	3.5
445.20657	0.6
460.06595	0.5
461.20349	13.1
462.20804	1.8
491.26691	0.5
495.16675	2.2
496.17105	0.7
609.32288	0.6
617.15173	0.4
625.31958	0.6
627.30353	1.1
635.30939	9.8
636.31482	1.6
653.20807	0.6
653.31866	16.8
654.32147	3.4
671.20782	1.5
671.32855	26.4
672.21747	0.4
672.33154	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	671.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36772	0.3
55.01759	0.3
57.03334	1.0
57.91666	0.2
59.01268	2.5
68.76369	0.2
69.03336	0.3
70.89760	0.6
70.90131	0.6
71.01273	5.0
71.48152	0.3
72.99199	1.0
73.02836	12.0
75.00751	0.8
78.95744	0.3
83.01280	0.7
83.04892	0.3
85.02843	3.5
85.08429	0.2
87.00768	0.6
89.02361	1.5
93.03406	0.4
95.01300	1.4
96.95914	0.7
97.02866	0.5
99.00805	2.4
99.04409	0.4
101.02335	2.8
107.04953	0.5
108.02078	48.1
109.02891	11.2
113.02359	2.8
119.04947	0.4
121.02859	0.8
121.06550	1.3
123.00798	0.8
123.04443	0.7
123.08070	1.2
125.02331	0.7
133.02867	0.4
134.03645	0.4
135.04465	1.3
137.02362	0.4
143.03374	0.4
147.04475	0.3
149.06036	0.9
151.00322	0.3
151.03943	2.1
151.04988	0.4
152.01093	94.9
153.01823	5.5
161.02374	0.4
161.04465	2.6
161.09644	1.1
163.03943	4.6
165.05573	0.3
167.07068	0.8
174.01691	0.4
175.03934	0.4
177.01901	1.4
177.05515	0.4
179.03473	1.0
179.10741	0.6
195.06630	0.3
197.11781	2.1
207.02945	1.1
219.03059	0.4
223.09789	0.9
225.05937	0.3
241.10719	0.3
271.08264	1.0
297.06253	0.6
315.07227	2.2
403.12558	1.0
403.84750	0.3
429.10443	6.0
430.10675	0.7
447.11533	26.5
448.11963	2.3
597.18640	1.1
609.22095	0.8
627.23065	2.9
627.57147	0.3
628.23267	0.7
653.20294	0.4
671.22089	100.0
672.22351	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	671.2212
Annotation	Lembehsterol A
Peak:m/z	Relative Intensity
55.01754	0.5
55.92163	0.4
57.03331	1.5
58.37488	0.4
59.00962	0.6
59.01261	11.0
69.03349	0.8
69.79031	1.6
69.79440	1.1
71.01266	3.8
72.99203	1.7
73.02835	1.3
75.00765	1.0
85.02845	4.4
85.63624	0.5
87.00739	0.6
89.02335	1.3
94.07169	0.4
95.01287	1.4
97.02827	0.8
98.19836	0.4
99.00784	1.3
99.04385	0.5
101.02351	1.3
108.02075	50.8
109.02895	10.3
113.02354	3.1
119.04973	0.7
119.08587	0.9
121.02856	0.6
123.00845	0.8
130.91397	0.5
133.02876	0.5
135.03458	0.5
135.04459	1.2
137.09647	2.1
151.00235	0.5
151.03984	1.0
152.01093	95.5
153.01857	5.7
161.04547	0.8
161.09680	0.6
163.03957	4.0
175.02467	1.0
177.01909	1.4
179.03455	1.3
179.10782	1.1
181.08704	1.6
197.11833	2.6
223.09688	0.5
241.10844	0.7
269.04568	4.5
270.05038	2.0
271.05191	1.1
271.08133	0.9
285.04037	0.7
297.06290	0.7
315.07324	2.0
347.50693	0.5
426.31485	0.5
429.10495	9.5
445.07916	0.8
446.08365	0.5
447.11801	7.0
448.11932	0.5
450.73798	0.6
521.46301	0.5
553.40210	0.6
592.35291	0.6
609.22015	0.9
611.19849	1.1
627.23328	3.0
671.22095	100.0
672.22382	14.9
672.33508	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	671.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85861	0.6
57.03238	1.1
57.03485	0.7
59.01132	10.4
59.01473	4.3
61.98604	0.5
65.00076	1.7
65.00407	1.2
65.98900	0.5
66.42538	0.5
71.01127	9.2
71.01555	2.4
71.56058	1.0
72.99076	1.5
72.99445	0.6
73.02719	1.1
73.03063	0.7
75.00630	2.2
75.01051	1.4
78.95654	2.8
80.02459	1.1
81.03220	1.4
81.03638	0.7
83.01132	2.5
83.04759	4.2
83.05293	1.3
84.01942	0.8
85.02683	5.4
85.03240	0.8
87.00606	3.1
89.02173	3.8
93.03232	1.1
93.73869	0.6
95.01112	1.8
95.04773	1.5
95.05334	0.9
96.95742	13.9
96.96426	2.2
96.96814	1.9
97.02674	2.8
97.06373	1.2
99.00612	2.3
99.04316	0.8
101.02171	5.9
107.01115	3.9
107.04789	1.1
109.06316	10.4
109.07126	1.0
111.04312	0.8
113.02166	6.8
119.03277	1.0
121.06403	1.1
124.72314	0.7
125.02163	2.4
125.09454	2.8
125.10255	0.7
134.03416	0.9
135.04277	1.2
135.07877	2.0
136.04974	0.6
142.02510	1.1
148.05003	1.1
149.02162	1.7
150.06598	1.3
151.00307	10.6
151.01378	0.8
152.99347	0.8
161.02278	0.8
161.04350	1.3
161.09470	1.2
163.11234	11.8
163.12538	1.3
165.12593	2.4
171.10219	4.8
174.03021	1.0
175.02269	1.0
177.01620	0.7
177.08989	0.7
179.05415	0.8
179.10631	1.4
181.12276	3.6
185.11572	1.9
187.09518	0.8
189.09021	1.2
191.10527	1.0
201.11087	1.9
207.10233	33.7
208.10327	1.8
209.11812	63.2
210.11923	2.4
212.04660	0.8
225.11324	32.7
226.11472	1.2
227.03271	0.8
227.12898	8.2
231.09978	0.7
235.08179	2.9
235.13153	1.0
243.12354	1.1
251.12646	0.6
253.09363	6.5
256.03592	2.2
263.12671	1.3
270.05179	2.2
283.02469	3.4
284.03317	12.9
285.03680	1.7
286.04010	0.8
296.06677	1.1
297.04080	1.7
297.14758	2.4
298.04843	6.0
309.03940	1.2
315.16095	0.7
323.05539	4.8
324.03098	0.8
324.06424	5.6
326.04282	1.8
330.03595	2.3
337.07346	7.1
338.07669	1.0
339.15945	1.1
357.17093	2.5
360.61295	0.7
373.24103	1.0
381.17029	2.5
389.23428	0.7
399.17889	2.2
399.21967	1.9
417.22943	3.2
423.17825	0.9
443.19250	3.1
449.16159	12.4
450.16229	1.9
459.14606	2.1
461.20297	8.4
467.17194	43.2
468.17532	6.7
477.15939	3.5
495.16699	100.0
496.17099	15.0
537.17889	1.4
625.32904	0.9
629.13098	0.8
635.30933	6.9
636.31366	1.4
653.20251	1.2
653.31818	11.0
654.32050	1.6
671.20337	68.3
671.32910	15.5
671.41614	7.0
672.20374	11.9
672.32428	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	671.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59072	0.3
56.78052	0.3
57.03333	2.4
57.65140	0.3
58.00487	0.5
59.01260	5.1
63.02262	0.6
65.00217	4.2
65.16624	0.3
68.99691	0.3
71.01269	4.1
71.04932	0.3
71.56963	0.5
72.99198	1.0
73.02837	0.7
75.00761	3.0
78.95794	1.1
81.03349	1.0
83.01270	2.9
83.04913	0.8
84.02004	0.4
85.02837	3.5
87.00769	1.0
89.02328	1.7
95.01297	1.0
96.00832	0.4
96.95916	1.0
97.02789	0.3
97.06571	0.3
99.00780	1.4
101.02339	1.3
103.00249	0.4
107.01295	6.2
107.65259	0.3
109.02813	0.4
109.06494	1.2
111.04384	0.5
111.08070	0.5
113.02344	3.8
121.02854	0.8
122.03674	0.5
123.04428	1.5
124.01587	0.6
125.02369	11.6
135.04440	0.6
135.85576	0.3
136.05226	5.0
137.02391	0.4
137.06075	0.8
137.09709	0.4
139.10239	0.4
141.01668	0.5
149.06003	1.2
150.06799	11.4
151.00305	22.6
151.07175	0.4
152.00691	0.5
152.99458	0.6
159.04405	0.8
161.02377	2.5
161.04475	0.5
161.09613	0.4
162.06766	0.6
163.07590	3.4
163.11253	1.2
164.08348	2.1
165.01878	0.9
165.09146	4.2
167.03471	3.0
171.10226	1.4
172.05212	0.8
173.05981	0.5
174.06813	1.0
175.02406	1.0
175.03984	0.9
178.09911	0.7
179.05576	0.4
179.10730	9.0
181.12202	0.4
184.11104	0.4
186.06825	0.7
187.03987	0.5
188.04736	0.6
189.09213	0.4
196.05292	0.8
199.03914	0.7
200.04764	1.1
200.08218	0.4
201.11320	1.0
202.06326	1.4
207.10245	3.3
209.04388	0.5
209.06134	0.6
209.11812	7.1
210.06740	0.6
210.12071	0.4
211.03862	0.3
224.04794	1.2
225.05408	0.4
225.11316	5.2
226.02663	0.6
227.03419	0.7
227.12851	1.4
238.06445	0.6
240.04367	1.7
249.05539	0.4
251.07079	0.4
253.05251	0.4
253.09268	0.8
255.02873	0.6
255.23413	0.5
256.03857	0.7
263.03629	0.5
264.04218	0.4
265.05225	0.4
266.05750	0.6
277.05090	0.5
278.05942	0.5
283.02512	0.9
284.03293	6.8
285.03922	1.0
291.06714	0.4
293.04678	0.5
294.05444	0.8
301.14484	0.4
305.04871	0.4
306.05313	0.6
307.13470	1.2
307.19348	0.6
308.03339	1.8
309.04126	7.1
310.04376	0.5
315.16284	0.8
320.20074	0.7
321.20749	1.1
322.04938	2.5
323.05573	1.9
323.13019	0.6
325.14499	3.7
334.04855	1.8
335.05453	0.8
335.22318	0.5
343.15631	2.0
343.21390	1.0
349.14551	0.4
351.05295	0.8
351.12384	1.5
351.21371	0.4
352.05914	1.3
352.12842	0.4
354.03836	1.1
364.22638	0.6
367.15579	2.6
369.13501	6.3
370.13748	0.5
383.14981	0.4
389.14096	0.5
391.15555	1.2
409.16547	1.4
433.12823	6.6
434.13281	1.0
435.14581	0.4
443.19147	0.4
451.14063	11.7
452.14563	1.6
459.14325	0.5
461.20255	1.1
463.30527	1.9
465.32211	0.4
477.15607	5.2
478.15985	1.0
483.25961	0.6
491.33911	0.5
494.32690	0.7
495.16718	100.0
496.17050	13.9
496.22672	0.3
508.34232	2.9
509.35437	19.9
510.34851	1.1
531.95361	0.4
537.17944	0.6
635.30084	0.5
642.11975	0.4
653.18988	1.0
653.31897	1.3
671.19977	21.4
671.37036	21.1
672.20306	4.5
672.37579	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	671.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	7.0
59.01265	6.6
61.98679	0.4
63.02282	1.4
63.42587	0.5
65.00210	8.7
68.49046	0.4
69.03352	0.5
71.01275	6.4
71.56082	0.9
72.98586	0.4
72.99182	0.6
73.02846	1.0
75.00762	1.9
78.95805	1.8
81.03349	1.1
83.01267	4.4
83.01628	0.4
83.04917	2.3
85.02839	5.6
87.00772	2.1
89.02356	2.4
95.01296	1.8
95.04936	0.9
95.20929	0.4
96.95911	5.5
96.96880	0.5
97.02868	1.5
97.06592	0.5
99.00784	2.1
101.02339	2.3
107.01302	7.9
109.02861	0.6
109.06497	5.0
113.02350	6.4
115.00344	0.7
117.01837	0.6
123.04445	0.9
125.02368	72.5
125.09667	0.5
126.02702	2.5
135.08078	1.1
146.99074	0.4
147.07954	0.5
149.02365	0.5
150.06833	3.0
151.00313	21.3
152.00690	0.6
152.99541	0.7
154.38145	0.4
161.02371	1.6
161.04524	1.3
161.09775	0.6
163.11221	4.8
167.03453	1.0
169.01408	0.5
171.10228	1.6
172.05260	3.2
174.03210	1.4
175.02469	1.0
179.10760	1.7
181.12350	0.7
185.06065	0.6
185.11729	1.0
186.06837	3.4
187.04077	0.8
188.04700	0.5
189.09186	0.5
201.11261	0.7
207.10248	12.9
208.10611	0.5
209.11818	25.0
210.06863	0.5
210.12227	1.2
212.04758	3.4
214.06287	0.5
224.04768	0.5
225.05470	0.6
225.11325	12.3
226.11685	0.5
227.12878	3.9
228.04320	0.6
235.08261	1.4
240.04356	0.8
244.03860	0.7
245.11931	0.7
251.12994	0.5
253.09305	3.1
255.03020	0.5
255.23369	0.7
256.03864	1.2
281.15533	1.3
283.02625	1.1
284.03299	6.8
288.35895	0.5
295.02591	0.7
296.03403	3.0
297.03961	1.1
297.15048	11.4
298.05069	0.6
298.15451	1.1
309.04068	2.5
315.16068	9.6
316.16406	0.8
325.14542	5.7
337.03668	0.8
339.15900	0.7
341.14005	4.2
343.15573	18.3
344.15924	1.5
349.14560	0.5
367.15509	5.3
368.16019	0.7
369.13474	24.2
370.13776	3.4
390.14828	0.5
391.15628	4.8
392.15836	0.9
399.22037	0.8
409.16907	0.7
417.22964	1.4
433.16681	1.7
443.19321	0.7
449.16327	3.5
451.30746	4.9
459.14804	1.1
461.20288	2.9
467.17209	7.6
468.16968	0.6
477.15646	8.4
478.15915	1.5
495.16733	100.0
496.17123	16.1
509.34686	0.8
635.30933	3.2
653.19952	1.0
653.31873	4.6
654.32300	0.6
671.20007	32.2
671.32892	6.7
672.20288	7.9
672.31854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70456	0.3
57.03349	0.7
59.01263	6.5
59.01534	0.4
61.98720	0.4
69.03339	2.3
71.01267	3.7
71.01612	0.3
71.04915	0.6
72.99204	0.4
73.02857	1.0
75.00785	0.3
78.95819	1.2
80.02593	0.9
81.03374	1.0
83.01283	0.7
83.04919	4.4
84.02063	0.6
85.02876	0.9
85.06524	0.5
87.00799	0.7
89.02338	2.6
89.96483	0.3
93.03368	0.5
95.01279	0.4
95.04934	1.1
97.02838	0.3
101.02331	3.9
107.00274	0.3
107.04932	0.3
109.06477	1.4
111.08071	0.4
113.02345	2.3
117.03407	0.7
119.03457	0.8
119.04938	4.7
121.02869	0.4
121.06547	0.3
125.02370	0.3
125.09738	0.3
133.02867	2.1
134.03659	2.1
135.04460	3.8
135.08089	0.6
136.04832	0.3
137.02383	0.5
145.02911	2.9
145.04933	0.3
147.04393	0.4
149.06078	0.3
149.09686	0.6
152.99480	1.3
161.02405	5.8
161.04393	1.5
161.13312	0.6
162.02797	0.3
163.03963	2.9
163.11215	3.6
165.12787	2.1
167.10713	3.1
169.12338	0.4
171.10225	2.6
177.12808	0.5
178.02715	0.3
179.03445	1.9
179.05635	0.5
179.10722	1.0
179.14375	3.3
181.12303	0.5
190.84851	0.3
191.10759	1.0
193.05023	1.1
195.13881	9.3
196.14175	0.5
197.11807	0.9
205.12329	10.4
206.12595	0.6
207.10219	0.9
209.11813	100.0
210.12151	5.8
223.13393	97.7
224.13757	6.6
225.11205	1.3
227.12892	16.2
228.13275	1.1
235.08235	4.5
253.09346	10.3
254.09570	0.3
255.23358	1.7
261.15012	2.0
277.21750	0.5
371.22632	0.3
415.25125	0.7
433.25867	0.3
441.20880	0.7
445.20999	1.5
446.20862	0.3
459.22473	11.8
460.22531	1.3
481.52359	0.3
510.40985	0.3
523.19885	2.5
524.19849	0.5
599.70270	0.3
625.28473	0.3
633.32013	1.1
651.31641	2.0
669.23041	11.9
669.32025	1.3
670.23669	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	669.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93893	1.0
55.01750	1.4
57.03329	2.3
59.01265	28.9
65.03837	1.2
69.03329	2.7
69.92085	1.9
69.92503	5.2
71.01272	17.7
72.99189	2.3
73.02824	4.1
76.87161	1.0
80.02569	2.7
81.03341	6.9
83.01262	2.5
83.04914	8.1
85.02840	5.0
87.00765	4.3
89.02332	7.9
93.03369	3.1
95.01292	2.4
95.04868	2.0
97.02853	9.8
97.06495	7.6
98.20534	1.2
99.00774	2.6
101.02344	13.4
106.04121	1.2
107.04929	2.3
108.02058	2.5
109.02890	2.4
109.06500	42.4
110.03634	3.6
110.06828	1.9
111.00808	1.2
111.04422	2.4
113.02334	6.2
116.91638	0.9
119.03433	1.4
119.74588	1.1
121.02833	1.1
121.06496	4.3
121.58677	1.0
123.04429	1.5
123.08064	4.4
125.02322	1.3
125.09632	22.9
126.09946	1.3
135.04420	1.3
135.08081	5.9
136.05185	3.1
137.09619	1.2
142.02625	3.9
144.95688	1.0
145.05022	2.4
147.11766	1.4
159.04454	1.1
161.04486	3.3
161.09641	4.4
163.11224	28.8
164.11537	1.6
165.09189	1.6
171.10196	3.0
173.06004	1.4
175.11179	3.8
179.10727	2.9
181.12314	6.5
185.11824	3.7
187.09724	7.6
189.09181	2.1
189.12863	1.0
191.10722	3.7
198.02072	1.0
198.13225	1.1
201.12859	1.9
203.10683	1.3
205.08612	1.6
205.12100	1.3
207.10248	100.0
208.10614	7.0
209.11815	28.5
209.13789	1.6
210.12160	1.7
217.12216	1.8
219.10210	4.4
219.13919	2.0
223.09720	3.8
223.13353	4.1
225.11320	53.8
226.11661	3.9
227.13013	1.1
229.12399	1.5
235.08244	4.2
235.13356	3.6
237.11290	5.9
237.14931	1.2
245.11813	3.4
253.09322	9.2
259.13428	1.3
261.11411	2.6
263.12988	8.6
289.14490	1.3
299.14868	1.3
309.18784	1.2
317.21274	1.2
325.21942	2.0
327.19647	3.0
335.20209	1.9
343.19016	1.2
345.20694	2.2
353.17572	2.4
353.21375	3.0
361.20157	3.3
369.20758	4.8
371.18451	7.0
371.22406	2.9
379.19974	1.6
387.21866	3.2
388.40381	1.1
389.19617	7.2
389.23837	1.5
397.20261	8.7
405.17969	2.1
405.22775	2.3
415.21341	25.1
416.21466	3.5
423.18658	1.8
433.22406	5.7
443.19125	3.8
461.20419	10.3
489.25302	2.7
597.29718	5.1
607.27631	18.7
608.28223	4.4
623.30804	4.2
625.28772	41.6
626.29132	7.5
633.29163	13.1
634.29590	2.3
651.30353	98.2
652.30719	20.5
669.31384	47.0
670.31952	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	669.2573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69873	0.2
59.01266	1.7
61.98708	0.4
65.72954	0.2
70.74933	0.7
71.01260	1.5
72.99159	0.3
73.02866	0.3
75.00770	0.8
78.95792	0.6
85.02837	0.4
89.02329	0.6
93.03352	0.3
96.95917	1.0
99.00779	0.4
101.02347	0.9
102.75677	0.2
107.04897	0.5
108.02052	0.4
109.02867	0.5
109.06533	0.3
113.02365	0.7
117.03374	22.2
118.03709	0.7
119.04939	33.4
120.05296	1.2
121.02857	4.1
122.03625	1.0
123.04414	0.9
133.02878	0.4
133.06531	0.5
135.04436	0.8
136.05237	0.4
137.02386	0.4
137.05991	0.3
145.02885	78.0
146.03214	3.4
147.04462	1.1
148.05156	0.3
150.06757	0.4
160.05185	0.2
161.06030	0.9
162.03174	1.0
162.06766	0.3
163.03949	27.1
164.04303	1.1
165.05585	1.1
171.10251	0.3
175.07549	0.3
177.05521	7.1
178.05977	0.3
179.07123	0.4
191.07106	1.0
207.10254	0.8
209.11810	0.8
225.11426	0.8
233.08147	0.6
254.98251	0.4
266.32043	0.2
313.14316	0.4
328.09961	0.3
328.13007	1.2
329.14078	2.1
343.15692	0.4
348.35443	0.3
361.16742	0.5
383.13608	0.2
463.30524	0.8
480.17209	0.2
507.20316	100.0
508.20676	16.7
637.22321	0.3
651.30603	0.8
669.23999	0.4
669.36078	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	667.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52260	1.2
55.01776	1.1
57.03332	1.8
58.00491	0.9
59.01266	18.1
61.98682	1.4
69.03329	4.5
71.01266	12.3
71.04913	1.3
71.22040	1.8
71.61478	0.9
71.61891	1.0
72.99176	1.6
73.02845	1.9
75.00750	1.7
81.03340	3.0
83.04906	3.7
84.02046	1.6
85.02842	3.3
87.00757	2.0
89.02336	7.0
95.04910	2.2
97.02851	7.6
97.06505	1.6
99.00758	2.1
101.02336	8.1
107.04938	1.3
109.05819	1.7
109.06506	26.9
110.03629	2.3
113.02380	5.2
119.03426	1.8
119.04947	2.6
121.06512	1.5
125.02350	1.2
125.09644	2.3
132.87778	1.1
134.03699	1.6
135.08084	4.4
136.05197	1.8
142.02580	2.2
143.03409	1.6
145.04973	2.1
149.09659	1.5
161.02417	1.2
161.04488	2.3
161.09622	2.4
163.03964	2.5
163.06427	1.0
163.11238	15.1
167.10718	4.7
179.10739	2.9
179.14423	5.1
181.12270	4.4
185.11769	4.1
187.86743	1.2
189.09195	2.3
195.13872	14.4
196.14314	1.4
205.12308	14.1
207.10263	75.4
208.10605	3.8
209.11861	2.1
223.13408	100.0
224.13661	5.9
225.11342	33.0
226.11499	2.5
235.08249	7.1
253.09422	12.5
263.12979	1.7
264.91763	1.4
351.23477	2.8
367.22931	1.5
369.20471	1.7
369.24579	2.4
385.23859	5.4
395.22418	11.6
403.25223	2.2
413.23401	17.3
414.23746	2.9
431.24429	6.0
443.19382	4.5
459.22440	8.9
460.22580	1.5
461.20297	7.5
503.17398	3.7
551.46082	1.1
621.32764	3.0
631.31464	6.0
632.32086	1.4
649.32452	34.2
650.32574	6.8
667.33527	50.1
668.33875	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	663.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00999	0.5
59.01266	12.2
61.98704	1.0
70.50159	0.6
70.55202	0.6
71.01286	3.2
71.56580	0.7
72.99210	1.2
73.02845	1.0
75.00774	1.0
78.95793	1.4
83.04874	1.0
84.81640	0.6
85.02874	1.3
87.00817	0.6
88.98705	0.7
89.02353	2.4
94.02896	3.3
94.06532	0.9
94.64099	0.6
96.95912	7.5
97.06496	0.6
98.02373	1.0
99.00770	0.7
101.02354	2.3
108.04472	4.5
109.06456	0.7
110.06002	1.7
113.02340	2.0
116.92720	0.7
119.03423	1.0
120.04471	1.4
120.08102	1.3
121.05156	0.7
122.06041	14.4
124.03966	3.5
124.07644	1.0
134.06056	2.0
136.03984	5.9
136.07626	7.8
137.04674	1.4
138.05478	4.6
147.05586	1.6
148.03961	0.8
148.07594	0.7
150.05542	11.1
152.07094	1.5
160.03918	0.9
161.04709	1.0
162.05606	1.1
163.08707	1.0
164.07149	0.7
168.06609	1.3
171.10315	0.8
174.05547	0.8
174.09271	0.7
175.05084	1.3
176.03447	0.7
186.09224	2.7
188.07132	0.8
201.06642	2.1
201.10187	6.7
202.07254	1.4
202.08955	1.3
202.12357	2.1
203.05940	0.7
203.11868	0.7
209.11829	5.1
211.08745	0.6
212.10811	1.3
213.10237	3.3
214.07333	1.2
215.08232	2.4
215.11871	1.1
216.08823	0.6
217.09789	0.9
226.07532	0.8
227.11945	1.9
228.10387	4.0
229.09834	21.4
229.13495	2.7
230.12059	8.3
231.11861	0.8
233.12805	0.6
237.10373	0.8
239.11958	4.3
240.09056	1.5
241.09846	1.6
243.11469	0.8
245.09317	3.7
245.12943	1.4
247.10898	1.5
255.11423	6.1
257.09393	6.1
257.12997	1.9
258.10031	1.2
259.10760	1.4
265.53107	0.7
267.11594	1.4
271.10971	0.7
273.12512	21.1
274.13138	1.0
275.10440	1.2
283.11029	1.1
289.12036	1.8
301.11978	11.7
302.12497	1.0
309.12424	0.7
310.12827	0.7
311.10706	0.8
317.11490	15.4
318.11688	1.5
319.13062	44.7
320.13309	4.3
327.13528	2.1
334.11819	1.4
335.12558	100.0
336.12878	7.9
343.13242	1.8
346.15778	0.7
388.16223	0.7
403.15274	0.8
432.15390	1.1
446.16934	1.1
508.17325	1.0
513.21448	0.9
527.23328	1.9
540.20239	0.7
543.27246	1.1
545.24146	7.3
546.24097	1.6
569.23676	1.9
571.21680	1.2
587.25189	21.8
588.25281	5.2
590.23651	1.8
613.23486	1.2
619.27179	2.1
631.24170	26.9
632.24542	5.4
663.26746	27.4
663.36224	1.7
664.27185	5.0
664.37158	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	663.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96967	0.6
59.01262	11.0
59.01533	0.8
59.61331	0.6
63.00827	0.6
71.01282	1.4
71.55904	0.9
73.02896	0.8
75.00790	2.2
78.95815	1.1
81.03377	0.8
83.04933	1.1
84.04469	0.7
85.02837	0.8
89.02344	1.0
94.02921	2.7
96.04418	0.9
96.95911	3.3
96.96886	0.7
99.00806	1.9
101.02389	0.9
106.06523	1.4
108.04473	3.7
110.06037	4.2
113.02357	1.2
120.04421	0.7
120.08140	1.9
121.05234	1.6
122.06033	11.4
123.03204	1.1
123.06381	0.9
124.03959	4.6
126.19977	0.6
127.84802	0.6
130.06512	0.8
132.04527	0.9
135.04503	1.0
136.03961	6.1
137.04768	2.1
138.05566	5.9
139.92903	0.7
144.04533	2.5
146.06093	1.2
147.04539	0.9
147.05536	3.9
148.04056	1.2
148.05171	1.5
150.05544	5.8
161.02397	2.3
161.03571	1.5
161.04776	2.6
162.05580	1.7
168.06697	1.7
174.05553	4.8
175.04967	3.4
186.12929	1.5
187.06416	1.3
188.03555	1.3
191.03397	0.7
193.03793	1.5
196.68753	0.8
199.08644	1.3
201.10327	16.8
202.10674	1.4
203.05858	3.3
203.11996	0.8
204.06413	0.9
211.08763	1.2
213.10376	7.3
214.10997	0.9
215.08315	1.0
215.11838	3.6
217.09711	0.9
223.08807	1.3
224.09456	0.8
225.10220	0.6
227.11852	5.0
228.12521	0.9
229.09869	20.7
229.13376	7.5
230.10170	0.8
231.15958	0.7
236.09647	0.7
237.04057	1.5
237.10347	2.1
239.11900	10.9
240.12273	0.8
241.09862	2.8
243.11392	1.0
245.13091	1.4
247.10942	2.9
249.10365	1.0
251.12061	0.9
253.09906	0.9
255.11392	5.7
257.12967	6.2
259.10995	1.5
266.10550	0.8
267.11441	3.0
271.10809	1.1
273.09711	1.1
273.12457	5.3
279.11664	0.9
281.09564	1.3
283.10886	4.6
285.12607	1.3
287.10391	1.3
289.11938	6.3
291.11591	1.3
293.09402	0.6
295.10675	1.0
301.11990	26.7
302.12393	2.6
309.12411	2.3
311.10287	0.7
313.12073	1.1
316.14615	1.0
319.13055	100.0
320.13385	7.6
320.84790	0.7
325.12259	0.9
327.10144	1.1
327.13412	5.4
328.10855	1.6
329.11810	1.3
330.12366	1.3
331.13074	1.0
340.60162	0.7
342.12503	1.2
343.13275	4.3
344.10263	0.8
344.14120	1.8
345.15063	0.7
346.15857	1.4
355.13348	1.0
358.11774	1.2
358.15677	2.1
359.12607	1.3
360.17331	1.0
368.13821	1.4
370.15820	1.6
371.12619	0.9
372.13428	3.8
373.14474	0.9
374.15063	1.2
376.16754	1.5
377.13760	1.4
378.18332	1.5
379.18866	1.0
384.17337	1.3
385.14212	1.0
386.11328	0.8
386.15244	6.9
387.15918	2.5
388.16895	4.0
389.17184	0.8
390.14539	2.0
400.16843	2.4
401.17499	1.0
403.14966	2.0
404.16135	10.7
405.16827	3.4
406.17834	2.7
414.14597	2.6
416.16150	2.8
418.14096	2.1
419.14749	2.1
428.16162	1.9
429.17056	2.7
431.14429	0.9
432.15646	4.4
433.16049	0.9
437.16006	6.4
438.16415	0.8
446.17178	5.5
447.17847	3.6
450.16400	1.2
490.16345	1.4
491.16397	1.1
497.21539	0.8
509.22095	1.4
513.21399	0.9
515.23193	1.5
519.26141	1.9
522.18506	1.2
527.22980	6.2
528.23419	0.8
539.23041	1.2
545.24176	16.7
546.24323	3.5
551.23090	1.6
557.23822	1.3
569.24170	11.4
570.24292	1.5
571.21735	1.3
587.25214	55.3
588.25549	11.1
590.23840	3.8
591.24213	1.1
601.23212	1.8
613.23260	8.4
614.23383	1.4
619.27832	1.6
631.24207	83.2
632.24530	16.9
633.25146	1.5
645.25970	5.1
646.26398	1.2
663.26764	79.9
664.27161	16.9
664.37531	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00991	0.5
59.01264	5.5
71.01264	1.4
71.56468	0.5
73.02814	0.4
75.00752	0.6
78.95795	0.7
83.04912	0.6
85.02843	0.4
85.87119	0.3
87.00758	0.3
89.02327	1.0
94.02878	2.2
96.04487	0.3
96.95902	2.4
98.02362	0.4
99.00790	0.3
101.02350	0.9
106.06527	0.3
107.03658	0.3
108.04469	1.7
110.06073	0.3
111.54813	0.3
113.02344	1.0
119.03438	0.4
120.04459	0.8
122.06040	8.3
124.03952	1.4
124.07565	0.4
134.06068	1.9
135.04460	0.4
136.03984	4.5
136.07616	9.1
137.04778	0.5
137.07922	0.3
138.05554	2.5
148.03986	0.6
148.05107	0.3
150.05556	9.1
152.03558	0.3
152.07101	1.7
158.05994	0.3
159.05609	0.3
160.07596	0.4
160.30716	0.3
161.02328	0.5
162.05542	0.6
163.08733	0.3
164.07069	0.4
165.48390	0.3
172.07555	0.4
174.09219	0.9
175.02531	0.4
175.05118	0.3
176.03484	0.6
179.05606	0.4
184.07576	0.4
185.09711	0.3
186.04300	0.7
186.09254	3.0
187.09793	0.4
187.11259	0.7
188.10590	0.4
200.10748	0.5
201.06497	2.0
201.08289	0.5
201.10132	0.4
202.07207	2.0
202.09036	0.6
202.12415	1.8
203.05644	0.6
212.10770	1.6
213.06633	0.8
213.09927	0.4
214.07391	1.2
215.08194	2.4
227.08345	0.4
227.11810	0.5
228.10352	3.4
229.09842	13.4
230.12093	8.0
231.11497	0.6
239.08351	0.5
240.09082	0.8
243.07805	0.4
244.08527	0.8
245.09341	4.7
245.12976	0.5
255.11446	3.6
257.09369	5.9
258.10068	1.7
259.10962	0.7
269.72446	0.3
273.12531	20.3
274.12952	0.9
275.10483	1.1
290.12643	0.4
291.13416	0.5
299.10379	0.6
301.11957	1.2
317.11490	16.2
318.11862	1.4
319.13052	2.9
320.13315	0.4
327.13608	0.6
334.11847	1.5
335.12570	100.0
336.12924	7.3
462.79059	0.4
527.22705	0.4
539.90100	0.4
545.24353	0.5
587.25134	2.0
588.25574	0.3
591.24219	0.3
631.24261	1.6
632.24762	0.5
662.34399	0.6
663.25214	1.6
663.36499	0.6
664.27734	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.1
58.00457	0.5
59.01264	6.4
60.96360	0.3
61.98711	0.5
69.03331	0.8
71.01269	5.5
71.04916	0.4
72.99212	0.4
73.02847	1.3
75.00741	0.4
78.95779	0.4
80.02575	0.8
81.03345	1.4
83.01285	0.9
83.04914	4.8
84.02075	0.9
85.02853	2.0
87.00781	1.4
89.02347	2.9
95.01294	0.6
95.04921	1.7
96.95907	1.2
97.06483	4.8
99.00787	0.4
99.04449	0.3
101.02339	5.4
101.92625	0.3
109.06506	0.8
113.02389	2.6
117.63165	0.3
119.03414	0.6
122.06063	0.5
125.05994	0.6
125.09645	0.9
128.53914	0.4
133.10175	0.5
135.08101	0.6
136.82692	0.3
143.03461	0.4
145.05002	0.5
149.09621	0.6
151.11221	16.4
152.11569	0.7
161.04504	1.5
163.11220	3.1
165.12778	1.7
169.12289	72.1
170.12602	3.6
171.10176	0.7
179.05510	0.7
181.12242	0.4
184.76285	0.3
185.11778	0.9
191.10823	0.6
195.10239	2.1
197.11829	1.2
199.13341	0.4
207.10306	0.5
209.11812	59.8
210.12131	3.1
213.11353	10.0
225.11157	0.8
227.12910	5.2
235.08270	1.5
246.88304	0.4
253.09308	4.6
285.12564	1.7
330.20190	0.4
379.24475	0.4
431.19281	2.3
434.17627	0.3
449.20416	5.8
450.20218	0.4
471.14865	0.5
497.27353	0.5
551.23175	1.9
595.21527	0.6
615.38007	0.5
627.24951	1.5
628.25165	0.6
641.31781	3.2
642.32440	0.6
659.32971	100.0
660.33282	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	657.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71410	0.7
55.01740	0.7
56.57194	0.7
57.03336	2.2
58.00449	0.7
59.01267	10.7
61.98708	1.8
65.56472	0.7
68.99423	0.9
69.03332	1.5
70.70678	1.4
70.71075	1.5
71.01274	7.6
75.00761	2.3
75.20158	0.6
78.95792	1.2
80.02539	1.0
81.03342	2.0
83.01273	1.3
83.04900	3.6
85.02836	2.7
87.00761	2.1
89.02336	3.9
95.04916	1.7
96.95908	4.5
97.02843	2.9
97.06477	4.7
99.00755	2.1
101.02335	6.4
102.83538	0.7
107.04906	0.9
109.06499	17.5
113.02365	3.9
119.03441	1.3
121.06486	1.3
123.04240	0.7
123.08015	0.9
125.09628	1.3
133.04895	0.9
133.10188	1.1
135.08083	1.6
136.05167	0.7
138.46400	0.6
142.02661	1.0
143.03395	0.7
145.05034	0.9
151.11227	13.1
161.02475	0.8
161.04483	1.4
163.11211	10.3
165.12781	1.3
169.12288	68.3
170.12604	3.4
171.10191	3.8
179.10391	0.6
181.12251	3.7
183.13843	1.3
185.11740	0.8
191.10789	1.1
195.10188	1.7
204.78549	0.6
207.10242	27.2
208.10577	1.3
209.11806	39.1
210.10406	0.7
210.12190	9.5
211.13437	25.1
212.13710	1.7
213.11313	9.9
225.11333	12.4
226.11671	0.7
227.12921	5.7
228.13239	0.8
235.08188	2.3
249.14920	2.5
253.09380	7.2
315.23361	0.8
359.22314	1.7
377.23227	3.0
385.99857	0.8
395.24359	0.9
403.24823	0.8
431.19321	2.3
443.19244	0.8
447.22180	1.0
449.20428	6.3
461.20462	3.5
595.31458	1.0
599.08258	0.8
613.31580	0.9
621.33527	0.9
639.30334	6.7
640.30829	1.4
657.31311	100.0
658.31732	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	657.2206
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03366	1.7
59.01263	5.0
61.98755	2.1
63.02331	1.0
65.00217	5.9
67.55775	0.6
69.03384	0.7
71.01256	4.1
71.57684	0.9
72.99226	1.5
73.10545	0.8
75.00803	2.0
78.95867	2.1
83.01293	4.2
83.04928	0.7
83.92422	0.8
85.02894	2.4
87.00821	0.8
89.02393	1.8
92.46007	0.6
93.27956	0.8
96.95918	3.5
99.00846	0.9
101.02379	1.5
107.01292	9.3
108.02207	0.7
113.02403	2.9
114.94892	0.7
115.00374	0.8
118.99803	0.8
123.04442	1.6
125.02369	14.4
136.05222	5.2
137.02362	1.0
150.06975	0.7
151.00302	29.6
151.04137	0.8
152.00771	1.4
159.04494	1.2
161.02386	6.9
163.11339	1.0
163.59714	0.8
165.01892	1.7
165.09186	4.0
167.03490	3.3
169.01476	1.1
171.10318	1.0
172.05325	2.4
173.06111	1.4
174.03134	0.8
175.00443	1.0
175.02518	1.5
175.04060	2.0
176.04706	0.7
183.04572	1.7
186.06911	1.6
188.04793	0.7
199.04025	0.7
200.04831	1.3
202.06425	2.0
204.22034	0.7
209.06267	1.1
209.11818	3.7
210.12273	1.7
215.03526	1.1
224.04919	1.8
226.02718	0.8
227.03545	1.5
227.12939	0.7
237.05605	1.2
238.06453	1.0
240.04337	3.4
241.05054	0.9
253.05125	1.3
254.98360	1.2
255.03049	1.5
256.03766	1.1
256.97946	1.8
261.05609	1.2
262.06314	1.1
264.04413	1.1
266.05997	0.9
272.03427	1.4
277.05127	1.1
278.06256	0.8
280.03909	0.9
283.02618	2.4
284.03351	12.1
285.03964	2.5
294.05487	1.0
297.14999	1.2
305.04562	3.9
306.05466	1.5
307.06161	1.9
307.13779	1.1
308.00281	1.1
308.03433	5.3
308.06705	1.1
309.04095	14.2
310.04645	1.0
322.04941	5.6
323.05624	4.7
323.13025	1.0
325.14532	6.3
333.04126	1.4
334.05035	2.3
335.05453	3.5
343.15472	3.2
349.14377	1.0
351.05304	2.2
351.12277	4.0
352.05963	3.1
354.03815	3.7
367.15561	2.0
369.13464	9.5
369.17743	1.0
370.13834	1.0
386.19946	0.7
391.15536	1.6
407.15341	1.3
409.16589	1.4
433.12881	12.4
434.13373	1.9
451.14017	26.5
452.14590	2.7
465.32242	8.5
466.32074	0.9
477.15714	8.1
478.16171	1.6
495.16718	100.0
496.17068	14.2
537.17749	3.7
611.73260	0.7
621.27472	0.9
627.38080	1.0
639.20459	1.0
657.21973	86.8
658.22284	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	657.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	6.5
59.01050	0.6
59.01270	7.6
60.07114	0.8
61.98701	2.7
63.02286	1.2
65.00211	10.7
70.14523	3.0
70.14886	1.4
71.01270	6.7
72.99170	0.9
75.00756	4.6
78.95790	1.7
81.03355	1.1
83.01280	6.6
83.04900	1.4
85.02830	2.5
89.02327	2.8
93.03381	1.1
95.01266	0.8
96.95903	5.5
98.19880	1.0
99.00784	1.0
101.02338	2.9
107.01290	13.7
109.06538	1.0
113.02343	2.8
116.92787	0.9
122.06036	1.1
123.04389	2.1
124.01544	1.9
125.02367	87.3
126.02716	2.1
127.11137	0.9
133.02852	0.8
135.04433	1.3
136.05226	17.5
146.03653	0.8
149.02379	1.6
149.06006	4.6
150.06793	9.9
151.00308	35.6
151.01526	1.9
152.00847	1.0
152.99504	1.1
159.04448	0.9
161.02359	1.9
162.06772	0.8
163.07585	3.6
164.08368	2.3
165.01901	2.0
165.09184	7.6
167.03419	2.7
169.01357	1.1
172.05226	4.0
174.03162	3.0
175.00293	0.8
177.01987	0.9
178.09981	0.9
179.07040	0.8
179.10696	4.7
185.06079	2.2
186.06837	3.8
198.03157	1.1
199.07576	1.3
200.04884	1.7
207.10254	1.0
209.11838	5.8
210.06862	0.8
210.12262	1.1
211.13414	3.1
212.04771	6.7
213.05385	1.1
213.11147	0.9
225.11215	1.0
227.03622	1.0
228.04230	1.3
240.04295	1.7
242.10419	0.9
244.03745	1.2
253.15944	1.0
255.03056	3.6
255.13808	1.3
256.03699	2.8
257.12946	5.9
269.04706	1.0
281.04578	1.0
281.15533	2.5
283.02481	2.8
284.03333	14.0
285.04080	11.5
286.04416	1.4
295.02307	1.0
296.03351	4.5
297.04092	2.0
297.14984	19.3
298.15372	1.1
301.11935	6.0
302.12271	0.8
307.06247	1.1
308.03360	1.5
308.07013	0.8
309.04141	8.7
315.16074	15.9
316.16187	1.7
323.12949	1.8
325.14474	7.8
329.23465	4.3
337.03391	1.1
338.04279	1.0
339.16171	1.1
341.14053	9.7
343.15570	28.8
344.15887	3.0
351.12265	1.0
367.15594	11.5
368.15924	1.1
369.13498	51.3
370.13867	5.8
391.15634	12.9
392.15881	1.4
405.17374	0.9
433.16403	5.2
434.30127	1.1
435.14270	1.1
449.16257	6.0
449.32834	10.1
450.16287	1.2
450.33490	1.3
459.14526	2.1
467.17224	11.4
468.17563	1.7
477.15671	17.5
477.32095	0.9
478.15829	1.0
480.34622	1.9
482.04645	1.3
494.37079	3.8
495.16745	86.1
495.33026	8.8
495.37082	10.2
496.17010	11.4
501.15717	1.8
519.16962	1.5
537.17810	2.6
614.26147	4.1
639.21082	12.1
639.31152	1.0
640.21063	2.7
657.21960	100.0
657.38690	52.2
658.22150	18.7
658.38300	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	655.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	1.9
61.98689	0.1
69.03326	0.1
71.01268	2.1
71.57044	0.1
73.02830	0.5
75.00774	0.2
80.02570	0.3
81.03343	0.5
83.01287	0.3
83.04919	1.7
84.02042	0.4
85.02849	0.5
87.00765	0.4
89.02339	1.0
92.35403	0.1
95.04910	0.2
96.95909	0.5
97.02845	0.1
97.06489	0.2
101.02344	1.8
101.96367	0.2
109.06458	0.2
113.02343	0.9
119.03439	0.4
121.76603	0.2
124.71922	0.1
125.02374	0.1
125.05968	0.2
125.09742	0.1
131.80324	0.1
143.03481	0.1
145.05011	0.4
161.04492	0.6
163.11229	1.4
165.12808	1.3
171.10245	0.2
179.05476	0.2
181.12312	0.3
191.10759	0.5
207.10193	0.3
209.11816	100.0
210.12158	5.3
211.13324	0.6
225.11302	0.4
227.12894	5.6
228.13237	0.2
235.08267	3.9
253.06694	0.3
253.09322	4.6
254.09729	0.1
401.23471	0.2
445.20877	1.3
482.28510	0.2
564.47284	0.1
637.32037	0.2
655.33661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.6
57.87563	0.4
58.00488	0.4
59.01268	7.2
61.98704	1.5
63.00742	0.5
67.17616	0.5
69.03345	0.5
71.01278	5.5
71.56602	0.8
72.75043	0.5
72.99210	0.5
73.02831	1.1
75.00742	2.3
78.95374	0.9
78.95797	10.7
79.95633	1.9
80.46858	0.5
80.96403	1.6
81.03349	0.5
83.01264	0.7
83.04914	2.0
84.02031	0.7
85.02834	3.4
87.00786	1.1
89.02335	2.0
95.01270	0.5
96.95912	48.7
97.06479	0.9
99.00779	1.1
99.04412	0.8
101.02352	2.2
107.04936	0.5
109.06487	0.6
111.04418	0.5
113.02364	3.5
115.00317	1.1
121.06515	1.5
122.03678	1.3
125.02361	0.7
125.09661	1.2
127.11185	0.9
135.04424	2.7
135.08151	0.5
136.05232	36.3
137.05606	1.4
138.96919	0.5
147.08148	0.9
148.05281	1.0
149.06027	7.1
150.06805	4.3
151.07434	0.6
152.99521	6.6
162.06776	2.8
163.07588	1.5
163.11183	1.1
164.08389	4.5
165.09163	24.0
165.12776	0.6
166.09465	1.2
167.19528	0.5
171.10208	5.0
175.02477	2.5
179.10721	1.2
205.54895	0.5
209.11819	29.7
210.12198	1.7
211.13390	2.2
214.69011	0.5
227.12906	2.8
229.14510	1.4
247.13480	0.6
248.63989	0.5
253.09279	0.9
254.98128	5.5
255.02977	1.3
256.03589	0.6
277.44775	0.5
281.21408	0.9
283.02521	1.1
284.03259	1.3
285.04111	1.7
293.09253	0.5
327.21814	23.7
328.22180	2.7
363.12302	1.8
377.27194	0.7
395.14847	1.5
414.28052	0.9
419.24438	1.1
429.30249	1.1
432.28613	2.5
446.30453	0.9
447.24945	0.7
447.31229	12.5
447.37125	0.9
448.31549	2.2
449.33173	0.7
474.30130	0.9
475.30692	3.4
476.30911	0.6
492.30582	3.4
493.31662	30.0
494.32050	4.6
557.12695	0.6
591.25928	3.0
595.38708	1.2
623.28522	5.7
624.29132	1.4
637.32422	1.5
655.37231	100.0
656.37701	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	655.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.2
59.01256	2.2
60.62074	0.2
71.01266	2.0
72.99193	0.3
73.02836	0.2
80.02563	0.4
81.03342	0.4
83.01275	0.5
83.04916	2.4
84.02049	0.6
85.02855	0.4
89.02319	1.2
93.03355	0.2
94.20097	0.2
95.01289	0.2
95.04910	0.5
96.95914	0.8
97.02788	0.2
99.54523	0.2
101.02343	1.6
107.04950	0.2
109.05492	0.1
109.06506	1.0
113.02361	0.9
117.03362	0.5
118.03735	0.3
119.03425	0.4
119.04935	1.4
120.05280	0.7
125.05968	0.4
135.08098	0.4
145.02892	1.1
146.03227	0.6
147.03383	0.2
161.04497	0.7
163.03940	0.7
163.11234	2.7
164.04292	0.5
164.11554	0.2
165.12808	1.5
171.10248	0.2
179.05513	0.3
179.43680	0.2
181.12340	0.4
183.13902	0.2
185.11893	0.3
191.10732	0.7
207.10231	1.6
209.11809	100.0
210.12143	5.3
211.13385	3.0
225.11359	0.9
227.12900	7.3
227.15164	0.4
228.13208	0.4
229.30438	0.2
233.11937	0.2
235.08287	1.2
246.01079	0.2
253.09311	4.5
254.09529	0.2
373.23978	0.3
383.22379	0.6
391.24945	0.2
401.23544	1.1
419.24530	0.4
441.69421	0.2
445.21030	1.3
461.19876	0.2
609.33246	0.2
619.31287	0.2
637.32355	2.9
638.32764	0.5
655.24646	2.5
655.33856	1.0
656.24805	0.2
656.34473	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	655.3349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.6
58.00501	0.2
59.01263	3.7
61.98711	0.5
69.03340	1.9
69.24464	1.8
71.01268	2.1
71.04899	0.4
71.75355	0.1
72.99208	0.2
73.02834	0.5
75.00759	0.4
76.76917	0.1
78.95801	0.3
80.02567	0.5
81.03332	0.8
83.01263	0.3
83.04918	2.6
84.02054	0.5
85.02845	0.5
87.00753	0.4
88.13265	0.1
89.02346	1.3
93.03367	0.3
95.01263	0.3
95.04923	0.7
96.95901	1.7
97.02846	0.3
97.06467	0.3
99.00797	0.3
101.02346	1.7
108.05704	0.1
109.06503	0.5
111.08054	0.6
113.02358	1.4
119.03393	0.5
125.06034	0.2
127.07587	0.2
129.01808	0.1
129.09117	0.2
130.94794	0.1
135.08078	0.5
135.11836	0.2
139.07533	0.2
141.01639	0.3
143.03436	0.5
145.05014	0.2
147.11743	0.5
153.09129	0.8
161.04520	0.8
163.11227	2.1
165.09062	0.4
165.12805	3.3
171.10231	1.1
173.09677	0.3
174.01730	0.2
179.05522	0.4
181.12302	3.3
185.11694	0.4
191.10765	5.6
192.11035	0.2
197.11827	0.3
207.10272	0.3
209.11813	100.0
210.12157	5.4
210.14197	0.2
211.13448	0.8
219.51125	0.2
225.11327	0.3
227.12883	8.4
228.13184	0.5
235.08215	1.9
246.19736	0.2
247.13480	1.1
253.09309	5.7
255.23657	0.1
309.20914	0.2
327.21817	0.9
383.22147	0.3
401.23245	0.5
419.24701	0.2
427.19528	0.4
445.20880	5.4
446.21167	0.4
587.34772	0.2
615.21735	0.2
619.31305	0.5
637.32452	1.1
638.32587	0.2
655.33490	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2405
Annotation	Mezerein
Peak:m/z	Relative Intensity
51.15113	0.4
59.01275	0.5
64.21144	0.3
71.01249	0.4
71.42754	0.8
93.03362	1.0
103.89299	0.3
113.58241	0.4
116.19199	0.3
117.03375	31.9
118.03702	0.6
119.04942	75.4
120.05262	2.8
121.02876	5.2
123.04445	0.8
132.05746	0.5
133.02861	1.0
133.06511	0.7
135.04459	0.8
137.56845	0.4
145.02892	70.1
146.03238	3.3
147.04446	0.9
147.52084	0.3
162.03183	1.3
163.03960	50.4
164.04283	1.8
175.07567	0.5
177.05533	3.5
207.10258	0.9
209.11795	1.2
230.80298	0.3
328.13107	0.6
341.85596	0.3
343.15695	0.8
353.14023	4.2
354.14508	0.5
367.79092	0.4
436.89914	0.3
448.50613	0.4
475.17307	0.6
486.92065	0.4
489.19189	1.3
507.20370	2.5
507.26941	0.4
508.21271	0.5
614.77600	0.4
653.24005	100.0
654.24353	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	653.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	2.6
59.01265	20.8
61.98709	4.2
67.12532	1.4
71.01263	12.6
71.56832	1.8
72.99181	2.1
73.02846	3.8
75.00751	6.2
78.95787	3.9
80.02558	2.0
81.03359	3.2
83.04905	6.4
85.02832	5.2
87.00762	3.9
89.02337	6.1
93.03381	2.1
95.01334	1.5
95.04913	2.7
96.95894	2.2
97.02851	3.6
97.06486	4.3
99.00777	3.1
101.02338	8.2
109.06507	16.3
113.02369	9.0
119.03397	1.7
121.06516	2.8
123.08053	5.5
125.02373	2.1
125.09626	11.1
135.08105	2.8
137.09665	2.0
145.04971	2.3
149.09624	1.9
151.00227	1.7
161.02382	2.0
161.04483	2.1
163.11241	11.2
165.12804	1.6
171.10220	39.1
172.10562	3.0
181.12267	2.6
185.11852	7.7
185.13225	1.9
187.09656	2.9
189.09145	1.9
201.05563	2.1
207.10246	35.9
208.10675	3.7
209.11824	94.8
210.12135	5.9
211.13490	1.6
213.09111	2.6
217.12355	6.6
221.11807	5.2
225.11284	20.5
227.12885	7.6
229.12509	1.9
231.10172	2.0
235.08197	5.7
235.13451	4.4
245.11867	3.4
247.13390	4.3
249.11238	2.5
253.09325	8.4
259.37366	1.5
263.12900	5.5
265.09537	1.6
265.14447	5.1
353.10889	1.7
355.22998	2.9
381.20892	2.1
399.21799	11.1
407.19241	4.9
417.22943	14.1
435.23837	4.0
443.19446	2.8
445.20743	2.9
447.31030	1.7
461.20493	6.4
477.15417	3.8
481.20645	1.8
617.30847	1.7
625.31854	2.8
635.30859	36.1
636.30823	6.4
653.31573	100.0
654.31879	21.7
674.65698	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	2.6
61.98711	0.4
69.92724	2.6
71.01277	0.4
76.40768	0.4
78.95827	0.8
93.03364	1.4
96.95937	0.5
98.20395	0.4
101.02303	0.5
107.04939	0.5
109.81470	0.5
117.03369	29.7
118.03687	0.5
119.04939	77.6
120.05258	3.1
121.02863	4.7
123.04428	1.3
133.02896	1.3
134.03627	0.5
135.04376	0.5
145.02884	74.4
146.03214	3.5
147.04427	0.7
159.04523	0.7
162.03174	1.2
163.03947	54.8
164.04305	2.4
177.05521	3.4
190.06410	0.4
199.44774	0.5
207.10236	1.4
209.11816	5.1
214.63170	0.5
225.11279	2.8
283.54602	0.5
291.84540	0.4
353.13922	4.6
354.14722	0.5
411.04501	0.4
489.19211	2.2
507.20532	2.8
653.23993	100.0
654.24298	24.4
654.35352	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48963	0.9
69.03374	0.9
70.72600	2.9
71.01276	2.7
72.28312	0.9
72.99171	1.2
75.00774	1.2
85.02856	2.9
92.04960	2.2
95.01273	1.3
96.95873	1.5
100.86510	0.8
108.02081	51.5
109.02902	8.7
113.02344	1.5
121.02811	1.0
123.00893	0.9
134.03680	1.0
134.06053	24.1
135.04446	1.0
136.03979	1.6
152.01099	100.0
153.01778	5.5
163.03920	3.3
170.91531	0.9
178.05072	11.6
196.47617	0.9
227.46127	0.8
229.28705	0.8
249.37610	1.0
315.07431	1.6
325.77347	1.0
347.70428	1.0
352.80588	0.9
393.89584	1.0
429.10507	18.2
430.10764	2.1
472.42944	1.0
566.14899	1.2
608.16357	79.6
609.16730	14.4
634.26575	1.4
680.93610	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	651.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79230	0.2
59.01236	0.8
70.50271	0.2
71.01243	0.5
71.35664	0.2
75.00735	0.3
85.02819	0.3
88.98706	0.5
89.02357	0.2
96.95879	0.7
99.31368	0.2
108.02052	0.4
116.92752	0.2
152.01062	0.8
157.19302	0.2
181.06624	0.7
197.06009	1.0
198.06882	1.0
209.06186	0.4
212.49091	0.2
225.05565	32.6
226.06271	7.6
227.06673	0.4
239.07115	0.2
241.08714	100.0
242.09056	9.0
341.28845	0.2
385.12891	2.1
403.14050	5.2
403.19153	0.4
404.14258	0.6
420.21069	0.2
445.15140	17.6
446.15485	2.4
509.17395	0.2
607.29834	0.4
651.24286	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.158
Annotation	Ricinitin
Peak:m/z	Relative Intensity
57.54025	0.2
59.01263	1.2
63.02288	0.3
65.00213	0.5
71.55405	0.4
75.00755	0.3
75.97813	0.2
83.01277	0.3
91.99097	0.2
96.95896	1.1
107.01295	1.0
109.02851	0.4
133.02870	3.1
134.03696	0.4
149.02396	1.3
151.00301	3.4
175.03966	1.9
177.01877	0.4
178.47284	0.3
192.99715	0.2
197.05954	0.2
199.03908	1.2
201.01991	0.4
208.83458	0.3
211.04033	0.4
212.04610	0.3
215.03349	0.3
217.05029	1.1
227.03513	0.4
241.05023	1.1
243.03064	0.4
255.03026	6.6
256.03708	2.7
257.04465	0.7
267.02853	0.4
280.20270	0.2
281.04602	0.3
283.02478	2.4
284.03302	35.5
285.04077	100.0
285.55768	0.3
286.01266	0.3
286.04440	6.9
297.04016	0.4
298.04666	0.3
313.03653	0.3
327.05176	1.4
346.04968	0.2
373.12894	0.3
385.12796	0.5
389.71887	0.3
429.08090	1.1
446.08780	0.3
447.09387	60.4
448.09714	5.9
489.10483	22.0
490.10617	2.0
560.78564	0.3
591.13708	0.5
651.15735	13.7
652.16144	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	649.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.5
70.32579	1.5
70.32919	0.8
71.01260	0.8
73.64565	0.5
78.95792	83.4
81.03350	0.8
83.04926	2.2
84.02053	0.7
96.96863	8.0
109.06512	1.0
110.98442	1.9
140.44414	0.5
143.13278	0.5
149.54459	0.4
150.97957	2.3
152.99519	100.0
153.99910	1.3
163.11208	2.7
165.12863	1.2
167.01093	1.6
171.00581	2.9
171.10211	2.0
181.12387	0.9
185.32164	0.4
191.10811	0.6
207.10255	1.8
209.11803	24.6
210.12114	1.1
215.13023	0.7
225.11322	5.3
227.12952	2.4
243.12334	0.9
253.21776	0.9
255.23317	9.1
256.23666	0.7
261.67966	0.5
363.12241	6.7
381.13245	40.9
382.13678	2.2
395.14767	8.6
413.15891	29.9
414.16202	2.5
423.25381	0.7
617.34637	9.7
618.35114	1.6
631.36481	2.0
632.36090	0.6
649.37396	13.1
650.37604	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	647.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.0
57.03328	3.7
58.00486	2.6
59.01263	100.0
60.01585	1.8
60.99173	1.1
61.98709	3.8
65.00205	1.4
65.24056	0.8
69.03359	1.5
69.86314	4.9
71.01266	53.5
72.01620	1.4
72.99206	4.8
73.02834	8.8
75.00761	6.4
78.95796	4.5
83.01275	4.3
85.02841	21.1
87.00754	4.9
88.98698	1.9
89.02338	35.2
90.02658	1.2
95.01273	6.3
96.95914	19.2
96.96869	1.1
99.00771	5.3
101.02341	28.3
102.02695	1.0
102.05505	1.3
111.00771	2.8
113.02354	33.2
116.92762	1.1
117.01834	1.0
119.03420	15.1
121.02853	1.5
122.06044	2.3
123.82710	0.8
125.02362	3.6
125.09624	1.6
127.05072	1.1
127.11244	1.9
131.03378	1.1
143.03459	5.3
149.04497	1.1
150.05605	0.9
151.00284	1.6
151.07614	2.5
161.04539	5.5
169.12259	1.0
171.10233	1.4
175.02451	1.4
179.05583	5.0
191.03334	1.2
198.01317	1.0
199.09874	1.2
201.11307	24.2
209.11803	17.8
210.12181	1.4
225.11397	1.3
227.12904	3.3
239.08371	1.1
239.53551	1.0
253.09326	3.7
267.11368	0.9
319.13126	1.2
381.23224	1.5
399.24142	2.5
408.16675	1.2
543.28210	56.7
544.28503	9.1
561.29199	55.3
562.29541	9.7
603.30072	10.8
604.31097	1.2
615.24707	1.6
629.23560	1.2
629.39423	2.1
639.23431	1.5
647.23730	2.9
647.34052	2.9
648.36316	1.3
659.89941	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.8
57.03335	3.5
59.01264	93.8
61.98709	1.9
69.03352	2.3
71.01268	63.7
71.56822	1.6
72.99196	3.7
73.02834	18.1
75.00765	7.3
78.95785	4.3
83.01270	8.6
84.02067	1.6
85.02838	27.6
87.00777	6.2
89.02334	16.5
95.01300	7.3
96.95906	15.4
96.96837	2.0
97.02866	2.4
99.00772	7.8
101.02342	30.5
111.00827	2.1
113.02354	30.0
114.14223	1.6
117.15864	1.5
119.03402	4.5
122.06020	2.5
125.02367	4.8
126.98049	1.5
129.01819	1.6
141.62151	1.6
143.03418	4.4
159.02928	2.6
161.04465	8.6
185.94073	1.6
201.11266	7.1
209.11855	5.9
227.12852	2.2
253.09453	1.9
257.12955	2.0
277.28683	1.9
301.11987	1.7
319.13007	6.0
399.23871	5.0
529.24359	2.2
543.28210	100.0
544.28601	16.1
561.29315	75.9
562.29694	11.2
571.25494	5.2
603.30066	11.1
615.24689	6.9
647.26074	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	647.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68540	0.7
57.03325	1.0
59.01001	1.4
59.01264	14.6
60.66541	0.8
61.98697	1.4
64.69724	1.0
69.39474	8.9
71.01267	4.9
75.00745	2.6
78.95777	2.3
81.03355	0.9
83.04890	3.1
85.02830	2.6
88.27604	0.9
88.98671	1.2
89.02322	3.4
94.02869	4.0
94.59952	0.9
95.01285	1.3
96.04423	1.2
96.95879	3.5
98.20583	1.8
99.00772	1.0
101.02308	3.7
106.06496	1.9
108.04430	3.2
113.02340	4.6
118.06522	1.0
120.04470	0.9
120.08083	2.6
122.05968	3.8
124.03899	3.8
124.07545	2.3
125.02362	1.0
125.09583	2.6
127.11174	2.8
130.06583	1.2
136.04005	4.8
137.04674	2.8
138.05553	6.9
144.04478	1.5
145.05119	1.1
146.06041	1.0
147.05499	2.3
148.03969	1.3
149.73923	1.0
150.05530	4.6
151.00291	1.1
155.10713	1.9
160.03973	1.3
161.03436	1.1
161.04634	3.9
162.05544	2.0
163.11218	1.1
165.09128	1.9
165.12785	1.4
168.06580	2.5
171.10162	2.5
174.05598	5.6
175.02560	1.1
175.05061	3.4
186.12808	1.7
193.03546	2.1
201.11423	60.7
202.11691	2.7
203.05777	2.8
209.11815	55.3
210.12230	4.1
211.08636	1.1
213.10312	8.0
214.66731	0.9
217.13373	3.9
223.08705	0.9
224.09598	0.9
227.08167	1.0
227.12631	4.6
229.09854	21.0
229.13316	8.1
230.10048	2.0
235.08141	2.4
237.10252	2.4
239.08220	1.2
239.11874	9.4
241.09863	4.0
241.13455	1.4
243.11317	1.4
245.12914	2.3
247.10854	2.4
253.09343	12.0
255.11380	6.2
257.13046	6.1
267.11349	2.7
269.12900	1.2
273.12448	7.1
275.13980	2.1
278.10724	1.1
279.11026	1.1
281.09058	1.1
285.12509	12.2
289.12030	6.5
291.11325	1.4
295.10849	1.0
297.12500	1.1
301.11990	21.3
302.12256	0.8
309.12442	1.7
317.11530	1.1
319.13058	100.0
320.13428	8.9
327.13559	9.0
330.12616	1.8
331.13083	1.1
342.12268	1.2
344.14310	1.6
345.15253	1.2
346.11810	2.4
346.15674	1.9
358.15628	2.1
359.12628	2.0
360.13480	1.4
360.17325	1.1
368.14020	1.1
370.15656	2.1
372.13504	4.2
373.13806	1.2
374.14871	1.3
376.16400	1.6
377.13858	5.5
379.19000	2.3
384.17352	1.3
386.15131	4.6
387.15720	2.3
388.16675	5.4
390.14444	2.1
391.15567	1.0
393.22809	2.0
400.16708	2.8
403.14993	3.5
404.16174	8.2
405.17029	5.4
406.17569	2.0
414.14331	3.7
416.15646	0.9
417.16632	1.1
418.14053	2.8
419.14578	1.9
428.16275	2.1
429.16849	1.6
432.15552	6.2
437.15652	5.9
437.20383	0.7
438.16483	1.1
445.20847	0.9
446.16943	3.6
447.18109	4.6
503.26782	4.7
509.25275	1.1
511.23514	3.1
529.24689	30.8
530.25024	5.8
547.25446	1.3
553.24835	7.7
554.24713	1.9
555.22296	1.5
571.25720	74.1
572.25922	15.1
574.24451	4.5
575.24677	2.0
585.23474	1.3
597.23389	3.0
603.27246	3.4
615.24713	69.8
616.24969	14.4
639.22766	2.6
647.27039	33.4
648.27240	7.0
649.95050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68540	0.7
57.03325	1.0
59.01001	1.4
59.01264	14.6
60.66541	0.8
61.98697	1.4
64.69724	1.0
69.39474	8.9
71.01267	4.9
75.00745	2.6
78.95777	2.3
81.03355	0.9
83.04890	3.1
85.02830	2.6
88.27604	0.9
88.98671	1.2
89.02322	3.4
94.02869	4.0
94.59952	0.9
95.01285	1.3
96.04423	1.2
96.95879	3.5
98.20583	1.8
99.00772	1.0
101.02308	3.7
106.06496	1.9
108.04430	3.2
113.02340	4.6
118.06522	1.0
120.04470	0.9
120.08083	2.6
122.05968	3.8
124.03899	3.8
124.07545	2.3
125.02362	1.0
125.09583	2.6
127.11174	2.8
130.06583	1.2
136.04005	4.8
137.04674	2.8
138.05553	6.9
144.04478	1.5
145.05119	1.1
146.06041	1.0
147.05499	2.3
148.03969	1.3
149.73923	1.0
150.05530	4.6
151.00291	1.1
155.10713	1.9
160.03973	1.3
161.03436	1.1
161.04634	3.9
162.05544	2.0
163.11218	1.1
165.09128	1.9
165.12785	1.4
168.06580	2.5
171.10162	2.5
174.05598	5.6
175.02560	1.1
175.05061	3.4
186.12808	1.7
193.03546	2.1
201.11423	60.7
202.11691	2.7
203.05777	2.8
209.11815	55.3
210.12230	4.1
211.08636	1.1
213.10312	8.0
214.66731	0.9
217.13373	3.9
223.08705	0.9
224.09598	0.9
227.08167	1.0
227.12631	4.6
229.09854	21.0
229.13316	8.1
230.10048	2.0
235.08141	2.4
237.10252	2.4
239.08220	1.2
239.11874	9.4
241.09863	4.0
241.13455	1.4
243.11317	1.4
245.12914	2.3
247.10854	2.4
253.09343	12.0
255.11380	6.2
257.13046	6.1
267.11349	2.7
269.12900	1.2
273.12448	7.1
275.13980	2.1
278.10724	1.1
279.11026	1.1
281.09058	1.1
285.12509	12.2
289.12030	6.5
291.11325	1.4
295.10849	1.0
297.12500	1.1
301.11990	21.3
302.12256	0.8
309.12442	1.7
317.11530	1.1
319.13058	100.0
320.13428	8.9
327.13559	9.0
330.12616	1.8
331.13083	1.1
342.12268	1.2
344.14310	1.6
345.15253	1.2
346.11810	2.4
346.15674	1.9
358.15628	2.1
359.12628	2.0
360.13480	1.4
360.17325	1.1
368.14020	1.1
370.15656	2.1
372.13504	4.2
373.13806	1.2
374.14871	1.3
376.16400	1.6
377.13858	5.5
379.19000	2.3
384.17352	1.3
386.15131	4.6
387.15720	2.3
388.16675	5.4
390.14444	2.1
391.15567	1.0
393.22809	2.0
400.16708	2.8
403.14993	3.5
404.16174	8.2
405.17029	5.4
406.17569	2.0
414.14331	3.7
416.15646	0.9
417.16632	1.1
418.14053	2.8
419.14578	1.9
428.16275	2.1
429.16849	1.6
432.15552	6.2
437.15652	5.9
437.20383	0.7
438.16483	1.1
445.20847	0.9
446.16943	3.6
447.18109	4.6
503.26782	4.7
509.25275	1.1
511.23514	3.1
529.24689	30.8
530.25024	5.8
547.25446	1.3
553.24835	7.7
554.24713	1.9
555.22296	1.5
571.25720	74.1
572.25922	15.1
574.24451	4.5
575.24677	2.0
585.23474	1.3
597.23389	3.0
603.27246	3.4
615.24713	69.8
616.24969	14.4
639.22766	2.6
647.27039	33.4
648.27240	7.0
649.95050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	647.2208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	4.4
59.69727	0.4
62.30885	0.5
67.82230	0.4
69.50394	0.9
69.50799	2.9
70.71703	0.4
71.01266	2.9
72.99177	0.9
73.02850	1.3
75.00755	0.9
85.02840	2.6
87.00783	0.5
95.01286	1.2
96.95913	2.2
98.19774	0.6
99.00769	1.4
101.02355	1.6
108.02078	46.6
109.02908	7.9
113.02371	2.1
113.09634	0.9
121.02870	1.1
123.00785	1.1
123.04399	0.6
124.03482	0.5
125.02324	0.5
135.04456	1.4
139.07585	1.0
151.03955	1.3
152.01093	92.0
153.01834	5.1
155.10704	9.9
156.11049	0.9
157.08643	24.5
158.08954	0.7
161.04498	1.2
163.03934	3.6
167.66603	0.5
177.01833	0.9
179.03461	0.9
199.09731	2.0
213.54915	0.5
217.10800	5.4
232.12288	0.6
254.98335	0.7
285.04028	0.6
296.41498	0.5
297.06073	0.7
299.18771	0.9
315.07364	1.7
353.50778	0.5
429.10458	8.8
430.10556	0.6
437.12387	0.6
447.11655	2.9
585.21912	1.6
587.19971	1.1
603.23114	3.4
604.23517	0.7
610.41431	0.5
610.97168	0.6
629.21442	1.1
635.12390	0.5
647.22046	100.0
648.22382	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12490	0.7
55.01758	2.3
57.03331	2.4
58.00467	2.3
59.01263	100.0
60.01583	1.5
61.98718	1.0
67.59208	0.8
69.03339	1.4
70.74773	1.6
70.75161	1.3
71.01270	27.7
71.04886	1.0
72.01595	1.4
72.99193	2.6
73.02836	12.1
75.00770	1.8
83.01286	5.4
83.04924	2.2
85.02852	8.6
85.06499	0.9
87.00774	2.0
89.02338	12.1
90.02682	1.1
95.01286	2.0
96.95895	3.2
97.02898	0.8
99.00777	2.3
101.02351	20.4
102.02723	1.1
113.02362	11.3
114.02662	0.7
115.07549	1.6
119.03401	3.7
125.02345	2.1
127.03994	1.0
131.03453	1.1
137.53053	0.8
153.95515	0.7
156.10245	1.2
158.11803	3.8
159.12202	1.2
160.54424	0.8
161.04489	1.8
163.11281	1.1
165.12798	3.1
166.13152	1.2
169.12347	1.7
171.10120	1.0
182.01241	0.7
183.13939	3.8
197.11821	17.4
198.12163	9.5
199.09918	0.9
199.12411	3.1
201.11234	0.9
209.11807	19.9
210.12184	10.5
211.12375	4.1
219.17519	1.2
225.11345	1.3
227.12895	4.2
228.13242	2.4
235.17030	0.9
253.09384	2.2
275.20224	1.0
293.21283	3.9
294.21744	1.1
311.22296	2.2
437.25464	1.2
447.22940	0.9
455.26788	3.7
473.27637	8.3
497.27716	22.7
498.28299	2.8
515.28705	32.8
516.28876	4.6
557.29749	69.1
558.30035	10.4
584.34375	3.6
585.34772	7.0
586.35449	1.0
601.39734	1.5
602.35376	4.6
603.35901	8.2
644.36670	20.8
645.37073	57.0
646.37354	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	643.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66600	0.2
52.00437	0.2
59.01263	1.7
60.96304	0.2
61.98718	0.6
71.01270	1.2
72.99197	0.2
73.02830	0.8
75.00770	0.6
78.69855	0.2
78.95783	0.4
85.02851	0.6
89.02337	0.7
94.50393	0.2
96.95913	1.0
99.04410	0.8
101.02361	0.5
107.04927	0.2
109.06505	0.3
109.22332	0.1
111.04433	0.3
113.02344	0.6
115.82833	0.2
118.82980	0.2
119.03412	0.2
121.06496	0.9
122.03670	0.7
123.04465	0.4
135.04446	2.5
135.08064	0.4
136.05228	41.2
137.02339	0.2
137.05664	1.2
147.08081	1.1
148.05188	0.2
149.06015	6.3
150.03165	0.2
150.06808	2.8
151.07549	0.8
152.99580	0.2
162.06798	1.9
163.07535	0.6
164.08385	3.7
165.01909	1.2
165.09157	25.5
166.09508	1.2
173.10742	0.2
179.03482	0.2
179.05669	0.2
179.07108	0.8
179.10666	0.2
180.04236	0.5
181.05063	0.2
195.06627	0.7
197.05994	0.2
197.11829	1.5
207.10339	0.4
209.11832	1.4
225.07626	0.8
225.11360	0.3
227.12755	0.2
327.21768	0.3
434.85638	0.2
448.32068	0.5
463.34424	1.9
464.34583	0.2
465.32074	0.2
466.33023	3.1
467.33221	0.4
479.34055	0.7
480.34705	2.3
481.35437	100.0
482.35797	14.9
525.93262	0.2
547.22394	0.2
643.41205	3.2
644.40594	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01799	0.3
57.00463	0.1
57.03352	0.4
58.00489	0.2
59.01260	4.0
59.37767	0.2
61.98732	0.3
66.66574	0.1
69.03339	0.7
71.01263	2.8
71.04932	0.2
72.99239	0.2
73.02862	0.6
80.02548	1.1
80.96426	0.3
81.03355	1.2
83.01314	0.6
83.04913	4.8
83.05358	0.3
84.02052	0.7
85.02870	0.6
87.00793	0.7
89.02341	2.1
95.01287	0.2
95.04909	0.9
96.95892	0.8
97.06521	0.2
98.19721	0.2
99.00812	0.2
101.02342	2.4
107.04951	0.2
109.06503	0.3
113.02368	1.7
119.03429	0.6
125.02370	0.4
125.06056	0.4
125.09681	0.3
135.08121	0.6
139.03955	0.5
141.09125	0.2
145.04990	0.2
146.99713	0.1
147.11781	0.2
150.06790	0.4
151.00365	0.2
151.07141	0.2
151.11237	0.2
153.09102	0.2
153.12767	1.0
161.04489	1.3
163.11232	3.6
164.11559	0.3
165.12781	2.2
169.12282	4.4
171.10176	1.0
179.05550	0.3
179.10722	0.6
181.12314	0.5
191.10745	0.8
197.11804	67.6
198.10326	0.3
198.12146	4.3
199.13377	0.5
201.11349	0.4
209.11809	100.0
210.12155	6.4
214.49097	0.2
223.13287	0.3
227.12885	14.2
228.13162	1.1
235.08231	2.3
235.13377	0.6
253.09332	8.1
254.09753	0.3
371.22125	0.4
389.23285	0.7
415.19739	0.4
433.20938	2.2
434.21289	0.2
445.20880	2.0
446.21307	0.3
463.21451	0.3
479.36911	0.5
480.38025	0.8
481.18469	0.2
481.37814	0.7
602.35486	0.2
607.31140	0.7
625.32367	0.8
643.22394	0.3
643.33838	0.3
644.36829	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	643.2618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33966	0.9
53.26834	1.0
58.00470	1.4
59.01263	100.0
61.98710	2.9
66.99934	0.8
71.01267	29.6
71.09657	1.0
71.56522	1.6
72.99199	2.3
73.02835	15.5
75.00768	2.8
83.01271	6.1
83.04914	2.7
85.02869	5.9
87.00764	2.6
87.04401	1.5
89.02354	8.5
90.34249	1.0
95.01293	1.1
96.95912	21.4
97.02863	1.1
99.00780	1.6
101.02343	17.7
106.09327	1.0
113.02361	8.2
117.98341	0.8
119.03418	2.7
122.29003	1.0
125.02400	2.2
125.09630	1.3
129.01752	1.0
139.03915	2.3
143.03354	1.1
161.04427	1.7
163.11256	2.1
165.12817	1.8
169.12286	2.5
171.10222	2.0
181.12271	1.4
197.11815	40.5
198.12093	2.2
199.13382	2.6
207.10144	1.3
209.11823	36.0
209.13817	2.1
210.12164	2.7
210.31393	0.9
224.76970	1.0
227.12880	9.5
235.08194	1.9
253.09335	3.2
273.18613	1.6
291.19797	5.9
293.21310	6.4
309.20816	2.3
349.20352	1.4
433.20877	2.5
435.24097	1.1
453.24869	3.9
471.26016	7.1
472.26019	1.1
495.26108	30.7
496.26523	4.7
513.27136	49.8
514.27460	6.0
555.28198	93.9
556.28552	13.8
599.29492	1.3
643.35010	1.5
644.33026	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	641.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16451	0.5
53.52618	0.6
55.01783	0.5
56.78323	0.6
57.03318	0.8
58.50603	0.5
59.01263	12.3
61.98713	3.3
69.03337	1.9
71.01270	8.3
71.58814	1.1
73.02827	1.2
75.00769	0.9
78.14639	0.6
79.95612	0.9
80.02580	0.8
80.96423	1.0
81.03357	2.1
83.01273	1.2
83.04921	2.5
85.02843	2.2
86.48507	0.6
87.00774	1.9
89.02333	3.7
95.04932	1.0
96.95914	1.9
97.02853	5.6
97.06520	0.9
99.00786	1.3
101.02345	6.2
102.46974	0.6
109.06500	24.8
110.03648	0.9
110.06782	0.8
113.02352	3.6
119.03415	1.6
121.06512	2.1
123.08096	0.7
125.09647	1.5
130.54390	0.6
135.08092	2.2
142.02650	2.1
145.04927	0.8
150.06772	0.7
153.09113	0.9
153.12793	2.0
161.04485	2.1
161.09630	1.9
163.11229	12.7
164.11530	0.6
169.12274	8.9
171.02910	0.6
171.10187	2.0
179.05611	0.7
179.10753	1.4
181.12303	3.3
185.11780	2.5
189.09094	1.0
189.12849	0.6
197.11804	100.0
198.12140	5.0
199.13338	0.7
207.10240	64.8
208.10693	4.3
209.11868	1.8
211.13391	3.1
225.00861	0.7
225.11317	34.9
226.11682	2.4
235.08260	3.9
237.11459	0.8
242.76315	0.6
249.15024	0.9
253.09280	9.2
299.14999	1.9
315.23343	1.0
325.21835	1.2
343.22824	0.8
359.22250	4.0
369.20660	5.5
377.23492	2.1
387.21829	12.5
388.22214	1.5
405.22961	5.4
433.20786	2.9
443.19266	4.0
455.68283	0.7
461.20386	10.3
461.26328	1.2
462.20654	1.9
471.15683	1.0
479.26724	1.0
479.37329	0.9
595.31323	2.7
605.29810	1.4
606.30573	0.8
613.04395	0.7
623.30829	26.4
624.31116	4.9
641.31891	35.2
642.32465	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	637.1789
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.4
60.54769	0.1
63.41304	0.1
71.01264	0.5
71.14220	0.2
75.00764	0.2
75.07195	0.1
85.02849	0.2
87.00751	0.1
89.02354	0.2
93.03366	0.2
95.01315	0.1
96.95899	0.3
101.02345	0.2
113.02380	0.3
117.03379	0.2
119.04958	0.3
123.00876	0.2
133.02902	0.2
141.07011	0.6
143.04962	4.0
144.05368	0.2
145.02890	0.4
151.00365	0.2
152.01149	0.2
157.06537	1.0
159.08104	1.7
181.06596	0.4
182.07343	0.5
183.08107	2.2
184.05241	0.2
184.08430	0.1
185.06055	9.5
186.06390	0.5
194.45419	0.1
214.06551	0.1
225.03772	0.1
225.05576	0.6
225.41006	0.1
227.07156	100.0
228.07494	7.1
251.07161	0.6
284.03333	1.9
285.03940	0.3
299.05692	3.1
300.06039	0.2
371.11389	0.9
372.11707	0.2
373.12979	0.3
389.12543	7.5
390.12695	0.8
431.13556	16.5
432.14008	2.0
433.15002	0.5
593.18927	1.0
594.18811	0.2
637.13458	0.3
637.22504	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93911	0.4
54.71607	0.4
59.01247	1.9
62.62550	0.4
69.74961	1.8
69.75394	1.2
71.01266	0.6
75.00753	0.6
82.02843	0.6
84.04449	0.6
85.02821	0.8
89.09221	0.4
91.09359	0.4
94.02872	0.7
94.06501	0.9
95.03622	0.5
96.95920	2.1
98.20537	0.5
100.72628	0.5
101.02338	0.6
106.06507	1.4
108.04446	2.9
108.08096	0.5
110.05996	1.8
113.02307	0.5
120.04396	0.6
121.05244	1.9
122.06041	8.9
124.07578	1.6
132.04453	0.5
134.06036	11.2
135.06828	2.7
136.03969	0.4
136.07616	4.5
137.04738	0.9
137.07919	0.5
138.05519	2.7
139.06259	1.3
140.07098	17.3
141.07382	0.5
146.06042	10.1
147.06822	1.0
148.07524	0.7
149.04749	5.1
150.05559	3.4
152.07120	2.1
153.04207	0.6
162.04254	0.7
162.05547	9.9
163.06279	0.6
164.03465	4.8
164.07126	8.9
164.56128	0.4
165.04100	0.4
166.05035	4.7
167.05786	2.5
176.11053	0.5
177.04167	0.6
178.04994	0.5
179.05795	3.3
187.08691	1.2
190.07468	1.1
196.07672	1.5
197.08441	0.9
198.09332	0.6
199.08659	0.7
200.10820	0.7
201.06741	0.6
211.10184	0.8
212.10904	3.5
213.10298	2.9
215.08241	0.5
215.11848	1.2
224.10818	0.4
225.06633	0.9
225.10336	1.2
226.07503	4.6
226.12373	18.8
227.08299	24.2
227.12007	4.0
228.08710	2.5
229.09790	1.8
229.13420	0.6
230.11888	0.7
231.11406	0.6
239.08252	4.2
240.09033	7.3
241.09836	38.3
242.10522	9.7
243.11351	5.7
253.09853	2.0
254.10591	5.4
255.11401	22.7
256.11649	1.9
257.09335	1.7
257.12796	0.9
259.10861	1.6
261.12457	4.3
267.11444	1.5
268.11908	0.6
269.12994	58.4
270.10165	2.4
270.13403	7.4
271.10901	4.4
271.14508	6.3
272.08041	1.7
272.11237	0.6
273.12503	9.5
274.12735	0.6
283.10916	1.0
284.11630	1.7
285.12454	6.3
286.09573	1.2
286.12689	0.8
287.10315	0.9
295.10883	1.2
299.10400	0.6
301.12012	8.7
302.12421	1.6
303.13535	25.9
304.13834	1.8
313.11993	18.2
314.12653	6.7
315.13522	9.1
316.10651	1.4
319.13144	0.8
321.14566	1.6
325.76590	0.5
364.16644	1.8
366.14725	2.6
372.96255	0.5
378.18356	1.3
380.16180	5.0
381.16806	2.8
394.17725	4.8
395.17834	0.6
408.15442	4.0
409.20264	1.1
410.20779	0.8
422.17145	2.1
438.16675	1.9
452.18475	1.2
453.19043	11.4
454.19543	3.7
531.26141	0.6
555.02997	0.5
573.27368	1.3
575.25208	35.8
576.25659	5.4
589.26563	1.0
599.25238	2.4
609.31921	0.6
617.26233	100.0
618.26550	18.9
625.19623	0.5
635.27246	31.8
636.18848	0.8
636.27753	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	635.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.7
59.01262	29.3
61.98715	3.1
69.33951	4.6
71.01266	4.6
72.99184	2.2
73.02809	1.5
75.00758	9.6
78.95804	0.8
79.03407	0.5
83.01274	1.0
83.04903	0.6
85.02837	2.2
85.76338	0.5
87.00777	0.7
88.98692	0.8
89.02319	1.6
96.95922	2.6
98.20502	0.9
99.00790	0.5
101.02314	2.7
111.04358	0.6
113.02354	2.4
116.92780	0.6
117.01859	0.5
119.03336	0.6
161.04475	0.5
171.10219	9.0
174.01659	0.6
201.11299	2.0
207.65564	0.5
209.11789	5.4
227.12773	0.9
255.03008	58.6
256.03397	5.1
268.03876	0.6
283.02524	28.0
284.03125	6.1
285.04062	1.2
297.03799	0.6
311.22293	4.7
313.03671	1.1
323.05682	0.7
325.23935	0.9
326.04446	1.1
381.09866	100.0
382.10181	11.6
387.23892	4.7
407.18976	0.6
412.27014	0.7
413.12497	91.8
414.12820	11.1
423.10461	0.9
446.08627	16.2
447.09210	1.9
449.87695	0.5
487.25296	1.0
531.31885	1.2
543.15448	3.8
544.15662	0.7
549.32727	2.1
591.34314	13.0
592.33917	1.5
635.30536	5.1
636.30896	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	634.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89125	0.2
53.06050	0.2
57.03333	0.6
58.00485	0.3
59.01263	9.0
61.98711	1.1
69.48116	2.0
71.01269	6.0
72.99204	4.7
73.02843	1.1
75.00762	91.9
76.01097	0.8
83.01270	0.7
85.02837	1.5
87.00788	0.4
88.98698	0.4
89.02338	3.8
95.01296	0.4
96.95283	0.4
96.95911	7.7
97.06470	0.3
98.95522	0.3
99.00768	0.5
101.02343	4.5
108.02065	0.3
109.02803	0.3
113.02342	2.1
113.05917	0.2
119.03421	1.5
120.04454	0.3
137.02385	0.3
148.03978	0.6
150.05537	0.7
153.12685	0.3
161.04588	0.9
174.11308	1.2
175.05014	0.4
185.11745	0.5
187.28946	0.3
191.03525	0.3
199.13385	3.6
215.12416	0.3
228.16090	1.0
232.08510	0.6
233.09109	0.4
241.09831	0.5
243.12383	0.4
244.09782	0.5
245.09341	0.3
258.17172	0.3
260.21887	0.2
281.17795	0.5
303.09747	0.3
305.11798	0.3
387.24106	0.3
397.06714	0.3
429.21286	1.1
442.20065	0.5
452.17853	0.3
466.23120	0.5
468.17618	0.5
470.19589	0.6
471.19592	1.1
520.27753	0.8
530.37506	0.3
591.29663	1.0
626.56903	0.3
634.34564	100.0
635.34961	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	634.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	0.7
59.01264	8.8
61.98716	0.4
69.32207	1.9
69.32639	1.5
71.01268	5.3
72.99192	5.2
73.02826	0.7
75.00760	100.0
76.01103	0.8
78.95778	0.4
82.02863	1.0
83.01263	0.9
85.02824	1.8
87.00747	0.6
89.02331	3.7
90.21536	0.3
96.95909	8.9
96.96860	0.7
98.95483	0.5
99.00761	0.5
101.02349	4.4
101.32864	0.3
113.02343	2.2
119.03441	1.2
120.04483	0.6
136.07637	0.6
148.03989	2.2
149.04608	1.5
150.05540	3.0
151.05861	0.7
154.04976	0.5
161.04697	1.1
162.05403	0.3
164.03487	0.7
169.12248	0.5
173.03470	1.5
174.04271	2.5
175.04872	0.9
189.06667	1.4
190.07417	3.3
191.07828	1.8
196.55197	0.3
199.13391	3.4
201.07935	0.5
215.08221	0.5
225.11327	0.4
228.16037	1.3
231.07759	2.1
232.08495	4.2
233.09070	1.6
234.09628	0.5
242.17616	0.4
243.07877	0.5
243.12347	1.0
244.08281	0.5
245.08926	0.6
258.17038	0.8
285.08997	0.7
286.09753	0.9
286.16476	0.4
304.10513	0.5
315.13736	0.6
316.13861	0.9
368.12366	0.4
398.17447	0.5
399.17834	2.5
410.17532	0.5
411.17300	0.6
435.17484	0.8
452.17963	0.5
453.18283	1.4
454.17133	0.7
468.17407	0.6
470.19327	4.5
471.19717	10.5
472.19803	0.8
493.03781	0.4
517.41235	0.4
520.27783	0.5
562.24115	0.6
591.30133	1.8
616.25104	1.5
634.26416	4.6
634.34583	95.9
635.26892	1.2
635.35059	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	634.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35112	0.4
57.03331	0.7
59.01263	7.6
61.98722	0.5
62.16414	0.4
67.32941	0.4
71.01266	5.1
72.99195	5.3
73.02827	1.4
75.00759	92.4
76.01096	0.9
78.95799	0.8
83.01264	0.7
83.02399	0.7
85.02859	2.1
87.00738	0.5
89.02333	3.8
96.95909	10.3
96.96852	0.8
98.02370	0.8
98.95492	0.9
99.00790	0.5
100.26653	0.4
101.02329	4.2
101.50760	0.4
109.02911	0.4
113.02334	3.2
119.03388	1.6
131.03395	0.5
136.07591	0.6
148.03952	0.5
155.23106	0.4
159.02777	0.4
161.04469	0.7
166.05075	0.7
174.23492	0.4
181.12122	0.5
185.11769	0.7
199.13393	3.5
215.08179	0.5
215.11775	0.5
216.12190	0.7
228.16049	1.4
241.09827	2.6
242.10175	1.8
243.12306	0.7
269.04617	0.9
269.13098	0.7
285.08948	0.6
286.09439	0.4
286.16684	0.4
303.09930	1.0
303.13348	0.5
304.10342	0.7
373.79492	0.4
381.09692	0.4
387.24063	0.7
413.12119	0.6
414.84763	0.4
452.17770	0.5
453.18600	0.7
468.08624	0.5
470.19360	1.3
471.19983	2.8
520.27026	0.7
591.29926	0.8
616.25317	0.8
617.26031	0.9
634.34546	100.0
635.34998	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12576	0.6
59.01318	6.5
63.02326	0.8
63.54442	0.7
65.99770	0.8
71.01332	2.3
71.19698	1.7
72.99251	1.2
73.02885	0.8
75.00831	5.3
78.95864	2.3
79.95702	2.1
82.02876	6.1
85.02895	1.1
88.98746	1.7
89.02400	1.7
94.02922	0.8
96.18251	0.7
96.95911	53.3
97.88364	0.7
98.95574	1.1
101.02430	2.0
108.04533	1.4
112.03999	1.0
113.02448	0.8
118.58827	0.6
120.04566	3.2
122.06111	1.5
122.75278	0.8
124.04054	0.9
134.06088	0.9
135.03207	1.0
136.07607	4.7
138.05600	1.1
139.02754	1.0
147.03288	2.1
148.03986	19.2
148.07619	1.2
149.04761	7.2
150.05533	25.3
152.03560	0.9
154.05128	3.0
160.04076	3.1
161.04753	10.1
161.07156	0.9
162.05627	3.1
163.02821	2.0
164.03484	6.3
164.07234	1.0
166.08795	2.1
173.03514	11.2
173.04805	1.7
174.04282	23.3
175.05142	8.6
175.06473	5.0
176.05785	1.1
177.06770	1.1
186.05692	1.3
187.06348	4.5
187.44269	0.7
188.07188	2.6
189.06644	15.9
190.05042	1.6
190.07436	26.6
191.06129	1.5
191.08162	3.3
192.03003	0.7
192.06725	0.8
193.47678	0.7
193.55557	0.7
199.07669	0.8
200.07114	3.3
201.07892	3.4
202.07294	1.7
202.08986	4.1
203.06166	0.9
203.08200	1.6
213.10384	1.7
214.05005	0.8
214.09189	0.9
214.11206	3.2
215.08170	4.9
216.06815	1.2
217.07529	2.0
217.09923	3.8
227.09616	1.3
228.06789	2.1
231.07761	20.0
232.08525	32.3
233.09213	6.4
241.10072	2.4
242.08379	3.3
242.10715	2.0
243.07930	4.0
243.11510	0.9
244.08644	7.8
244.10216	2.7
245.09189	5.1
246.07735	1.2
259.11066	1.3
261.08963	0.9
262.09674	3.7
263.10593	1.0
267.07959	1.9
268.08603	1.9
269.09879	0.8
285.04123	0.9
285.09012	3.3
286.09717	5.8
287.10486	2.2
288.08905	1.1
289.09653	2.8
303.10052	2.7
304.10849	2.6
305.11514	0.9
313.12271	0.8
315.13586	10.4
316.13922	1.1
337.10876	1.0
340.13202	3.8
398.17288	26.0
398.22437	1.5
399.17490	2.5
409.17975	2.0
410.17361	7.0
411.16418	1.1
428.18277	3.1
434.17282	3.1
449.15750	1.1
452.18372	13.9
453.16959	4.8
454.17090	1.0
467.16876	6.7
468.17593	1.7
470.19403	100.0
471.19757	14.2
496.16962	0.8
503.19876	1.8
540.34869	0.8
561.23468	4.7
591.24432	1.7
615.24774	7.5
616.25226	1.7
633.25629	36.4
634.25922	9.8
634.34808	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	633.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14917	0.6
57.03356	1.4
59.01268	6.6
61.98747	0.9
65.99763	0.7
66.03366	0.6
69.43437	1.1
69.43851	4.4
71.01274	3.6
72.99195	2.8
73.02896	0.6
75.00765	37.7
78.95806	1.4
79.01647	0.6
79.95657	1.2
80.45832	0.6
82.02878	6.3
85.02876	1.0
89.02383	2.3
96.04497	1.1
96.95913	25.5
96.96859	1.0
98.19771	1.1
101.02377	2.3
108.04493	1.8
109.02892	0.9
110.02439	1.4
110.03147	0.6
112.03986	1.6
113.02404	1.3
117.71550	0.6
119.03476	1.0
120.04523	2.4
121.02938	0.6
121.04077	0.6
122.06087	1.6
124.04011	1.0
129.05507	1.1
134.06052	1.3
136.03989	0.6
136.07620	4.0
137.62279	0.7
138.05550	1.0
139.02722	0.9
145.02974	0.6
146.02463	1.2
147.03183	1.5
147.04315	0.6
148.03987	21.8
148.05164	1.2
149.04788	8.7
150.05556	22.8
151.05917	1.3
152.07053	0.7
153.01941	0.8
154.05095	2.0
160.02850	0.6
160.03966	2.8
161.04793	9.6
161.07156	1.2
162.05582	3.1
163.02739	1.8
164.03499	6.5
164.07126	0.7
166.08716	2.6
172.07663	0.7
173.03526	11.6
173.04681	0.7
174.04303	24.8
174.05559	2.4
175.02809	1.1
175.05084	8.8
175.06409	4.0
176.05811	1.4
176.42719	0.5
177.06740	1.0
181.12338	0.6
185.06062	0.6
186.05525	1.7
187.06386	3.1
188.07158	1.5
189.06674	15.6
189.10426	0.9
190.05161	1.2
190.07449	25.3
190.81844	0.6
191.06027	0.7
191.08159	3.6
192.03067	2.3
199.13338	1.3
200.07133	3.2
201.07930	4.6
202.07143	3.6
202.08821	2.4
203.04384	0.8
203.06155	0.9
203.08333	2.3
213.06734	0.9
213.10434	1.3
214.11130	3.6
215.08250	5.3
216.06738	1.6
217.07452	2.6
217.09868	3.2
218.08327	0.9
218.10400	0.9
225.07843	0.7
227.09634	0.9
227.68279	0.6
228.06728	2.7
228.16002	0.7
231.07767	19.8
232.08551	39.3
233.09219	8.4
234.09589	0.8
239.08498	0.8
241.09755	3.3
242.08334	3.2
242.10513	1.1
243.07568	5.6
244.08655	9.6
245.07021	1.0
245.09407	4.8
246.07671	1.7
255.08035	0.8
259.10944	2.0
261.08862	1.3
262.09644	2.8
263.10373	0.8
267.07886	1.1
268.08572	2.2
269.09402	0.8
271.08398	0.8
285.08871	4.7
286.07010	0.5
286.09677	8.4
287.10278	1.9
289.09714	2.8
303.10037	2.7
304.10690	3.2
305.11270	1.0
315.13562	11.0
316.14026	0.7
337.10736	1.4
340.13092	4.4
356.16089	1.4
388.16919	0.9
396.15833	0.8
398.17303	23.6
399.17468	1.2
409.17578	2.1
410.17270	6.1
411.15598	0.7
428.18658	3.0
428.37552	0.6
434.17145	3.5
449.15848	1.1
452.18381	14.0
453.16852	7.0
467.17029	6.8
468.17731	1.5
470.19409	100.0
471.19705	13.5
496.16968	0.8
503.19611	0.8
561.23517	4.0
591.25140	1.2
615.24634	6.3
633.25732	36.0
634.25781	5.6
634.34668	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73919	0.6
59.01330	6.6
71.01360	3.1
71.56227	0.9
71.56597	0.7
73.02921	0.8
75.00858	2.1
76.81476	0.7
78.95895	2.0
79.95692	0.7
80.46960	0.7
82.02888	3.7
85.02915	1.4
89.02431	2.0
94.02962	0.7
96.04547	1.2
96.05541	0.6
96.95345	1.5
96.95917	32.3
96.96971	2.0
101.02459	2.3
108.04549	2.1
112.04032	0.9
113.02445	0.8
120.04574	3.0
122.06113	1.4
124.04007	1.1
129.05594	1.0
132.04539	1.3
134.06149	0.9
136.07600	4.7
138.05597	1.5
147.03291	1.5
148.03989	18.5
149.04802	7.7
149.05852	0.8
150.05559	19.2
151.06004	0.8
152.01128	0.8
154.05170	1.9
160.04138	2.6
161.04765	8.6
161.07268	0.9
162.05605	3.3
163.02834	2.0
164.03506	6.1
166.08803	2.6
172.07640	0.8
173.03542	10.8
173.04906	1.4
174.04301	19.5
174.05521	2.5
175.02908	0.7
175.05170	7.8
175.06477	4.1
176.05821	1.3
177.02147	0.8
177.06789	1.3
186.05710	1.3
187.06447	2.7
188.07219	2.0
189.06664	13.5
190.05139	1.5
190.05537	1.1
190.07454	24.3
191.06001	0.8
191.08307	2.6
192.03177	1.8
193.03929	0.9
200.07315	2.3
201.08087	2.6
202.03903	0.8
202.07555	3.5
202.08899	2.9
203.06313	0.9
203.08318	2.2
213.06555	0.8
213.10492	1.6
214.11288	2.2
215.06473	0.9
215.08304	3.6
215.70526	0.8
216.06920	1.5
217.07607	2.1
217.09991	3.6
219.11574	0.7
224.07202	1.1
227.09795	0.9
228.06770	1.6
229.07565	0.8
231.07767	16.8
232.08539	30.5
233.09160	6.9
241.09969	2.2
242.08354	3.5
242.10718	2.0
243.07640	3.9
244.08746	8.9
245.07094	1.1
245.09254	4.1
246.07837	1.7
259.11084	1.3
261.09009	1.7
262.09796	1.7
267.07947	2.2
268.04022	0.7
268.08707	1.8
285.09009	3.4
285.12259	1.1
286.07129	1.0
286.09790	5.9
287.10544	2.1
288.08810	0.8
289.09662	1.9
303.10010	1.9
304.10727	2.8
308.04648	0.7
315.13596	10.0
315.16986	0.9
316.14136	0.8
329.11505	1.3
337.10968	2.2
340.13019	4.0
369.14679	1.4
398.17282	23.3
399.17679	2.5
406.18109	0.8
409.17627	1.2
410.17337	5.6
411.16458	0.8
428.18356	3.3
431.10065	0.8
434.17224	3.6
449.16309	1.6
450.16238	0.8
452.18442	13.1
453.16739	6.0
467.17203	5.5
468.17917	0.8
470.19437	100.0
471.19760	13.2
496.17181	0.8
503.20004	0.8
521.56512	0.8
529.25293	0.7
561.23975	4.6
573.23383	3.5
589.27350	0.8
591.24585	1.7
615.24799	10.8
616.25385	1.9
633.25598	41.0
633.33264	2.8
634.25922	8.0
634.34198	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	633.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60447	0.3
57.01609	0.3
57.96061	0.3
59.01260	2.8
60.28790	0.3
61.98701	0.4
69.03316	0.3
69.70901	2.2
70.80766	0.3
71.01266	2.4
72.99197	0.8
73.02824	0.6
75.00764	0.5
81.03377	0.3
85.02838	2.2
89.02332	0.8
93.69485	0.3
95.01289	0.7
95.04935	0.4
96.95897	1.9
97.06509	1.5
97.93283	0.4
98.19872	0.5
99.00783	0.9
99.08065	0.5
101.02355	0.9
103.82918	0.3
108.02076	38.8
109.02906	6.0
113.02325	1.5
120.99579	0.4
121.02851	0.6
123.00803	0.8
123.04384	0.6
123.08034	0.5
125.02360	0.6
125.06004	1.2
135.04465	1.3
137.02390	0.4
141.09140	9.1
143.07077	15.7
144.07320	0.5
151.03896	1.2
152.01089	76.0
153.01836	4.8
161.02463	0.4
161.04457	0.6
163.03949	2.8
177.01906	0.8
179.03467	0.7
185.08139	1.6
203.09227	4.2
207.02882	0.6
243.12375	0.6
271.08365	0.4
315.07190	1.5
429.10474	6.7
430.10626	0.5
447.11475	2.9
546.00824	0.4
571.20313	1.0
573.18402	1.0
589.21564	3.0
590.21606	0.6
615.18762	0.8
619.46899	0.3
633.20477	100.0
634.20813	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	628.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02866	2.5
59.01265	2.2
61.98711	1.4
68.50275	0.5
71.01270	1.6
71.59261	0.9
71.87175	0.4
73.02839	0.5
73.03954	2.8
75.00745	0.8
80.61182	0.5
80.96443	0.5
82.02876	4.3
84.04442	0.6
85.02877	0.6
96.95913	2.0
97.04009	1.0
98.02369	1.6
100.03949	0.7
112.03965	1.1
115.05031	5.5
115.08679	3.7
127.08772	0.6
128.03458	98.0
129.03807	2.3
129.10234	4.8
130.08675	4.8
131.09000	0.5
136.11264	1.1
137.07123	1.2
138.05539	1.2
139.08659	1.4
140.07069	3.3
142.05028	1.3
153.05409	1.2
153.10306	1.2
154.08592	0.8
154.09801	10.8
155.08234	1.3
160.06065	1.2
167.11891	0.5
169.09811	3.0
169.13406	1.2
172.10872	6.0
180.10265	1.7
181.09891	0.6
181.13377	0.7
183.15031	1.0
193.13391	2.5
196.10895	27.9
197.09270	1.2
197.11154	1.1
197.12935	0.9
197.16664	0.6
199.77496	0.6
206.44276	0.5
207.15102	0.5
210.16046	3.6
211.14574	1.3
214.09903	0.8
214.11963	14.2
215.12288	0.7
225.16127	0.6
228.17200	6.0
240.17233	0.5
241.12029	2.1
267.18350	2.1
280.23993	1.2
281.22150	0.6
282.18253	0.9
285.03906	0.8
285.19467	1.4
309.19412	2.2
327.20361	2.7
328.18954	0.5
386.22980	0.9
410.52353	0.5
413.27597	0.6
485.29898	2.2
522.48016	0.6
584.33099	100.0
585.33435	17.5
610.34784	1.2
628.35864	27.2
629.26270	1.0
629.36218	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63123	0.4
55.01769	0.7
55.43417	0.4
57.03317	0.4
59.01263	14.5
61.87422	0.4
69.03329	0.7
69.98376	0.4
70.48781	1.3
71.01271	12.1
71.01670	0.6
72.99191	0.9
73.02825	1.8
75.00768	0.5
80.02561	0.8
81.03348	1.5
83.01268	1.5
83.04918	4.9
83.81573	0.4
84.02047	1.2
85.02858	2.6
87.00761	2.7
89.02339	12.8
95.01308	0.6
95.04903	0.5
96.95899	0.9
97.02844	1.8
99.00743	0.7
99.16862	0.4
101.01698	0.7
101.02347	9.1
101.02994	0.5
109.06473	0.4
113.02348	5.3
119.03419	3.6
125.02377	4.1
125.05994	0.7
135.08109	0.6
143.03423	2.9
144.96811	0.4
149.04465	0.6
161.04498	2.5
163.11212	3.8
165.12741	2.1
167.03470	0.6
179.05602	3.4
183.57133	0.4
185.04463	0.5
191.10809	1.0
209.11812	100.0
210.12180	6.6
217.07196	0.5
221.06721	1.1
227.12886	19.5
228.13181	1.1
235.08243	5.2
253.09225	1.3
254.98323	1.8
287.07733	1.3
305.08936	1.0
323.09888	1.0
379.12616	0.5
397.13580	33.1
398.13980	2.5
415.14673	19.5
415.18976	0.4
416.15009	1.6
607.26050	0.8
625.26678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2727
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77401	0.3
57.03329	0.7
58.00476	1.1
59.01266	20.5
60.01590	0.4
61.98706	0.3
69.03341	0.8
69.42651	0.6
69.43051	2.5
71.01270	14.8
71.01670	0.7
71.04916	0.3
72.01614	0.4
72.99189	1.5
73.02841	2.2
75.00758	0.6
80.02567	2.1
81.02950	0.4
81.03345	2.2
83.01271	1.8
83.04915	6.7
84.02055	1.4
85.02842	3.2
87.00769	4.0
89.02340	13.4
95.01266	1.0
95.04923	1.0
96.95889	0.9
97.02857	3.4
99.00780	1.2
101.02344	11.9
101.37312	0.3
101.69540	0.3
102.20096	0.3
109.02824	0.5
109.06484	1.4
111.00817	0.7
111.04402	0.4
113.02356	5.3
118.97997	1.0
119.03424	4.8
121.02862	0.5
125.02372	4.6
125.06009	0.8
126.30456	0.3
127.03908	0.5
133.05011	0.4
135.08041	1.3
143.03487	2.3
161.02451	0.5
161.04517	2.7
163.11237	5.6
165.12775	2.7
179.03497	0.6
179.05568	2.7
181.12338	1.3
185.04535	0.5
191.10709	1.2
194.05858	0.5
199.13393	0.4
207.10281	2.2
208.10628	1.2
208.28963	0.4
209.11819	100.0
210.12161	6.8
213.49049	0.5
217.07083	0.6
221.06664	1.1
225.11322	1.3
226.11603	0.8
227.12914	20.2
228.13275	1.4
235.08224	4.6
241.74452	0.3
242.08261	0.4
245.23515	0.4
253.09349	1.4
263.07813	0.8
277.09265	0.6
287.07782	0.8
305.08923	0.9
323.09879	0.8
379.12646	0.5
397.13589	36.3
398.13922	3.7
415.14685	19.6
416.15045	2.0
417.14832	0.5
607.26038	0.8
614.04437	0.4
625.26324	5.4
626.26917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84409	0.2
55.01754	0.4
57.03339	0.3
58.00481	0.8
59.01266	16.0
68.40671	0.2
68.99684	0.5
69.03331	0.7
69.41632	0.8
69.42052	1.3
71.01270	13.2
71.04871	0.5
72.99188	1.0
73.02830	2.1
75.00769	0.7
80.02567	1.5
81.03337	1.8
83.01267	2.0
83.04914	6.1
84.02063	1.2
85.02840	2.9
87.00766	3.4
89.02338	13.1
90.02674	0.3
93.36724	0.3
95.01258	1.0
95.04915	1.0
96.95918	0.8
97.02863	1.8
97.06503	0.2
99.00780	0.8
101.02342	11.6
102.02711	0.3
107.04980	0.3
111.00772	0.3
113.01617	0.5
113.02355	5.0
115.03886	0.3
119.03410	4.0
121.02855	0.3
121.05112	0.4
125.02370	4.4
125.06001	0.8
131.03452	0.7
133.02892	0.3
133.05008	0.3
135.08067	0.9
143.03427	2.6
161.04543	2.4
163.06087	0.4
163.11243	5.0
164.11441	0.3
165.12813	3.1
167.03355	0.3
179.03996	0.3
179.05582	3.3
181.12279	0.8
185.04550	0.3
191.10741	1.1
199.06027	0.4
199.13313	0.4
209.11821	100.0
210.12155	6.6
214.64586	0.2
221.06590	0.9
227.12898	21.9
228.13248	1.9
235.08243	5.1
236.08492	0.4
253.09367	1.3
263.07672	0.7
277.09296	0.4
285.04037	2.1
287.07758	1.0
305.08841	1.3
310.35577	0.2
323.09851	0.6
373.25729	0.3
379.12854	0.5
397.13586	34.2
398.13983	3.0
415.14658	21.8
415.53885	0.3
416.14896	1.6
461.07523	1.3
607.26489	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2683
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
59.01254	5.0
61.98727	1.7
67.38692	1.3
71.57421	2.0
75.00763	1.5
80.96397	2.0
99.55470	1.3
134.06065	2.2
139.67732	1.2
146.84331	1.5
209.11787	3.0
213.10378	8.4
249.14996	1.4
265.05099	1.4
299.14160	3.6
300.16653	1.3
306.15173	1.4
343.24796	1.5
385.14413	2.5
405.13107	1.7
421.16501	2.1
432.12317	2.2
433.13049	4.3
434.13699	2.1
447.14664	3.8
448.15292	8.5
449.16180	6.1
450.16617	1.9
463.17859	19.0
464.18826	2.7
477.19260	4.5
478.19971	2.9
479.20926	15.4
480.21155	2.6
491.17303	30.6
492.17676	5.2
502.33496	1.3
505.19000	4.4
506.19821	6.6
507.20010	2.7
523.19757	2.4
538.22302	29.6
539.22888	9.7
571.96155	1.8
593.24518	9.2
594.24365	1.9
625.26758	100.0
626.27057	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	623.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08192	0.1
55.01764	0.1
57.03320	0.2
58.04313	0.1
59.01257	0.9
63.02283	1.0
65.00204	1.0
68.99706	0.1
70.32184	0.4
71.01270	3.4
72.99208	0.5
73.02827	0.4
73.95758	0.1
74.23879	0.1
75.00758	0.2
81.03366	0.1
83.01263	1.1
85.02837	1.2
87.00763	0.4
88.98687	0.1
89.02314	0.3
89.02864	0.1
95.01287	0.5
96.95939	0.3
99.00773	0.5
101.02345	0.5
105.03342	0.5
107.01295	2.0
108.01576	0.1
109.02859	1.1
109.06509	0.2
111.00797	0.1
113.02345	1.4
113.85828	0.1
115.00304	0.8
121.02850	0.6
125.02377	0.1
133.02872	6.8
134.03233	0.1
135.04448	0.3
139.00394	0.1
143.05026	0.1
147.04460	0.2
148.01553	0.1
149.02357	1.7
151.00302	3.8
151.01523	0.2
151.03818	0.2
152.00670	0.2
157.02946	0.2
157.06461	0.1
159.04427	0.1
161.04515	0.1
163.11183	0.1
165.01646	0.1
167.04987	0.1
169.01436	0.2
169.06529	0.2
171.04501	0.3
173.02222	0.1
173.06023	0.2
174.03107	0.1
175.02509	0.2
175.03952	2.4
177.01845	0.4
183.04442	0.1
184.64325	0.1
185.05986	0.5
187.03970	0.2
189.05637	0.2
195.04512	0.1
197.06052	0.3
198.03149	0.4
199.03992	2.1
200.04291	0.2
201.01901	0.9
207.10239	0.4
211.03969	0.2
212.04750	0.3
213.05510	0.6
215.03500	0.4
217.05016	1.4
223.04031	0.2
225.11320	0.5
226.02655	0.1
227.03532	0.1
229.05090	0.3
239.03430	0.2
240.04288	0.3
241.05055	0.9
242.02159	0.1
243.03065	0.5
255.02809	0.1
256.03714	0.2
257.04675	0.5
267.03015	0.4
268.03961	0.1
283.02386	0.1
284.03342	2.7
284.06525	0.2
285.04092	100.0
286.04443	8.3
286.07822	0.2
297.04068	1.2
298.04807	0.4
299.05511	0.5
309.04041	0.3
313.03696	0.3
319.06656	0.3
325.03549	0.1
327.05148	5.5
328.05496	0.4
337.07794	1.8
338.08099	0.2
339.05136	0.4
340.05215	0.1
355.04208	0.2
357.06131	0.7
369.06180	0.2
371.07510	0.1
381.06259	0.4
397.13486	0.1
399.07239	0.4
400.07764	0.1
443.06387	0.2
444.06549	0.1
447.09320	0.1
461.07446	0.6
489.10501	1.7
489.17496	0.1
490.10834	0.1
561.12970	0.3
579.13214	0.1
623.12671	12.6
623.24390	0.4
624.12964	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	623.1266
Annotation	Luteolin 7-glucoside-3'-glucuronide
Peak:m/z	Relative Intensity
55.01772	0.2
55.05538	0.2
57.03336	0.7
58.00485	0.3
59.01264	2.6
59.24450	0.1
60.38625	0.1
60.52374	0.2
63.02280	0.3
65.00211	0.6
65.83592	0.1
71.01266	4.1
72.99207	0.9
73.02841	0.2
75.00756	1.3
83.01264	0.6
85.02842	5.4
87.00772	1.1
89.02335	0.7
90.56735	0.1
95.01285	1.2
96.95923	0.2
98.20029	0.6
99.00781	2.0
103.00291	0.8
104.09026	0.2
107.01292	1.2
109.02838	0.2
113.02355	5.3
114.02686	0.2
115.00298	0.5
117.01848	0.6
118.72079	0.1
121.02880	0.2
129.01878	0.4
133.01372	0.2
133.02870	3.5
147.04408	0.2
148.54912	0.2
149.02422	1.3
151.00311	3.4
169.01419	0.3
169.06648	0.2
171.04512	0.2
175.02446	1.2
175.03955	1.8
177.01898	0.3
185.06038	0.2
197.05989	0.3
198.03053	0.2
199.03960	1.7
201.01863	0.5
207.10214	0.3
211.04057	0.2
212.04803	0.2
213.05505	0.3
217.05048	0.9
223.03937	0.2
225.11346	0.2
227.03442	0.3
229.05037	0.2
239.03539	0.3
241.05092	0.6
243.02983	0.4
254.39305	0.2
255.02968	0.4
256.03711	1.3
257.04648	0.2
267.03024	0.3
269.04410	0.2
283.02509	0.3
284.03323	23.7
285.04086	100.0
286.04434	8.4
297.04074	0.7
298.04831	0.4
299.05545	0.5
300.06262	0.2
327.05167	3.6
328.05301	0.3
357.06131	1.4
365.49368	0.2
369.06381	0.3
381.06268	0.5
418.98672	0.2
443.06561	0.2
447.09387	15.1
448.09763	1.9
461.07343	23.7
462.07751	2.8
489.10672	0.3
503.08417	3.0
517.09784	0.2
519.11603	0.2
533.09204	0.4
623.12671	19.7
624.12982	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	623.1268
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	1.4
63.02286	0.3
71.01276	2.2
71.05230	0.4
71.05549	0.3
72.99187	0.3
74.72540	0.2
75.00755	0.4
85.02847	2.3
87.00774	0.9
95.01293	0.5
99.00796	1.1
103.00266	0.3
103.09731	0.2
103.25395	0.3
106.99014	0.3
107.01290	0.8
110.40954	0.2
113.02362	1.7
115.00269	0.3
121.02907	0.4
129.01848	0.3
133.02861	3.8
149.02386	0.9
151.00314	3.2
169.15167	0.3
175.02632	0.4
175.03975	2.2
198.03098	0.3
199.03973	1.7
201.01836	0.5
213.05510	0.5
217.04999	1.2
223.04279	0.3
241.05156	0.6
243.02962	0.5
256.03833	1.0
257.04501	0.3
284.03375	2.1
285.04105	100.0
286.04453	8.7
286.06873	0.2
297.04120	0.6
299.05603	0.4
327.05063	1.8
357.06189	0.7
443.06363	0.4
447.09476	8.6
448.09763	0.9
461.07355	20.8
462.07883	2.4
503.08508	2.2
583.66840	0.2
602.06805	0.3
623.12683	18.7
624.13104	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	621.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85112	0.4
55.01753	0.5
57.03340	0.7
58.33062	0.4
59.01262	93.2
60.01597	1.8
61.98716	1.5
63.69772	0.4
65.34225	0.4
71.01263	8.3
71.57102	0.5
72.99198	1.1
73.02832	3.2
75.00761	7.6
75.01151	0.7
78.95794	0.6
83.01279	2.1
85.02837	5.0
85.38602	0.4
87.00777	1.0
89.02328	3.4
95.01281	1.1
96.95939	2.2
97.02831	0.6
97.06491	0.5
99.00782	1.4
101.02339	7.6
111.00768	1.0
113.02381	3.5
119.03355	0.6
123.08062	1.8
125.02320	0.6
131.80713	0.4
133.02867	0.4
141.00356	0.5
141.01865	0.4
141.12814	0.4
154.78925	0.4
159.02966	1.0
159.06595	0.8
161.04553	1.1
171.13884	0.7
209.11795	0.6
253.09431	0.5
255.03001	11.2
256.03366	0.8
277.21765	2.6
283.02594	6.1
284.03268	1.9
295.22800	1.2
313.24005	0.5
351.35193	0.4
362.19543	0.5
381.09879	17.9
382.10007	2.0
399.10913	7.7
400.11182	0.9
421.26044	1.5
423.10989	0.5
439.27060	4.5
446.08658	6.9
447.08981	1.4
457.28152	5.8
458.28705	0.8
475.28955	2.4
501.31577	0.5
517.29767	0.5
535.31165	1.2
536.31738	0.4
543.14856	1.2
559.31366	0.6
577.32373	100.0
578.32678	17.0
621.32587	4.5
622.32263	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53172	0.2
59.01264	3.0
61.98710	0.4
68.99702	0.4
69.82331	0.2
71.01266	1.5
71.30492	0.3
71.56837	0.5
72.99184	0.3
73.02833	0.3
75.00748	1.3
81.03381	0.3
82.95306	0.6
83.02401	1.0
84.02036	0.2
84.95016	0.4
85.02859	1.0
89.02354	0.7
93.03365	0.4
95.01317	0.7
96.95907	1.1
99.00785	3.5
101.02345	0.7
105.03368	0.6
107.04943	0.3
109.02869	2.7
111.00788	0.3
113.02391	0.6
119.03474	0.3
119.04942	0.4
121.02871	0.6
123.00810	2.1
123.04446	0.4
125.02396	0.8
125.71698	0.3
133.02872	2.2
134.03650	0.4
135.04443	1.2
137.02370	8.3
138.02934	0.4
139.00281	0.5
139.03986	0.5
143.03419	0.3
147.04453	1.1
148.05269	1.9
149.02394	1.2
149.06023	0.2
150.03079	0.4
151.00307	17.6
151.03889	1.3
152.01108	1.4
152.04729	1.5
153.01872	0.3
154.02690	0.4
159.04448	0.5
161.02354	2.1
163.03929	0.8
164.04730	0.4
165.01845	0.7
166.02666	53.7
167.03191	3.4
173.02461	0.4
174.03154	0.3
175.03917	1.3
177.01877	4.0
178.02573	0.8
179.03485	1.1
180.51024	0.2
181.05025	63.4
182.05341	2.9
184.03780	0.9
188.04781	0.3
189.05473	0.3
190.06229	0.6
191.03499	1.9
192.04303	1.2
193.05028	1.1
195.02965	0.8
205.05070	0.8
205.08676	1.0
207.06668	1.1
209.04478	0.3
221.09216	0.3
235.02522	0.4
237.04060	0.7
255.03130	0.3
255.89807	0.3
269.04849	0.3
285.04120	0.4
301.07278	0.4
329.10571	0.4
341.10153	0.4
356.12851	0.3
357.09830	0.4
359.11392	1.5
371.14938	0.6
387.10931	12.4
388.11243	1.2
402.13269	6.1
402.18515	0.3
403.13629	0.5
417.15622	100.0
418.15973	11.5
445.05511	0.6
459.07153	0.5
563.21112	0.6
603.23914	0.3
620.34717	0.3
621.22101	1.4
621.33051	0.9
622.22168	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2572
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
50.14083	1.5
61.98716	4.3
71.28577	3.0
78.95795	100.0
83.04913	2.6
83.78811	1.7
96.96857	7.9
98.92805	1.6
117.19646	1.4
134.98517	1.8
152.98326	3.0
152.99527	56.2
163.11095	2.2
209.11823	25.4
210.12146	1.9
210.97565	1.4
227.12935	7.0
255.23335	76.9
256.23651	5.3
363.12207	11.4
391.22696	20.6
401.13953	2.3
409.23718	10.3
415.15918	2.1
416.16519	14.1
417.17090	2.5
430.17789	4.5
459.18365	91.4
460.18536	13.1
473.19937	16.0
474.20245	4.9
503.17422	3.2
518.19751	41.7
519.20123	7.1
532.21075	6.5
533.22052	78.1
534.22388	14.5
549.96649	1.5
587.23193	4.2
619.25677	73.9
619.36206	49.6
620.25970	18.5
620.36829	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	619.2578
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84794	1.3
57.03341	3.1
59.01265	47.5
61.98716	17.0
69.00823	2.9
71.01268	23.9
71.02386	27.6
71.04916	1.7
71.56695	2.7
72.00797	4.4
72.99189	3.7
73.02827	7.6
73.03967	1.5
74.02362	5.0
75.00758	10.1
76.04048	1.4
78.95787	4.9
81.03349	1.7
82.01614	12.6
83.01286	4.1
83.02373	2.1
83.04942	2.5
84.95058	1.2
85.02856	8.4
85.03970	3.7
86.00539	1.7
86.72189	1.4
87.00776	3.7
88.98681	1.8
89.02342	16.4
91.05449	2.2
93.03344	1.9
96.95909	40.5
96.96861	1.9
97.00330	4.7
97.03980	4.6
97.06481	3.1
98.01110	8.9
98.95472	3.3
99.00795	2.0
99.04385	1.7
101.02348	14.8
107.04931	1.9
107.66318	1.4
111.01913	5.5
113.02361	6.9
115.03775	1.3
116.04964	9.6
116.92772	2.1
117.28752	1.4
118.06551	9.9
119.03391	3.3
119.04933	9.4
121.06511	1.4
123.08085	4.7
125.02344	2.9
125.09674	2.0
131.03552	1.6
134.06053	4.6
135.04451	1.8
144.04497	5.3
146.06065	16.3
147.03204	3.8
158.02367	1.7
158.06079	2.2
160.04021	2.2
160.07645	3.3
161.04501	2.8
161.07149	4.9
162.05502	3.6
163.03961	7.9
163.08690	4.9
164.07106	2.3
171.10245	16.3
172.03966	2.7
172.06387	6.6
172.10585	4.2
173.07156	16.9
174.05559	2.9
179.05553	2.4
180.06621	30.2
184.08638	1.6
185.11807	1.6
186.05568	1.7
187.05136	3.2
189.06659	37.7
189.10368	2.5
191.08287	6.5
195.08159	5.7
200.05884	3.5
201.06790	1.6
202.05037	1.6
203.08238	2.7
209.09996	2.0
209.11771	8.8
210.12218	5.9
211.12486	1.8
212.08275	2.3
216.07805	3.6
221.09627	18.5
227.12825	1.8
229.06218	3.3
229.31395	1.6
234.09277	1.6
236.10780	5.8
237.09038	2.0
238.08615	2.5
241.34961	1.3
247.12480	5.3
255.99765	1.5
263.11978	3.7
266.11926	11.3
275.11972	3.1
276.10281	3.3
282.11426	2.2
291.11560	4.6
292.09888	2.3
293.13068	4.9
302.13217	2.6
308.14093	2.6
309.12350	1.8
320.11456	4.0
327.13495	14.1
336.13544	2.1
341.23276	3.5
350.15579	3.9
353.11536	2.3
353.23270	4.8
355.24893	4.1
364.15479	4.4
368.16580	2.8
371.24442	12.0
385.19254	5.2
394.19235	5.4
395.18494	1.7
411.17270	10.7
420.17273	7.9
429.18277	28.8
430.18478	4.2
438.18350	27.9
439.19055	2.7
455.16150	50.2
456.16754	5.4
457.17831	12.3
492.86548	1.6
515.28607	2.0
532.25818	1.8
533.29706	6.3
575.31287	64.2
576.24878	6.5
576.31464	7.2
591.26001	9.0
601.24426	3.9
602.23712	1.9
618.34839	11.0
619.25757	100.0
619.35187	38.9
620.25916	25.5
620.35419	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	618.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.9
57.03343	1.5
58.00481	1.0
59.01263	49.4
60.01588	0.7
61.98720	1.8
70.97488	0.6
71.01267	17.1
71.04893	0.4
72.01583	0.3
72.99220	1.5
73.02831	2.4
75.00758	1.3
78.95772	0.6
79.95643	0.3
81.65224	0.2
83.01264	2.3
85.02837	6.6
87.00777	1.0
89.02333	15.2
95.01285	1.3
96.08124	0.4
96.95913	6.7
96.96863	0.5
97.02853	0.3
99.00790	1.0
101.02345	14.6
102.02702	0.4
111.70474	0.2
113.02352	7.4
113.05967	0.5
119.03406	4.8
122.06094	0.3
129.01892	0.3
131.03485	0.6
143.03424	0.6
143.10712	0.5
144.39674	0.3
149.04463	0.3
159.02940	0.5
161.04503	1.2
165.12778	1.2
167.10707	0.7
174.11234	0.4
179.05577	1.1
183.12204	0.4
183.13861	8.0
185.11766	2.5
208.13350	1.2
209.11792	0.3
210.14980	1.1
224.16571	0.5
226.14500	0.4
226.18213	1.2
227.12744	0.3
228.16055	7.2
229.16364	0.5
238.18144	0.3
239.31403	0.3
253.21667	0.5
270.16962	0.3
281.17532	0.8
285.04117	0.4
341.19858	0.3
342.65390	0.3
390.21414	1.7
432.22336	1.0
450.23502	0.7
504.28293	0.8
575.30878	0.4
600.33948	2.0
618.35065	100.0
619.35437	16.0
619.43994	0.2
619.46088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44695	0.2
55.01768	1.0
57.03340	1.9
58.00478	1.0
59.01262	48.2
60.01603	0.3
61.98715	1.9
69.03362	0.4
69.62031	1.5
71.01267	19.9
71.04906	1.1
72.99184	2.1
73.02837	2.9
75.00747	1.8
78.95806	0.9
79.95644	0.4
82.95317	0.9
83.01276	2.3
83.02422	0.2
85.02322	0.1
85.02836	5.9
87.00779	1.0
89.02333	15.2
95.01284	1.7
96.08098	0.4
96.95907	12.9
96.96904	0.6
97.06511	0.5
99.00766	1.4
101.02341	15.4
102.02631	0.3
113.02356	7.9
113.06002	0.4
114.02668	0.3
119.03411	5.6
122.06068	0.3
122.60754	0.3
123.08073	0.4
125.02358	0.6
125.09648	0.3
131.03442	0.4
140.12077	0.2
143.03473	0.8
143.10747	0.5
149.04509	0.5
152.99576	0.3
159.02942	0.7
161.04523	1.5
165.12784	1.3
167.10722	0.6
169.12202	0.3
171.10223	0.5
173.27687	0.2
174.01675	0.2
174.11275	0.6
179.05589	1.1
181.15865	0.4
183.13853	10.3
185.11772	3.7
191.03419	0.2
193.91650	0.2
208.13379	1.0
209.11871	0.8
210.14954	1.2
222.14996	0.3
224.16537	0.6
226.14586	0.5
226.18175	1.6
227.12857	0.6
228.16043	7.1
229.16356	0.3
242.17566	0.6
245.14005	0.4
253.09349	0.3
253.21739	0.6
255.15709	0.3
255.19708	0.3
255.23294	0.5
270.17197	0.7
279.19830	0.4
281.17651	0.9
288.18353	0.4
341.19614	0.6
363.12735	0.3
390.21469	1.7
391.22675	0.3
432.22385	0.9
450.23486	2.1
451.23639	0.2
504.28061	0.9
558.33289	0.4
575.31549	0.4
600.33820	2.4
618.35034	100.0
619.35400	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	618.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	0.3
55.76913	0.2
57.03335	0.4
58.00483	0.5
59.01267	8.1
61.98713	1.7
69.91615	1.3
71.00896	0.4
71.01270	6.5
72.99196	6.4
73.02835	1.4
74.28568	0.3
75.00764	99.1
76.01098	0.8
81.09228	0.3
83.01279	0.9
85.02844	2.5
87.00759	0.8
89.02337	4.1
95.01268	0.7
96.95909	2.2
99.00764	0.7
101.02341	6.0
111.78339	0.2
113.02365	2.8
115.07571	0.6
119.03403	1.7
122.06123	0.3
130.38681	0.2
132.30098	0.2
147.03058	0.3
148.04001	0.8
149.04672	0.4
150.05504	0.9
150.09201	0.3
156.10257	1.2
158.11816	2.7
161.04585	0.8
168.13954	0.3
171.10219	2.5
172.10551	1.1
173.03423	0.3
174.04268	0.8
175.04756	0.5
179.05457	0.3
181.12227	0.3
190.07446	1.6
191.07916	0.4
199.13388	1.6
209.11842	1.6
210.12234	1.4
224.70528	0.2
226.08780	0.3
227.12930	0.4
231.07793	0.5
232.08524	1.4
233.08932	0.6
241.09758	0.4
243.12462	0.3
245.09151	0.3
253.09518	0.3
253.21715	0.3
286.09528	0.3
289.09448	0.3
297.17078	0.6
299.14096	0.5
303.09967	0.3
305.33081	0.3
314.94843	0.3
382.17752	0.7
383.18094	0.7
394.17816	0.3
395.18146	0.3
436.18613	0.5
436.24582	0.3
437.18872	0.7
451.32669	0.3
454.20120	1.5
455.20239	3.3
456.20334	0.5
462.17496	0.3
520.27673	0.6
600.25415	0.5
618.35077	100.0
619.35620	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	617.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00483	0.3
59.01263	4.9
59.85673	0.2
61.98727	0.8
66.43298	0.2
71.01266	4.0
71.04910	0.2
71.56262	0.3
72.99194	0.6
73.02847	0.7
75.00759	1.2
78.95769	0.3
80.02564	1.1
81.03381	0.8
83.01286	0.5
83.04916	3.3
84.02064	0.5
85.02842	1.4
87.00782	0.8
89.02335	3.3
89.02828	0.3
95.01300	0.3
95.04943	0.6
96.20209	0.2
96.95911	4.2
97.06515	0.3
101.02347	3.8
109.06558	0.2
111.08105	0.3
113.02360	1.9
119.03423	1.0
122.06032	0.3
125.02388	0.4
125.06030	0.2
125.09658	1.0
127.11209	1.9
131.03430	0.9
133.05058	0.3
135.08121	0.5
136.07620	0.4
139.03947	0.5
143.03452	0.3
145.05002	0.6
149.04535	1.3
153.09126	0.4
161.02365	0.3
161.04489	1.4
163.11250	2.9
165.12791	2.1
171.10222	100.0
172.10562	6.3
172.55414	0.2
179.05623	0.7
181.12343	0.5
191.05640	0.5
191.10774	0.7
192.04237	0.2
197.11826	1.2
199.13284	0.3
201.11281	0.9
207.10240	0.4
209.11816	92.0
210.12151	6.0
227.12889	13.4
228.13315	0.6
235.08235	3.6
236.08508	0.3
243.14880	0.4
253.09322	8.2
254.09627	0.6
269.12659	0.3
284.03195	0.4
287.14001	0.8
401.47015	0.2
407.19427	1.6
414.06659	0.3
445.21100	1.3
485.31119	0.4
573.27039	1.3
574.27014	0.4
581.29443	0.6
617.27100	0.9
617.35571	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	618.351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01753	0.6
59.01268	7.1
61.98714	0.5
71.01263	5.7
71.43981	0.7
72.99195	5.3
73.02839	1.0
75.00762	99.9
76.01100	1.3
82.02854	0.7
83.01261	0.4
85.02845	2.0
87.00746	0.4
89.02342	4.3
89.83352	0.4
99.00803	0.7
99.94089	0.4
101.02348	3.1
113.02348	2.3
115.07574	0.6
119.03426	1.3
136.07544	0.4
148.03999	1.9
149.04709	1.0
150.05540	1.2
150.09253	0.5
151.05933	0.6
156.10211	0.6
156.50424	0.4
158.11810	2.0
161.04506	0.4
164.03458	0.4
171.10205	1.8
171.78752	0.4
172.10519	1.1
173.03520	0.5
174.04280	2.0
190.07396	2.1
191.07861	0.8
199.13356	1.9
199.75861	0.4
209.11879	1.4
210.12222	1.0
213.03883	0.4
231.07700	0.9
232.08511	2.6
233.08998	1.4
242.08398	0.4
244.08424	0.4
245.08955	0.5
265.16980	0.4
286.09644	0.5
324.13779	0.4
334.41263	0.4
382.17761	1.3
383.17941	1.9
413.18539	0.4
436.18808	0.5
437.18970	0.5
438.18335	0.4
454.20026	3.0
455.20264	6.6
456.20560	0.5
468.17395	0.7
520.27612	0.8
618.35071	100.0
619.35461	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	618.35
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72577	0.3
57.03318	0.7
58.00469	0.4
59.01261	8.1
59.51645	0.3
61.98712	0.7
65.90925	0.3
68.50703	0.3
70.86961	0.6
71.01262	5.2
72.99191	4.5
73.02827	1.3
75.00758	94.5
76.01096	0.9
82.26469	0.4
83.01267	0.8
85.02841	1.7
87.00739	0.5
88.98713	0.4
89.02333	3.9
89.20626	0.3
95.01275	0.4
96.95921	0.6
99.00788	0.5
101.02340	5.2
113.02364	2.3
115.07536	0.3
119.03397	1.4
122.06033	0.3
147.37440	0.3
151.48694	0.3
156.10211	0.5
158.11752	1.9
171.10201	4.9
172.10597	1.7
199.13359	2.2
209.11816	4.3
210.12109	2.3
227.12875	0.9
228.15894	0.5
253.09291	0.5
253.21814	0.4
279.43768	0.3
291.49948	0.4
297.17105	0.4
309.10541	0.3
311.64136	0.3
320.17422	0.3
354.00287	0.4
371.24457	0.7
407.20200	0.3
492.12527	0.3
520.27679	0.7
587.85278	0.5
618.35040	100.0
619.35498	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	617.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.2
57.03330	0.2
58.54884	0.1
59.01262	3.3
61.98710	0.2
65.69967	0.1
70.71611	0.3
70.71938	0.2
71.01265	3.0
71.01615	0.2
72.99201	0.3
73.02449	0.2
73.02839	0.6
75.00777	0.4
80.02571	0.8
81.03334	0.9
83.01286	0.5
83.04913	3.7
84.02042	0.8
84.05238	0.2
85.02835	0.7
87.00775	0.6
89.02338	2.2
91.28095	0.1
94.06515	0.2
95.01271	0.3
95.04916	0.7
96.95919	0.3
97.02875	0.2
97.06477	0.3
97.64728	0.2
99.08029	0.2
101.02345	2.8
106.81555	0.2
109.06487	0.3
113.02365	1.5
113.48775	0.2
119.03433	0.5
123.08075	0.2
125.02368	0.2
125.05988	0.5
125.09633	0.7
127.11190	1.6
131.03410	0.2
133.04956	0.2
135.08093	0.5
139.03865	0.2
143.03433	0.2
145.04984	0.4
147.11751	0.3
149.04550	0.2
152.99527	0.2
153.09163	0.5
161.04491	1.0
163.11241	3.0
165.12801	1.8
171.10219	100.0
172.10547	4.9
179.05550	0.5
181.12283	0.5
191.10771	0.7
197.11838	0.2
207.10132	0.2
209.11810	92.6
210.12138	5.9
215.11925	0.2
227.12891	12.9
228.13307	0.7
235.08249	3.2
241.09889	0.8
245.30965	0.2
253.09314	7.9
254.09676	0.5
255.71053	0.2
285.09033	0.3
287.14026	0.2
303.10031	0.4
363.21875	0.3
407.19299	2.0
408.19666	0.3
436.18829	0.2
445.20844	1.3
454.19739	0.8
463.21808	0.2
581.29498	0.3
617.24329	0.2
617.34381	0.3
618.24286	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	617.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16400	1.2
56.11010	1.0
57.03344	2.1
59.01263	35.1
61.98709	3.6
64.27837	1.1
66.78555	1.0
71.01267	15.5
71.56377	1.5
72.38174	1.1
72.99196	6.1
73.02829	4.3
75.00765	79.0
78.95755	1.4
82.02890	5.1
83.01276	3.1
83.04925	2.4
85.02845	5.1
87.00777	1.6
89.02346	9.1
95.01276	1.6
96.95923	10.6
97.02896	1.1
98.10452	1.1
99.00771	2.4
101.02335	10.3
112.03896	2.6
113.02348	5.6
119.03432	1.9
120.04469	2.9
121.03967	1.1
122.06052	1.4
123.04626	1.4
125.02370	1.5
125.09660	1.3
134.06021	1.7
136.07629	4.5
139.03943	2.0
147.03157	2.7
148.03979	22.6
149.04779	10.1
150.05548	22.7
150.09175	5.5
154.04985	1.8
160.04007	2.8
161.02379	1.5
161.04707	8.8
161.07127	1.8
162.05482	3.6
163.02695	2.6
164.03439	7.7
171.10228	44.7
172.10553	2.2
173.03526	9.4
173.04817	2.3
174.04305	25.7
174.05597	2.2
175.02618	1.6
175.05032	5.8
175.06390	3.9
176.05875	1.7
187.06374	4.0
189.06654	10.3
190.07443	31.9
191.06017	2.0
191.08022	3.1
197.11868	3.0
199.13382	3.3
200.07204	2.8
201.07924	3.8
201.11292	2.9
202.07376	3.7
202.08873	3.3
203.05881	1.3
203.08144	1.9
209.11826	35.8
210.12148	2.7
210.48430	1.2
213.10355	1.1
214.11069	3.4
215.08284	2.2
215.11757	1.8
216.06790	1.6
217.07556	2.6
217.09712	2.7
225.11386	1.5
226.11580	1.4
227.12868	11.4
228.06670	2.4
231.07747	14.8
232.08531	36.4
233.09201	7.5
241.09862	6.4
242.08330	2.4
242.10597	2.7
243.07832	3.4
244.08311	10.9
245.09267	3.6
253.09364	4.6
259.10904	3.1
262.09641	3.4
268.08701	1.8
285.08835	4.1
286.09799	6.5
289.09415	3.2
299.14093	11.7
303.09943	5.4
304.10724	5.2
313.11972	3.1
324.13742	5.6
325.11716	1.3
337.11002	2.0
340.16776	2.3
379.00146	1.3
382.17746	27.3
383.18057	3.5
394.17914	6.7
412.18973	2.7
418.17978	2.7
436.18872	21.1
437.17328	8.4
449.16025	2.2
454.19943	100.0
455.20212	14.3
466.16037	1.9
467.17212	7.9
545.24207	3.9
557.31256	2.0
573.29095	2.1
575.25098	1.7
599.24683	6.6
616.33484	6.9
617.26227	27.3
617.34106	24.6
618.26880	5.5
618.35107	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2308
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59344	0.6
58.44225	0.6
59.01265	21.6
61.98717	19.0
63.81012	0.7
71.01270	14.0
71.56188	1.4
72.99199	1.7
73.02838	11.9
75.00762	2.4
83.01269	7.0
83.01730	1.0
85.02842	2.5
87.00784	4.1
89.02345	2.8
95.01304	0.6
96.95913	3.6
97.02863	0.6
99.00784	5.7
100.01612	3.1
101.02350	10.1
102.02637	0.7
108.02100	4.2
109.02869	0.7
110.07278	0.5
111.00800	8.2
111.55877	0.6
111.66561	0.6
113.01663	0.8
113.02364	4.5
113.99503	36.4
115.00297	15.7
118.38985	0.6
119.03403	1.6
125.02451	0.6
128.01088	4.1
137.05946	0.6
139.00317	3.5
141.09128	1.1
143.03441	1.1
149.04518	1.6
152.01108	8.4
156.00592	48.7
157.01425	3.5
161.04489	3.4
174.01657	100.0
175.02368	7.6
179.05440	0.6
198.66988	0.6
231.13907	1.5
269.04715	0.8
285.04150	0.6
287.16602	5.1
327.65765	0.7
420.51312	0.7
447.11511	1.8
471.22455	1.4
509.23956	2.2
511.21970	11.9
512.22546	1.8
553.23425	1.6
615.18713	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	614.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02863	3.5
59.01262	5.2
61.98716	23.7
66.03362	0.7
71.01273	2.3
71.55933	1.0
73.02853	0.8
73.03962	4.9
75.00768	2.4
78.95779	1.0
82.06517	1.3
84.04462	3.7
85.02852	1.5
89.02330	1.3
94.06562	1.2
96.95907	6.0
97.03972	1.2
98.02383	2.8
100.08747	0.6
101.02357	2.2
102.05510	34.6
108.02091	5.0
109.02816	1.1
113.02354	1.5
113.99497	1.2
114.08529	0.7
115.00285	0.9
115.05054	14.5
115.08689	9.6
119.03455	1.3
119.10728	0.7
127.08705	1.4
128.03459	93.5
129.03821	3.4
129.10229	4.8
130.08662	21.1
137.07133	0.7
138.05554	1.3
139.08691	1.0
140.07100	5.6
146.04532	27.5
152.01091	10.6
153.05403	1.0
153.10269	1.5
154.09810	11.7
154.12379	0.9
155.08188	1.7
155.11861	2.2
158.87138	0.6
164.14369	0.6
165.01921	1.5
169.09811	0.8
171.12224	0.7
171.14961	6.7
172.10866	7.0
180.04259	0.8
181.13451	1.1
183.15001	2.2
185.11771	1.8
188.85774	0.7
193.13435	1.4
195.06601	1.2
195.14989	1.5
196.10883	25.1
197.11211	1.1
197.12900	1.3
197.16493	1.0
199.18167	2.6
207.14980	1.2
208.13452	1.2
210.16136	0.9
211.14542	1.1
214.11990	10.5
215.13948	4.3
225.16121	2.9
228.17108	1.3
241.12039	0.9
242.18855	1.2
243.17178	1.6
259.13068	0.8
268.20239	0.9
280.24020	1.8
284.23410	1.6
298.25079	3.3
309.19238	0.7
328.22449	2.8
342.23785	1.2
355.27048	1.6
380.75067	0.7
423.26321	0.8
427.29364	2.7
429.10535	0.9
441.27264	25.7
442.27863	3.2
467.28955	1.8
485.29959	8.7
486.30188	1.5
526.32257	1.5
570.31537	85.1
571.31915	13.3
579.30304	11.7
596.33398	2.1
614.34210	100.0
615.23981	9.3
615.34686	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	613.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	2.9
59.01267	2.1
61.98711	1.4
71.01264	3.7
71.57268	0.5
72.99200	1.6
73.02833	1.0
74.00950	0.4
75.00770	1.2
78.95776	0.4
80.96425	0.5
85.02830	2.6
87.00747	0.5
89.02336	1.0
95.01296	0.5
96.95921	1.7
97.02848	0.6
97.93668	0.4
99.00787	1.0
101.02333	1.1
108.02077	46.0
109.02901	7.1
111.00777	0.6
113.02335	2.5
115.00314	1.1
121.02870	0.8
123.00817	0.7
123.04464	0.8
125.02367	0.9
125.06017	2.1
133.02881	0.6
134.03561	0.5
135.04488	1.8
135.05458	0.3
147.04636	0.3
149.02467	0.4
151.00359	0.7
151.03941	0.9
152.01089	100.0
153.01653	5.4
159.10233	0.6
160.89243	0.9
161.04521	1.0
163.03949	4.7
175.02484	1.2
175.03893	0.5
177.01918	1.1
179.03378	0.7
183.10216	5.8
194.55083	0.4
207.02974	0.6
252.20322	0.6
254.98172	3.4
255.03072	1.1
272.02826	0.4
283.02475	1.0
284.03375	0.5
285.04120	0.9
297.06290	0.8
315.07330	1.3
417.86301	0.4
429.10477	11.4
430.10794	1.3
447.11603	10.5
448.11905	1.3
553.32507	0.5
576.06433	0.4
613.21509	90.4
614.21820	15.8
614.31952	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36522	0.1
55.01767	0.4
57.03338	1.2
58.25003	0.2
59.01265	0.9
61.98721	1.1
62.13902	0.2
64.54823	0.2
64.70128	0.1
67.25410	0.2
69.03345	2.5
69.28088	1.7
71.01263	2.2
71.04902	0.6
72.99194	1.1
73.02834	0.7
73.41898	0.2
75.00774	1.2
79.42018	0.2
81.03374	0.2
83.01286	0.5
85.02842	2.0
87.00746	0.3
89.02377	0.4
93.03378	0.2
95.01293	0.8
96.32307	0.2
96.95918	0.3
97.02854	0.3
99.00761	0.9
101.02347	1.1
107.01277	0.2
107.04941	0.2
108.02076	48.9
109.02895	8.7
110.03181	0.2
111.08070	0.3
113.02337	1.6
113.05982	0.2
116.92763	0.3
119.04938	0.2
121.02850	0.7
123.00807	0.5
123.04404	0.4
123.52834	0.2
125.02357	0.5
126.97873	0.2
133.02873	0.3
134.03642	0.5
135.04472	1.0
137.02341	0.4
139.11223	2.1
143.43768	0.1
145.05003	0.2
147.04503	0.2
150.47794	0.2
151.00269	0.3
151.03984	0.8
152.01089	100.0
153.01746	5.2
161.02461	0.2
161.04492	0.6
163.03960	3.9
164.04283	0.2
165.01892	0.3
175.03929	0.4
177.01865	1.0
179.03444	0.8
183.10239	1.9
187.03879	0.2
207.02957	1.2
219.02869	0.2
237.04030	0.2
271.08145	0.2
297.06186	0.7
315.07275	1.3
429.10446	12.0
430.10632	1.4
447.11569	5.0
448.12106	0.3
613.21490	74.4
614.21808	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	613.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	8.4
61.98715	10.6
63.50402	4.9
71.01265	12.8
71.07192	8.9
75.00751	9.6
79.01749	4.4
81.03345	13.6
82.22863	4.9
83.01273	12.2
91.43383	5.2
93.03353	17.0
95.01295	8.3
95.04938	5.2
96.95889	7.1
97.02877	8.9
99.00778	11.7
101.02334	5.2
107.01286	7.0
109.02876	22.5
111.00760	7.5
111.04387	8.4
113.02334	8.6
117.03364	6.0
119.04922	7.1
121.02854	16.3
122.03677	4.5
123.04443	24.9
125.02382	38.2
133.02869	15.5
135.04431	9.5
136.04721	5.2
137.02411	29.5
139.03940	8.4
147.04431	10.5
149.02411	24.1
151.03928	21.4
152.01060	5.4
153.01872	19.9
161.02365	22.2
162.02742	5.9
163.00266	8.2
163.03934	15.0
165.01863	20.1
166.02634	7.4
167.03485	25.7
175.03966	9.5
177.01860	23.1
178.42842	5.1
179.03430	27.1
180.04169	12.1
181.01419	7.2
181.04924	5.0
182.02179	4.8
183.02907	7.4
187.04024	5.2
189.01854	8.4
190.02597	5.7
191.03487	26.3
192.03941	5.5
193.01379	12.3
193.05098	5.3
195.02943	18.3
203.03496	9.0
205.01363	15.0
207.02847	23.4
209.04524	48.8
212.93831	5.4
213.05589	6.8
219.02979	44.5
221.00876	9.2
221.04443	9.5
223.02437	16.6
224.84918	4.6
225.03961	12.4
233.04570	8.3
235.02419	31.4
237.04010	19.4
239.05753	22.4
245.04724	5.3
247.02454	6.8
249.04100	19.5
250.04208	5.8
251.01929	7.2
253.03268	5.5
257.07922	4.9
259.06131	7.9
263.01993	7.7
265.03522	28.9
277.03421	11.7
279.05112	13.5
283.06305	9.2
295.04822	5.8
297.07611	16.5
301.07175	5.1
309.06296	6.9
311.05594	11.0
313.06888	6.7
323.05429	7.4
325.06970	5.3
339.07681	5.5
341.06647	15.1
353.06693	33.8
355.06989	5.8
357.06219	11.5
369.06070	13.6
371.07666	14.7
383.07489	16.9
385.05710	21.0
387.07126	6.3
399.07797	7.5
415.06808	21.2
419.12061	12.6
431.09796	6.6
443.09973	10.3
447.10458	8.0
457.10098	34.7
458.10468	7.7
459.09399	13.7
461.10751	8.0
463.08932	12.4
473.10864	5.3
475.09323	26.6
476.10715	19.0
477.10532	6.2
487.09448	5.4
489.10400	6.1
493.10135	18.0
503.11951	6.6
505.10004	23.4
506.10654	9.3
523.11072	8.6
563.14136	83.2
564.14307	18.2
579.13489	38.0
595.13068	22.9
596.13910	29.0
613.14276	100.0
614.14398	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	611.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67551	0.5
57.03353	0.5
59.01264	100.0
60.01611	1.2
61.98719	3.5
63.98937	0.5
68.05185	0.5
69.25347	0.5
71.01273	3.2
71.59488	0.7
72.99217	1.3
73.02824	1.2
75.00777	1.0
85.02845	1.3
87.00758	0.5
88.98689	2.6
89.02331	2.6
91.00227	0.5
91.21417	0.6
93.03369	0.5
96.95922	3.9
101.02374	2.3
113.02387	1.5
121.02887	1.2
122.03656	1.2
123.00786	0.6
135.04491	0.6
149.02382	8.7
150.03180	10.9
161.02350	0.7
161.04604	0.6
163.04007	1.5
164.04758	4.1
165.05521	15.1
166.05893	0.6
167.29935	0.5
178.06316	1.7
180.04301	1.0
193.08711	1.7
195.06606	19.5
196.07027	0.9
229.17574	0.5
232.43675	0.6
269.04697	0.6
285.04041	0.6
301.33450	0.5
326.11691	4.1
341.14035	22.6
342.14371	2.4
389.16165	4.5
431.26328	0.6
492.72745	0.5
567.28235	1.1
611.33356	5.6
612.32587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01602	1.5
61.94368	0.4
61.98717	2.5
64.89674	0.4
71.01266	5.4
71.27956	1.0
72.99199	0.6
73.02841	0.8
75.00771	1.0
81.89201	0.3
85.02866	1.4
87.00827	0.6
88.98705	1.1
89.02329	5.0
93.03354	0.4
96.95903	1.8
99.26066	0.3
101.02340	3.1
113.02359	2.8
115.03887	0.3
119.03443	1.7
121.02864	0.7
122.03677	1.9
131.03447	0.3
135.04483	0.4
142.28894	0.4
143.03453	0.9
149.02388	4.2
150.03165	16.0
151.03510	0.9
152.99524	0.4
161.02425	0.6
161.04466	2.0
162.03323	0.5
163.04024	1.7
164.04762	1.1
165.05515	26.3
166.05934	1.2
177.05614	0.4
178.06293	1.0
179.05490	1.8
180.04282	1.2
193.08702	1.6
195.06606	41.6
196.07007	1.6
237.04025	0.6
247.59351	0.4
285.04242	0.5
297.11243	0.3
341.14084	1.1
355.56418	0.4
389.16299	1.4
568.28394	0.4
569.33850	0.6
584.15900	0.4
611.34253	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	611.1269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	1.8
59.87386	0.7
61.98713	2.3
65.86055	0.8
68.99698	3.1
70.73969	0.7
71.01272	7.7
71.56187	1.0
73.02856	0.7
75.00760	23.9
75.68768	0.7
91.05447	1.8
93.03368	1.5
95.04922	1.4
96.95890	1.2
99.00780	38.7
99.55597	0.7
100.01098	0.9
101.02377	1.4
103.05435	3.5
105.03355	4.2
107.04946	1.6
108.02062	1.3
109.02866	43.0
110.03207	1.3
111.00797	0.8
113.02327	0.8
117.03363	1.7
119.04948	6.8
121.02203	0.8
121.02893	8.4
122.48411	0.8
123.04450	1.9
125.02293	0.8
126.10669	0.7
129.03397	1.9
131.04884	0.7
133.02884	31.8
134.03677	2.4
135.04446	18.3
137.02379	2.0
139.00323	3.1
140.01088	0.9
145.02841	2.3
147.04463	20.0
148.05272	5.4
149.02386	2.7
149.06023	11.8
150.03181	0.7
150.06390	1.3
151.03966	2.7
152.01097	2.0
153.01886	8.2
154.02629	2.1
155.03461	1.5
161.02393	100.0
162.02760	3.3
163.03964	13.0
167.03467	1.6
168.04247	2.8
173.02441	1.4
175.03969	3.0
177.01888	7.4
178.02522	0.9
179.03432	7.8
191.03476	28.5
192.03903	1.0
193.05045	18.7
194.05415	0.9
197.86023	0.7
207.06723	1.0
213.11168	0.8
219.02982	38.5
220.03276	1.3
235.02518	3.1
237.04062	85.2
238.04419	4.4
251.05623	3.0
279.05179	2.4
309.06219	0.8
317.08777	4.6
339.07297	2.1
396.92087	0.8
399.09363	7.6
400.09747	1.3
401.04745	1.2
420.58752	0.8
491.08270	0.9
500.64401	0.8
567.13684	3.3
611.15125	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	609.415
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	0.9
69.03333	1.1
69.98463	2.8
71.01269	1.1
78.95804	1.3
95.04926	34.9
96.05213	0.8
111.08029	0.6
125.09657	0.7
150.02971	1.0
178.07877	0.6
179.14389	1.5
189.05241	2.2
195.13898	10.2
196.14519	0.7
197.11720	0.7
205.12340	1.2
209.11821	4.3
211.13490	1.2
223.13405	9.4
228.13525	0.8
246.12361	12.2
256.13324	0.9
275.20145	3.1
278.11411	64.9
279.11633	3.6
293.21295	100.0
294.21631	8.8
299.11844	0.6
307.19135	1.3
315.19476	32.8
316.19846	3.5
329.23541	1.0
359.18097	0.8
471.26108	0.7
572.32062	3.6
573.32898	1.3
608.74127	1.2
609.41528	19.2
610.41840	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	609.4148
Annotation	Manadomanzamine B
Peak:m/z	Relative Intensity
55.25010	0.7
58.00503	0.8
58.49382	0.8
59.01265	4.3
61.98744	1.0
62.59142	0.8
65.74719	0.9
71.01274	2.2
71.56976	0.9
83.04964	0.8
84.71885	0.8
86.05774	0.8
87.00803	1.1
91.09686	0.7
95.04932	3.2
96.85823	0.8
97.06512	1.1
97.21641	0.8
109.06474	1.1
121.10146	23.3
122.10559	0.9
125.09664	2.7
127.11286	1.0
141.29530	0.8
147.89233	0.8
149.09685	1.2
163.11281	1.1
165.24052	0.8
167.57040	0.8
169.12341	1.4
171.10220	63.5
172.10568	3.8
177.16481	1.3
179.10590	1.0
183.13902	2.2
185.11815	2.8
191.06892	1.0
192.11455	0.9
197.11784	2.7
198.12109	1.1
207.10115	4.4
209.11832	9.9
210.12206	1.1
211.13423	0.8
223.13370	1.0
225.11246	1.5
231.21141	5.1
275.20206	70.4
276.20569	6.9
278.11404	7.2
293.21283	81.9
294.21616	7.2
297.18457	1.4
307.19342	3.0
315.19452	46.0
316.19794	4.9
329.17487	1.2
356.84402	0.8
359.18423	10.2
360.18799	1.1
375.27817	1.0
487.29395	1.5
527.71692	1.5
591.35504	1.5
608.74493	1.7
609.41608	100.0
610.41833	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	609.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61226	0.6
55.01766	2.0
57.03320	2.1
58.00463	1.3
59.01265	41.0
61.98708	2.3
69.03345	1.4
70.51310	2.2
71.01269	43.4
72.01616	0.9
72.99194	5.9
73.02830	10.8
75.00767	2.9
81.03367	0.6
83.01293	3.4
85.02846	15.2
87.00764	3.4
87.04394	1.1
88.98698	2.2
89.02335	27.1
95.01275	2.8
96.95937	1.5
97.02865	1.8
97.63603	0.6
99.00756	4.3
101.02344	24.0
102.02664	0.7
109.02847	1.0
111.00770	2.4
113.02356	14.4
119.03402	2.4
125.02364	3.3
131.03430	9.5
143.03430	1.8
149.04495	4.7
151.00232	1.0
151.04004	1.3
152.01080	1.0
159.02956	1.3
161.02373	0.9
161.04480	6.4
179.05602	0.8
191.05635	3.4
233.06750	1.0
255.19734	0.9
267.02731	1.0
285.04077	2.2
293.08786	2.1
295.02536	1.7
296.03143	1.3
387.14691	3.0
399.23657	0.7
417.24985	22.2
418.25351	1.6
447.07513	3.9
476.32437	0.9
477.32602	2.0
543.23651	0.8
549.29260	100.0
550.29578	17.2
608.40784	1.0
609.12781	2.5
609.39630	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	609.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36104	0.3
58.36679	0.3
58.73131	0.3
59.01263	0.3
65.00227	0.4
71.35855	0.3
77.04182	0.3
88.12711	0.4
102.20969	0.3
107.01291	1.0
108.02057	1.7
109.02829	0.4
122.48565	0.3
127.44755	0.3
133.02856	2.5
135.04465	0.8
149.02324	0.8
151.00282	2.6
152.01106	3.6
163.03766	0.4
168.37788	0.4
175.03941	0.9
199.03983	1.4
210.19371	0.4
217.05063	1.0
241.05069	0.7
243.02859	0.3
255.03029	5.2
256.03748	1.7
271.02533	0.5
283.02484	1.9
284.03320	29.8
285.04089	100.0
286.04431	9.3
286.07428	0.7
300.02829	1.4
327.05106	1.3
429.10248	0.5
446.08661	0.6
447.09402	90.5
448.09741	12.2
518.85120	0.4
609.14734	14.7
610.15088	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	609.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	0.5
60.01582	0.1
63.02308	0.5
63.43636	0.1
64.99934	0.1
65.00229	0.5
69.50179	0.8
72.99207	0.1
75.00755	0.2
75.40239	0.1
83.01271	0.5
85.02819	0.2
89.02372	0.2
96.95928	0.3
105.03333	0.1
107.01290	1.2
108.02075	0.6
109.02869	0.3
118.61319	0.1
118.95621	0.1
121.02860	0.3
133.02855	2.3
134.03641	0.3
135.04428	0.4
141.80801	0.1
143.02161	0.1
149.02350	0.7
151.00311	2.3
152.01100	0.9
161.02380	0.2
175.03975	1.1
176.04407	0.1
177.01888	0.2
177.73024	0.1
185.06010	0.2
191.62375	0.1
197.06085	0.2
199.03940	1.2
200.04646	0.3
201.01921	0.2
205.12956	0.1
211.03986	0.4
212.04611	0.3
213.05527	0.2
215.03505	0.2
217.04976	0.7
227.03473	0.4
229.05150	0.2
239.03514	0.2
241.05077	0.6
243.02998	0.4
255.03020	1.1
256.03787	2.2
257.04517	0.3
269.04623	0.3
272.28830	0.1
281.04544	0.2
283.02582	0.8
283.05273	0.1
284.03314	42.6
285.04074	100.0
286.04437	7.3
297.04041	0.4
299.05508	0.3
327.05112	1.7
328.05545	0.2
375.14261	0.2
399.45963	0.2
429.10745	0.2
446.08850	0.2
447.09387	92.9
448.09760	10.0
489.10440	0.3
549.25598	0.5
606.12103	0.2
609.14679	6.8
610.14966	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	607.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03334	2.1
59.01263	75.7
61.98705	3.1
69.03327	1.1
71.01270	18.6
71.04910	0.8
71.55952	1.2
72.99197	1.6
73.02835	4.8
74.98509	0.6
75.00747	2.7
78.95781	1.0
83.01301	3.8
85.02827	7.5
87.00770	2.7
88.98674	0.9
89.02337	7.3
95.01276	1.6
96.95911	3.2
99.00768	2.4
101.02340	11.5
101.02934	1.2
107.01316	1.1
111.00799	0.8
111.08103	1.0
112.07051	0.7
113.02355	8.7
113.28781	0.6
118.32558	0.7
119.03385	1.7
125.02377	4.2
129.01849	0.9
139.00273	0.9
151.00299	2.9
151.11279	0.6
152.00941	0.6
157.12213	0.7
161.04546	1.9
165.12811	1.3
167.14395	0.7
179.05545	1.3
181.12201	1.5
191.10725	2.2
209.11794	17.6
210.12212	1.3
221.06790	1.1
225.05624	0.9
229.08781	0.8
235.08455	1.0
237.18588	7.3
241.08649	1.2
253.21745	1.6
255.06648	1.0
269.04593	2.6
381.09760	2.2
397.09146	1.4
397.13641	13.7
398.14359	0.7
413.12872	5.2
414.13235	1.1
415.14587	5.8
443.26633	2.1
461.27582	1.4
496.21194	1.1
503.28741	1.1
521.29553	1.8
545.29706	2.6
557.12958	1.1
563.30841	100.0
564.31274	15.4
576.43237	0.8
589.15607	1.4
607.24384	5.8
608.24829	0.9
608.39954	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	607.2984
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.5
59.01264	14.9
61.98714	9.1
62.51702	0.4
66.97752	0.4
71.01267	4.7
71.04916	0.4
71.57145	0.6
72.99197	5.5
73.02834	2.1
75.00761	100.0
76.01092	1.1
78.95802	4.6
80.96413	0.8
83.01276	0.8
83.04903	0.8
84.94695	0.4
85.02831	2.5
87.00770	0.4
88.98701	0.4
89.02353	2.5
95.01299	0.6
96.95908	0.8
96.96770	0.4
99.00773	0.9
99.14464	0.4
101.02347	3.8
108.31969	0.3
113.02342	2.4
115.00307	0.4
125.02348	0.8
141.12811	0.5
151.00337	0.4
152.99512	3.4
159.31313	0.4
161.02251	0.5
161.04466	0.6
165.12794	1.3
171.10278	0.4
191.03465	0.5
209.11755	2.0
213.93167	0.5
215.07144	0.9
239.20108	0.8
241.01152	1.2
247.20676	0.6
253.21765	0.6
269.04547	0.5
269.21320	0.8
285.03983	0.6
291.19827	2.2
317.07275	0.4
469.22150	0.4
487.23126	0.5
521.29565	1.8
563.30756	95.5
564.31030	15.8
607.24725	7.2
608.25018	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	607.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.6
59.01263	15.5
61.98721	4.1
62.64147	0.4
63.50212	0.4
63.58194	0.4
70.17083	2.0
71.01269	6.7
72.99194	5.5
73.02840	1.5
75.00762	99.5
76.01090	1.0
78.95797	2.3
80.96432	0.7
83.01269	1.2
83.04917	0.5
85.02844	2.8
85.59946	0.4
85.95514	0.4
87.00765	1.4
88.98704	0.7
89.02349	2.1
91.39279	0.4
96.95910	1.0
99.00803	0.9
101.02331	3.7
107.32738	0.5
108.02061	0.7
113.02357	2.4
119.03442	0.7
125.02399	0.5
138.41611	0.4
139.07637	0.4
152.01109	1.5
152.99501	1.0
161.02345	0.6
161.04555	1.3
162.14001	0.4
201.11212	0.8
207.10229	0.5
209.11829	4.8
234.94075	0.4
235.08086	0.6
239.20091	0.8
253.21869	0.4
264.73907	0.5
269.21274	0.5
303.32275	0.4
331.76392	0.6
343.55331	0.4
350.97760	0.4
385.25873	0.6
397.13754	3.2
503.32642	0.8
515.14185	0.5
521.29230	2.4
563.30829	100.0
564.31213	14.3
589.23981	0.6
607.23779	2.2
607.34558	1.4
608.34448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.0
57.03334	2.1
59.01263	75.7
61.98705	3.1
69.03327	1.1
71.01270	18.6
71.04910	0.8
71.55952	1.2
72.99197	1.6
73.02835	4.8
74.98509	0.6
75.00747	2.7
78.95781	1.0
83.01301	3.8
85.02827	7.5
87.00770	2.7
88.98674	0.9
89.02337	7.3
95.01276	1.6
96.95911	3.2
99.00768	2.4
101.02340	11.5
101.02934	1.2
107.01316	1.1
111.00799	0.8
111.08103	1.0
112.07051	0.7
113.02355	8.7
113.28781	0.6
118.32558	0.7
119.03385	1.7
125.02377	4.2
129.01849	0.9
139.00273	0.9
151.00299	2.9
151.11279	0.6
152.00941	0.6
157.12213	0.7
161.04546	1.9
165.12811	1.3
167.14395	0.7
179.05545	1.3
181.12201	1.5
191.10725	2.2
209.11794	17.6
210.12212	1.3
221.06790	1.1
225.05624	0.9
229.08781	0.8
235.08455	1.0
237.18588	7.3
241.08649	1.2
253.21745	1.6
255.06648	1.0
269.04593	2.6
381.09760	2.2
397.09146	1.4
397.13641	13.7
398.14359	0.7
413.12872	5.2
414.13235	1.1
415.14587	5.8
443.26633	2.1
461.27582	1.4
496.21194	1.1
503.28741	1.1
521.29553	1.8
545.29706	2.6
557.12958	1.1
563.30841	100.0
564.31274	15.4
576.43237	0.8
589.15607	1.4
607.24384	5.8
608.24829	0.9
608.39954	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	607.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55965	0.4
54.57928	0.4
55.01774	0.6
57.03335	0.5
57.67504	0.4
59.01263	16.9
60.01586	0.5
61.98704	3.4
66.95930	0.4
69.03343	0.5
70.79932	0.5
71.01267	6.9
72.99191	5.3
73.02845	2.0
75.00762	100.0
76.01106	1.1
78.95788	1.9
80.96409	0.8
83.01273	1.0
85.02846	3.0
87.00768	1.1
88.98692	0.5
89.02363	2.6
96.95892	0.6
97.02805	0.4
98.20560	1.4
99.00756	0.7
101.02341	4.3
113.02370	3.0
116.51716	0.5
119.03410	0.8
123.08108	0.5
125.02382	0.8
134.03807	0.4
143.03444	0.5
152.01086	0.8
152.99530	0.6
209.11818	6.6
229.76385	0.6
235.08260	0.9
239.20190	1.6
255.03110	0.8
269.21323	0.9
359.28134	0.5
381.09668	0.6
385.26065	0.7
397.13614	3.7
415.14862	0.8
521.30011	1.8
563.30817	94.2
564.31226	14.1
607.23749	1.0
607.32520	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	0.7
57.30724	0.5
59.01263	18.3
61.98717	8.7
67.72121	0.5
69.41573	4.5
71.01270	6.1
72.99192	5.1
73.02843	2.2
73.87137	0.4
75.00761	97.7
76.01081	1.2
78.11015	0.4
78.95794	1.9
83.01299	0.5
83.04921	0.5
85.02843	3.4
88.98685	0.6
89.02333	5.0
96.95905	1.0
99.00763	1.2
99.04344	0.4
101.02322	3.4
113.02355	3.2
125.02337	0.9
141.01607	1.7
141.12628	0.5
152.99521	0.8
161.02425	1.1
161.04439	0.9
171.10211	0.9
174.03131	1.2
197.11684	0.5
206.02225	0.8
209.11786	2.7
239.20195	1.0
269.04553	1.0
269.21161	0.6
279.65421	0.6
328.21472	0.6
352.13504	0.5
397.13565	0.6
469.22250	1.9
483.30350	0.5
487.32791	1.6
521.29303	2.3
522.30316	0.5
545.23602	1.3
552.99927	0.5
563.30817	100.0
564.23572	0.6
564.31177	14.9
568.11230	0.5
607.23810	0.6
607.31732	0.7
608.24396	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.1319
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
55.01757	0.8
57.03339	3.5
57.65186	0.6
59.01264	13.8
68.99687	1.5
71.01268	13.8
71.42374	0.8
72.99197	2.3
75.00768	6.0
83.01283	1.7
84.02054	0.7
85.02843	33.9
86.03174	0.8
87.00774	4.9
89.02337	3.2
95.01283	9.6
99.00782	9.3
103.00272	5.4
107.01296	1.0
111.00762	0.8
113.02356	67.5
114.02722	1.7
115.00302	2.3
117.01872	3.1
117.03418	1.8
129.01886	2.4
129.18951	0.6
138.40688	0.7
147.89859	0.7
149.02359	1.9
151.00320	3.5
157.01376	1.3
166.10800	0.6
175.02437	24.0
176.02826	1.1
196.05258	0.9
200.04729	0.6
209.11870	0.6
211.04100	0.7
225.05634	0.9
239.03529	1.7
240.04298	2.8
267.03052	0.7
268.03821	74.1
269.04581	100.0
270.04965	8.5
282.05368	1.9
283.06131	1.4
283.11478	0.7
288.22873	0.7
311.05692	3.6
355.99872	0.8
391.50845	0.7
427.06818	0.9
431.09903	49.5
432.10367	7.2
445.07877	8.1
446.08017	1.5
473.11273	0.7
515.33167	0.6
582.10931	0.7
607.13239	35.3
608.13574	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	607.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	0.2
57.03353	0.2
59.01263	1.3
63.02275	1.7
65.00189	0.8
68.99709	0.1
69.51689	0.4
69.52114	0.4
71.01268	5.4
72.01597	0.1
72.99200	0.9
73.02837	0.4
73.96531	0.1
75.00770	0.4
83.01273	1.2
84.80675	0.1
85.02846	2.2
87.00757	0.3
89.02338	0.6
93.03367	0.3
95.01281	1.0
98.20286	0.3
99.00771	0.7
101.02353	1.3
105.03378	0.3
105.90330	0.1
107.01297	1.7
112.28607	0.1
113.02357	2.7
114.02740	0.1
115.00284	1.2
117.03368	3.8
117.04204	0.2
117.93066	0.1
118.03733	0.2
119.03451	0.1
121.02869	0.1
125.02428	0.1
131.03392	0.2
133.01395	0.5
133.02878	0.2
135.00812	0.1
135.04457	0.3
139.00275	0.2
141.03452	0.1
149.02386	0.9
151.00307	1.1
154.20020	0.1
155.04970	0.2
159.04457	1.6
160.04759	0.1
161.02403	1.0
161.04503	0.4
169.06546	0.6
171.04533	0.2
175.02452	0.2
180.05777	0.3
181.06552	0.5
182.03802	0.1
183.04463	0.8
195.04498	0.1
196.05211	0.5
197.06131	0.6
199.04016	0.2
201.05595	0.7
209.11792	0.5
224.04773	0.4
225.05559	1.3
227.03465	0.5
240.04509	0.1
241.05119	0.1
249.06277	0.1
268.03830	1.2
269.04602	100.0
270.04941	9.4
270.07980	0.2
281.04672	0.4
283.06271	0.2
285.04175	0.8
311.05679	0.6
319.06717	0.6
337.07846	4.7
338.08130	0.3
356.69769	0.1
397.13702	0.2
399.07639	0.1
427.06769	0.4
473.11002	0.5
498.61331	0.1
545.13116	0.6
563.14142	0.1
607.13092	3.9
608.13080	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47607	0.2
59.01266	1.2
61.98716	100.0
62.98428	0.2
71.01270	0.8
71.47415	0.3
72.99203	0.2
75.00767	1.4
78.95810	0.6
85.02869	0.4
87.00783	0.2
89.02344	0.3
95.30288	0.2
96.95921	0.2
99.00790	0.4
101.02374	0.4
101.59626	0.1
109.80495	0.2
110.17633	0.2
111.08081	0.2
113.02370	0.4
133.02869	0.2
135.04442	0.3
137.02391	0.4
147.04515	0.3
148.05241	0.3
152.99556	0.3
161.02441	0.5
191.03384	0.3
209.11768	0.8
210.12192	0.2
216.23706	0.2
269.04626	0.2
371.15216	0.2
436.36511	0.2
607.25562	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48621	1.1
55.01765	1.6
57.03340	3.5
58.00478	2.2
59.01264	100.0
60.01586	1.9
60.99170	1.2
61.98718	19.5
69.03332	1.0
69.30824	1.9
69.31165	11.7
71.01268	39.9
71.73365	1.1
72.01568	1.6
72.99191	3.5
73.02827	8.6
75.00773	11.6
78.95800	6.2
80.96375	2.0
82.95284	1.3
83.01282	7.2
83.04934	2.3
85.02853	15.9
87.00761	4.8
87.04392	1.7
88.98714	2.2
89.02339	12.3
95.01283	4.4
96.95915	5.7
97.02831	2.2
97.06474	1.4
99.00753	5.2
99.04439	1.2
101.02344	24.6
101.06001	1.5
109.02969	1.2
111.00775	2.5
113.02355	19.2
115.03936	1.1
119.03421	5.9
124.67736	1.0
125.02352	4.1
125.09601	1.2
129.01782	1.3
135.04411	1.1
139.11151	1.9
141.09143	2.1
143.03415	4.7
151.11186	1.5
152.99579	2.3
153.72067	1.2
155.10666	1.4
157.12187	1.3
159.02895	1.4
161.04535	7.4
163.11266	1.5
171.10310	2.2
179.05536	2.5
187.13397	1.5
209.11775	3.2
251.16560	2.3
285.03662	1.1
301.11786	1.6
321.24524	2.6
339.25507	3.2
357.26663	9.8
381.09937	1.3
402.93823	1.3
402.99286	1.1
448.09088	2.2
453.28671	1.5
465.28479	2.7
467.20581	3.4
483.29694	3.8
488.72946	1.3
501.30807	85.7
502.31113	15.5
519.31830	27.5
520.32166	4.8
543.22644	1.4
545.29694	12.6
546.30280	2.9
561.25586	1.4
561.33057	12.7
562.32977	1.5
563.30743	8.0
605.25470	3.2
605.36151	7.5
606.33643	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	2.3
57.03338	4.3
59.01263	100.0
59.06399	2.0
61.98717	33.1
69.03337	2.1
70.01440	6.2
71.01267	50.0
71.04910	3.0
72.99185	4.8
73.02824	12.2
74.99673	1.7
75.00757	18.0
78.95795	11.7
83.01284	7.6
85.02840	20.6
87.00780	9.6
87.01240	1.9
88.98699	3.7
89.02345	17.2
93.78089	1.7
95.01302	2.4
95.04935	2.4
96.95905	8.5
97.02850	4.7
98.19837	2.5
99.00784	7.1
101.02345	23.6
113.02346	21.5
119.03400	5.4
125.02350	4.9
129.01955	2.0
141.09108	2.9
143.03450	2.6
143.12894	2.0
152.99525	4.5
161.04530	9.1
163.06081	2.7
171.10156	3.3
179.05592	3.5
194.62708	2.0
209.11803	7.7
247.29941	2.8
251.16661	5.8
255.02888	2.1
301.15054	2.2
319.13116	3.2
339.25269	2.1
357.26468	7.2
379.19098	2.2
448.09158	2.0
467.20853	5.2
472.94571	2.4
501.30807	79.5
502.31015	7.9
519.31720	25.2
520.31854	4.9
543.22614	2.3
545.29718	20.5
546.30078	2.5
561.33112	10.3
563.30719	10.0
587.24054	2.3
605.24976	7.2
605.36102	10.6
606.26471	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	604.2987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52634	0.3
51.72921	0.3
59.01265	0.9
61.98715	100.0
71.06191	0.3
71.56527	0.5
71.56888	0.3
75.00771	1.0
78.95805	0.5
81.72999	0.3
87.52883	0.4
98.75737	0.3
112.50751	0.3
123.04535	0.4
157.33316	0.4
186.16426	0.3
209.11813	0.8
215.60873	0.4
364.04736	0.4
604.43451	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26828	0.6
57.03212	0.8
57.03447	0.8
59.01085	13.9
59.01426	17.0
61.98532	5.4
61.98897	5.3
67.94702	0.6
69.36807	3.3
69.37238	3.3
71.01069	9.1
71.01520	6.5
72.99012	2.0
72.99437	1.3
73.02636	2.7
73.03079	1.9
75.00554	21.6
75.01041	13.2
76.00921	1.3
78.95586	2.5
78.96083	1.7
83.01069	1.7
85.02615	3.4
85.03176	1.1
87.00543	3.7
87.01128	1.5
88.98483	1.9
88.98988	1.3
89.02110	4.3
89.02703	1.5
95.01136	0.8
95.01643	0.8
96.95669	18.3
96.96371	6.5
96.96768	2.3
97.02654	1.0
97.06306	0.7
97.72895	0.7
99.00584	1.3
99.04228	1.0
101.02096	6.3
101.02825	2.1
113.02071	3.0
119.03237	1.2
125.02070	3.5
125.05774	0.7
136.07420	0.9
152.99268	1.1
158.11455	0.8
161.04272	0.9
163.05888	0.8
167.91264	0.7
175.58412	0.7
181.11871	0.8
185.11464	2.2
207.09879	1.0
209.11433	1.2
215.06828	1.0
229.08273	0.9
233.07915	2.7
255.02611	0.9
309.23950	2.9
327.25476	6.1
339.25455	7.7
357.26535	18.2
358.26492	1.3
369.26254	1.0
382.17032	1.2
383.10129	0.7
399.27548	1.2
423.21658	1.0
442.19534	1.9
448.08810	1.2
467.20062	0.8
485.21268	0.8
485.31677	1.1
489.31134	1.6
489.91623	0.8
499.21689	1.3
501.30927	10.7
502.30914	1.0
519.31873	18.9
520.32477	3.3
561.32916	100.0
562.33276	14.1
604.33246	3.2
605.25952	1.6
605.34265	36.1
606.35242	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	603.34
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	40.4
61.98734	2.9
70.70384	1.5
71.01277	0.8
75.00764	2.0
80.02572	0.9
81.03319	0.7
83.04917	3.5
114.39230	0.4
135.08101	0.6
163.11259	2.3
165.12753	1.5
171.10217	7.2
174.65082	0.5
191.10796	0.9
209.11816	100.0
210.12180	7.8
227.12851	10.9
247.13356	1.4
255.03125	0.5
265.14417	0.8
358.18958	0.5
449.25378	1.0
452.10886	0.6
475.26895	1.5
493.28293	1.5
511.29013	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.5
58.13762	0.3
59.01257	2.9
61.98721	2.7
69.03362	0.5
71.01276	3.1
71.38536	0.4
71.56630	0.6
72.99204	1.2
73.02838	0.6
75.00771	0.6
85.02853	1.5
87.00768	0.5
89.02346	0.9
91.08123	0.4
95.01280	0.9
96.95911	2.7
97.02843	0.5
99.00774	0.5
101.02340	1.2
108.02081	40.2
109.02898	7.2
113.02341	1.9
113.09631	3.0
120.31530	0.4
121.02891	1.3
123.00813	0.6
123.04454	0.6
125.02290	0.6
135.04424	0.8
137.02457	0.4
146.55336	0.4
152.01103	84.1
153.01758	4.7
157.72377	0.4
160.03987	1.1
161.02440	0.5
161.04425	0.4
163.03949	3.6
165.80901	0.4
173.11804	23.5
174.12161	1.2
175.03972	0.5
177.01886	1.0
177.05492	0.5
179.03455	1.0
191.03404	0.5
207.02925	0.7
297.06137	0.6
315.07321	0.9
429.10510	10.4
430.10797	0.8
447.11401	1.2
603.23090	100.0
604.23370	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	603.3035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	0.9
58.00489	1.6
59.01265	100.0
61.98718	4.9
69.03358	1.1
69.30326	1.7
69.30733	5.2
71.01271	39.0
72.99209	3.0
73.02834	18.8
73.03456	0.8
75.00773	2.4
78.95814	0.8
80.91616	0.7
82.95313	2.0
83.01283	6.7
83.02397	3.6
85.02833	9.2
85.03296	0.9
87.00787	2.0
89.02335	18.8
93.16938	0.7
95.01302	2.4
96.95936	3.0
99.00782	1.1
101.02348	23.7
101.03020	1.5
103.92010	0.7
110.02991	0.7
110.23487	0.6
113.02354	16.9
115.09494	0.9
119.03410	9.4
122.22381	0.7
125.02366	2.0
131.03424	1.7
132.74493	0.7
136.07669	0.8
141.01630	12.8
143.03459	2.7
149.04469	1.0
161.04494	3.8
179.05540	3.4
241.10004	1.1
255.03128	2.5
283.02676	1.8
285.04190	1.0
309.04184	1.0
381.09848	13.1
382.10263	2.1
446.08960	2.0
499.29797	0.9
517.30145	0.9
521.33356	1.5
543.28351	15.0
544.28735	2.8
559.31329	64.9
560.31726	9.1
561.29169	21.8
562.30066	3.0
603.30664	3.6
604.33734	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	603.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.5
59.01254	2.7
71.01265	2.9
71.49082	0.8
71.58889	1.2
71.59253	0.9
72.99207	1.0
73.02860	1.2
75.00816	1.0
83.04898	4.8
85.02843	3.1
95.01290	0.9
96.95914	2.9
99.00775	0.9
99.90716	0.8
100.66317	0.8
101.02358	1.1
108.02076	54.1
109.02924	8.8
109.06500	1.3
111.08065	25.3
113.02347	1.5
113.70865	0.7
116.86079	0.9
119.03403	1.1
125.02293	1.1
129.09120	1.3
134.03751	1.0
135.04393	1.0
152.01089	100.0
153.01816	5.6
161.04558	0.9
163.03923	3.9
173.08150	15.2
200.88237	0.9
284.03287	3.6
285.04138	6.0
315.07407	1.9
429.10349	9.1
447.09824	4.9
487.11133	0.9
551.39648	1.0
559.20331	1.6
603.19409	92.0
604.19830	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	602.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97378	0.3
55.01767	0.8
57.03336	1.1
58.00486	0.5
58.03342	0.3
59.01262	48.9
60.01604	0.4
61.89686	0.3
61.98721	1.2
62.11542	0.3
64.21600	0.3
69.40147	1.7
69.40559	0.6
71.01270	15.6
72.99213	1.4
73.02827	2.6
75.00766	1.8
78.95776	0.4
83.01256	2.0
83.04918	0.3
85.02843	4.8
87.00780	1.0
88.98705	0.3
89.02335	10.1
89.51559	0.3
95.01277	1.8
96.95905	1.9
98.20571	0.7
99.00790	1.2
101.02342	11.0
111.00787	0.3
113.02354	6.7
119.03423	3.2
125.02377	0.6
139.03954	0.5
143.03456	0.5
151.08832	0.3
158.11777	0.5
159.02951	0.4
161.04494	1.2
165.12819	1.3
169.12321	0.6
171.10176	0.3
172.10605	0.3
179.05559	0.9
183.13878	6.0
184.14314	0.3
185.11768	2.7
194.15517	0.5
195.85313	0.3
208.13466	0.9
209.11876	0.6
211.13280	0.4
217.36021	0.3
224.16576	0.5
226.14664	0.4
226.18083	1.3
228.16048	5.5
237.22244	2.0
248.06903	0.4
255.03030	2.3
283.02411	1.9
355.24960	0.3
366.49979	0.4
390.21436	2.2
432.22574	0.8
446.08652	4.0
450.23541	0.7
504.28378	0.6
517.30292	0.5
542.33435	0.4
559.31323	2.0
584.34521	3.1
585.34485	0.6
602.35583	100.0
603.35931	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	601.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49665	0.1
55.01744	0.1
59.01262	4.8
61.98711	1.1
71.01265	1.2
71.57792	0.3
73.02844	0.3
73.05634	0.1
75.00761	0.6
78.95790	0.8
79.95632	2.1
83.01255	0.2
85.02848	0.5
89.02352	0.6
96.95911	100.0
97.95851	0.2
99.00810	0.2
101.02329	1.0
113.02351	0.5
113.92518	0.3
114.93317	0.8
119.03381	0.2
125.02377	0.2
161.04532	0.3
171.10242	0.3
209.11896	0.2
399.24048	0.4
417.25006	0.4
437.18799	0.3
455.19531	0.3
459.25958	0.5
497.21002	0.6
557.30377	0.8
583.25970	0.2
601.35693	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99902	0.3
53.08174	0.3
53.58253	0.4
54.26743	0.3
55.01759	0.9
57.03338	1.2
58.00473	0.8
59.01259	50.8
60.01592	0.7
61.98717	1.0
65.85818	0.4
70.78331	0.7
71.01264	18.5
71.04913	0.4
72.01606	0.4
72.99200	2.1
73.02830	2.9
75.00758	1.3
78.95808	0.7
83.01285	1.5
85.02837	6.2
87.00778	1.0
88.50058	0.4
89.02328	11.7
91.00860	0.4
95.01283	1.6
95.04915	0.5
96.95934	0.8
97.02872	0.4
99.00805	1.1
101.02341	13.4
113.02357	7.2
115.07552	1.5
115.37071	0.3
119.03407	4.0
128.41890	0.4
129.01820	0.5
131.03442	0.6
139.03897	0.5
140.04295	0.4
141.01778	0.4
143.03391	0.7
146.06010	0.5
148.07587	0.6
156.10234	1.4
158.11807	3.6
159.02939	0.5
161.04510	1.5
163.11118	0.6
165.12793	1.5
172.03947	0.5
173.07153	0.9
174.07370	0.4
179.05554	1.0
183.13841	5.0
185.11786	1.9
194.15535	0.5
208.13405	0.6
209.11772	1.0
219.17554	0.7
226.18118	1.1
228.16034	3.3
237.22206	1.5
255.02850	0.4
255.23395	0.4
264.19818	0.4
283.02521	0.4
297.12497	0.7
298.12949	0.4
320.17178	1.2
341.11295	0.6
390.21414	1.3
444.60150	0.4
467.70233	0.4
504.28162	1.0
542.33600	0.7
559.31860	0.5
566.24646	0.8
584.26672	0.7
584.34546	3.0
602.27679	5.0
602.35535	100.0
603.35919	19.4
616.65570	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.3964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16040	3.9
59.01259	23.2
61.96115	4.3
61.98719	31.8
64.86143	3.9
71.57175	8.2
83.01286	5.6
83.04929	6.0
87.33040	4.1
97.06498	3.8
125.09619	8.9
128.28477	4.0
151.67250	4.0
163.11285	9.7
171.10211	70.4
172.10509	4.5
181.88918	4.2
207.10147	5.0
209.11818	100.0
209.13795	5.3
210.12096	5.6
223.13313	8.7
245.19104	10.4
253.09248	5.5
289.18155	32.1
291.19635	16.1
307.19180	31.5
446.44040	4.2
469.18924	4.0
557.89032	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	598.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03365	1.1
58.02858	13.4
58.03129	1.0
59.01268	5.7
61.98706	3.6
66.03390	2.5
68.04964	0.8
69.83972	0.8
71.01274	4.6
71.56646	1.1
72.97447	1.7
73.02861	1.3
74.00597	1.2
74.02360	24.2
75.00775	4.1
77.97363	0.7
81.04486	1.7
82.02889	3.4
84.04454	0.9
85.02837	1.4
85.03942	0.9
86.02368	9.2
86.06022	1.7
87.00774	0.9
87.05537	3.6
89.02338	1.8
90.30151	0.7
96.95920	2.2
97.03990	2.7
99.00788	2.1
99.05536	20.7
100.00298	1.6
101.02353	1.5
101.07088	3.6
101.73463	0.8
102.05516	4.2
107.06062	1.1
109.03979	4.9
109.07636	1.4
111.05562	2.0
112.03962	2.6
113.02367	2.4
113.04200	0.8
123.05578	2.2
124.03905	1.2
124.07604	0.8
125.03483	1.5
127.05075	4.3
128.03456	57.4
129.03813	1.0
135.05559	5.6
141.06660	2.8
143.04555	80.9
144.04913	2.9
145.06123	3.1
146.04538	8.3
148.05281	0.9
151.05063	1.0
153.06641	3.7
155.08217	0.7
165.12804	1.3
166.09802	4.0
167.04587	4.5
167.08202	4.4
169.06137	1.2
170.03255	1.5
171.03998	1.1
171.10226	10.4
179.04572	19.4
181.06172	1.5
184.10898	1.3
185.05701	1.7
191.03360	0.8
192.04214	0.9
192.07742	1.7
197.05615	3.0
197.11681	1.0
209.11783	11.4
210.08830	15.8
211.09163	1.5
211.13416	1.0
221.01421	0.7
223.13341	1.1
228.09930	2.1
238.03659	0.8
254.07863	45.1
255.08224	1.7
256.11450	2.3
272.08942	100.0
273.09192	5.7
284.03198	1.0
291.19785	2.3
325.18503	5.0
326.18738	1.0
445.20776	0.8
450.33771	0.8
469.23950	3.6
541.80121	0.9
580.26886	4.9
581.27216	1.3
598.28082	42.7
599.28497	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	597.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13621	0.7
55.01769	1.0
57.03333	2.4
57.78894	0.7
58.00477	1.3
59.01263	37.1
59.39816	0.7
61.98389	0.8
61.98714	15.5
66.86380	0.8
70.47823	2.3
71.01270	21.4
72.99188	2.4
73.02840	5.1
75.00761	3.1
83.01278	2.1
85.02834	7.5
87.00225	0.7
87.00748	1.7
89.02339	17.4
89.07839	0.9
93.03342	0.8
95.01274	1.7
96.95891	1.3
97.70365	0.8
99.00821	1.6
101.02340	16.7
113.02347	9.0
119.03436	6.5
131.03461	1.0
137.02362	1.8
137.09596	1.1
143.03418	1.4
146.37181	0.8
155.10701	1.8
161.04462	0.9
173.11771	1.6
179.05583	2.3
187.13309	1.2
201.14963	2.6
226.64964	0.9
230.15254	1.2
269.04605	2.0
375.27606	15.9
376.27554	1.3
537.32904	100.0
538.33240	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	597.3503
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02633	0.6
55.01761	0.8
58.00469	0.6
59.01264	17.9
60.44232	0.5
61.98716	22.7
64.13457	0.6
71.01270	9.1
71.55609	0.6
71.55997	0.9
72.99173	0.8
73.02827	2.6
75.00758	1.9
81.03349	11.8
83.01282	1.0
83.04914	36.5
84.05251	1.7
85.02834	3.9
89.02335	6.8
90.17699	0.6
96.95912	1.4
99.00802	1.0
100.07584	5.4
101.02352	6.2
113.02343	3.9
116.92736	1.2
119.03424	2.3
125.87085	0.6
126.05533	1.5
151.95462	0.6
153.09203	0.7
173.11679	0.7
179.05585	1.2
180.89047	0.5
182.15378	0.7
187.13326	0.6
199.13330	0.7
199.18144	7.4
213.73387	0.6
217.14427	2.4
225.16084	8.9
243.17177	18.0
244.17404	1.1
269.15161	0.7
281.22357	0.6
309.22003	1.2
353.20941	7.9
375.27426	4.5
451.33026	2.6
469.34091	15.9
470.34296	1.7
482.23425	0.6
519.32446	0.7
537.32922	34.8
538.33258	5.9
579.37994	2.6
597.38831	100.0
598.30255	1.1
598.39191	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	597.2778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51791	2.4
57.03349	2.5
57.50715	1.9
59.01262	37.9
61.98740	2.8
66.99997	2.2
69.77628	2.0
71.01260	36.6
71.34126	2.1
71.55087	3.0
73.02831	7.6
75.00781	2.2
85.02836	8.7
87.00732	2.7
89.02341	30.3
94.05347	2.1
95.01270	3.0
99.00782	4.4
101.02340	17.8
113.02364	7.8
119.03416	5.3
125.02390	2.3
130.66382	2.2
131.03423	5.6
141.09187	3.8
149.04514	7.1
150.03204	5.5
153.09143	3.0
161.04489	3.9
165.05527	8.5
195.06503	4.4
223.13611	2.3
225.14981	3.5
243.16035	24.3
405.21463	20.2
461.15115	2.8
537.25623	100.0
538.26251	15.0
597.18378	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	597.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42487	0.4
59.01263	55.6
60.01593	0.5
61.98712	0.5
71.01261	1.5
71.16166	1.1
71.16522	0.5
75.00756	1.1
85.02882	0.5
93.03330	1.0
96.95893	0.8
101.02328	1.0
109.99069	0.4
111.14722	0.4
117.61382	0.4
121.02889	4.6
122.03662	2.6
123.04410	0.6
133.02875	0.9
135.84271	0.4
144.54266	0.5
146.02551	0.6
146.03671	7.6
147.04379	0.9
149.02373	36.3
150.03168	26.6
151.03532	1.3
161.04823	0.6
161.06041	2.7
164.04726	15.0
165.05518	45.4
166.05830	1.7
179.05537	1.1
179.07094	16.8
180.04230	2.5
180.07414	0.9
181.04773	0.4
194.05887	0.6
195.06602	44.9
196.06955	1.9
268.07352	0.7
280.07474	1.0
281.08405	0.4
283.09857	1.7
297.07578	0.8
312.10086	21.9
313.10446	2.0
327.12424	100.0
328.12784	11.5
375.14560	37.2
376.14862	4.5
597.16260	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2904
Annotation	Neobonaspectin B
Peak:m/z	Relative Intensity
57.91825	0.4
59.01255	0.6
67.97988	0.4
69.56896	3.0
75.18443	0.4
78.95795	48.8
80.78326	0.4
96.95904	1.1
96.96235	0.6
96.96862	9.4
98.20530	0.7
100.26439	0.4
132.06206	0.4
150.97957	1.0
152.99527	78.7
153.99843	1.4
171.00560	2.5
209.11803	0.7
222.98088	0.3
223.00130	8.9
241.01216	19.0
242.01622	0.8
259.02255	1.1
279.23349	49.7
280.23718	5.9
311.22668	0.5
315.04929	12.8
316.04974	0.6
333.06006	1.2
563.51666	0.5
595.29034	100.0
596.29382	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	597.184
Annotation	Phloretin 3',5'-Di-C-glucoside
Peak:m/z	Relative Intensity
51.46320	0.4
53.76310	0.3
59.01266	4.1
61.98717	2.1
64.47526	0.4
65.03851	0.4
69.22528	4.3
71.01269	2.0
72.99200	0.7
73.02843	0.6
75.00776	0.9
81.03358	0.6
83.01279	0.4
83.04939	1.1
85.02843	0.9
87.00787	0.4
89.02348	1.3
91.15590	0.4
93.03362	1.2
96.95898	1.0
98.02696	0.4
100.07633	0.4
101.02347	1.0
107.04932	42.6
108.02107	0.5
108.05275	1.6
109.02844	0.9
113.02349	0.6
119.04913	0.4
119.28345	0.3
121.01967	0.7
121.02867	19.4
122.03656	27.2
123.03998	1.0
124.01586	2.9
135.03557	0.4
135.04437	2.1
136.01604	0.6
136.05188	0.6
137.02373	4.5
147.04494	0.7
150.03156	4.6
151.03900	1.8
152.01096	0.7
153.01863	0.7
154.02667	2.7
163.03967	0.5
164.03281	0.4
164.04692	0.6
165.01825	0.6
175.02548	0.5
175.04034	0.6
179.07150	0.7
182.02171	5.0
209.06029	1.8
209.11783	0.4
210.06967	0.8
211.07616	3.0
225.05539	0.6
225.09360	0.7
227.07095	1.9
228.07695	0.5
229.08705	95.4
230.08998	6.7
241.08730	1.6
243.17128	0.7
244.76427	0.4
253.08789	0.5
255.06613	4.0
257.08292	0.7
269.08313	0.6
271.06244	0.8
271.09842	1.5
272.07068	3.1
273.07736	44.1
274.08075	3.6
283.09662	0.6
297.07773	0.8
315.08807	2.7
316.08981	0.6
327.09155	0.5
349.18643	0.5
417.11627	0.5
435.13037	39.4
436.13269	5.6
477.14230	0.6
526.58386	0.5
537.33246	0.5
596.40857	2.3
597.18341	100.0
598.18646	13.5
598.28168	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34348	0.4
59.01256	1.3
61.37495	0.3
61.98723	0.5
71.01263	0.6
71.06248	0.9
77.96010	0.4
78.83340	0.4
78.95792	71.3
80.91563	1.4
85.46461	0.4
91.08028	0.3
95.69146	0.4
96.00833	0.3
96.96858	13.6
114.86273	0.4
120.97945	0.4
125.02380	0.4
150.97939	1.5
152.99521	97.4
153.99873	1.8
158.76717	0.4
171.00600	2.9
209.11749	1.9
223.00136	10.3
241.01196	27.1
242.01553	1.2
253.09291	0.6
259.02246	1.5
261.22284	0.5
262.32758	0.4
275.06268	0.9
277.21796	1.8
279.23340	67.0
280.23654	6.2
293.21274	0.6
311.22327	1.1
315.01266	0.7
315.04941	14.6
333.05917	1.4
359.22037	1.1
373.11877	0.4
391.19592	1.1
535.27765	0.7
577.39166	0.5
595.29004	100.0
596.29364	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	595.1316
Annotation	Tricetin 6-C-arabinoside-8-C-glucoside
Peak:m/z	Relative Intensity
56.86696	1.0
58.49695	1.1
59.01257	6.7
62.68506	1.3
70.30742	5.1
71.01276	4.7
75.00759	2.5
76.12418	1.2
83.01257	2.0
84.07989	1.1
85.02821	2.3
87.00779	2.1
89.02370	1.3
93.03362	2.7
96.95905	2.6
97.02864	1.1
101.02335	2.7
108.02078	13.1
109.02850	5.2
113.02370	2.7
117.03362	3.3
119.04919	3.7
121.02856	18.7
123.00813	2.1
123.04416	3.1
125.02354	3.5
133.02855	1.6
135.04408	3.1
136.92044	1.3
137.02324	2.8
139.03929	1.4
145.02849	1.4
147.04482	1.5
149.02345	3.6
150.03134	1.5
151.00369	1.6
151.03966	1.4
151.99921	2.3
152.01099	31.5
153.01683	2.5
159.04359	1.2
159.05739	1.1
161.02356	3.0
162.03195	10.7
163.00417	1.5
163.03926	3.5
165.01895	11.8
165.05499	2.5
167.03448	3.0
173.02422	1.4
175.00459	1.3
175.02313	1.3
175.03955	2.9
177.01926	5.7
177.05531	20.2
179.03452	4.3
180.04071	1.6
185.05855	1.1
190.02733	1.5
191.03453	5.0
193.01402	4.2
195.02951	1.2
203.03413	2.0
205.01404	1.8
207.02977	2.6
209.04489	5.4
217.01474	1.4
219.02899	2.6
221.04565	2.2
223.02437	1.4
231.06787	1.3
231.63930	1.1
235.02292	1.7
247.02408	2.3
258.04971	1.3
261.03979	1.6
265.03568	2.2
269.04553	2.2
271.06128	2.3
273.04071	1.5
283.06146	2.4
284.06351	1.3
285.04156	1.6
295.04892	1.7
296.06891	2.0
297.04056	2.8
297.07700	2.2
299.05649	1.4
311.05597	3.8
313.07150	3.3
314.04163	2.1
325.07217	2.0
327.05182	1.9
339.05179	5.2
341.06854	2.4
343.04538	2.1
351.05121	1.4
353.06775	11.6
355.04498	2.6
357.06122	1.8
369.06241	3.9
373.05521	1.4
381.06476	2.0
383.07690	3.7
385.05832	5.3
387.07312	1.8
397.05524	2.0
413.09024	1.5
415.06818	7.3
417.08328	1.3
429.10620	15.0
430.10571	2.5
431.10007	2.3
443.09857	7.3
445.07858	2.6
457.07898	2.4
459.09540	1.6
469.07394	1.3
473.11002	4.1
475.08466	14.6
476.09317	2.6
487.08920	2.9
501.10217	1.5
505.09848	10.1
535.11188	2.1
561.12250	5.2
562.13550	7.1
577.12170	2.0
595.13147	100.0
596.13342	15.1
616.25574	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78780	1.4
57.03336	2.5
58.00484	3.5
59.01263	100.0
60.01603	1.4
71.01270	51.6
72.99190	5.1
73.02844	3.1
75.00754	5.0
83.01271	2.3
85.02848	10.1
87.00764	4.3
89.02336	59.2
95.01292	2.6
96.95908	5.5
98.20190	2.4
99.00768	2.4
99.83826	1.5
101.02351	33.2
108.94789	1.6
113.02355	26.8
114.19334	1.7
115.00296	2.8
119.03425	33.4
123.19054	1.7
125.02387	1.7
131.03397	3.9
143.03435	6.2
149.04474	4.5
161.04480	7.5
163.06079	1.9
167.74385	1.7
179.05568	29.3
227.07059	1.9
250.78761	1.7
268.03836	6.5
269.04575	5.7
311.05777	2.1
407.76709	1.9
428.72116	2.0
431.09909	8.3
454.80292	2.2
533.26160	52.2
534.26807	9.3
593.15112	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	593.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88368	1.0
52.04143	0.9
59.01255	2.9
61.98711	1.8
67.01141	0.9
71.01263	3.1
71.57126	1.6
74.69637	1.0
75.42907	1.2
77.41622	1.1
78.95793	65.8
85.03174	1.0
96.96860	13.5
97.33871	1.3
113.02396	2.0
150.97879	1.2
152.99522	55.2
163.52342	1.0
171.10176	2.0
188.08133	1.0
197.11819	1.4
209.11821	8.0
223.00180	2.9
225.11320	1.2
233.95082	1.1
241.01236	27.9
242.01485	1.2
277.21786	48.5
277.24872	2.4
278.22101	5.6
284.03299	1.3
285.04016	1.1
309.20941	2.4
311.22375	1.2
315.04919	8.5
413.21085	5.5
593.27454	100.0
594.27838	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	593.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64661	1.4
57.03314	1.3
58.00460	3.3
59.01265	100.0
60.32410	1.3
60.43486	1.3
70.32936	5.1
71.01270	54.7
72.99210	7.2
73.02874	3.3
75.00767	4.8
75.01276	1.4
79.57206	1.3
83.01269	2.0
85.02830	10.9
85.33520	1.5
87.00771	5.4
89.02338	58.5
90.02679	1.7
95.01252	3.2
96.95907	4.8
99.00807	2.4
100.05833	1.4
101.02348	33.9
113.02363	23.0
119.03414	30.0
131.03424	3.9
143.03406	9.4
149.04456	2.0
161.04485	8.9
179.05580	26.9
227.07146	5.9
268.03802	5.1
269.04596	2.2
297.62866	1.5
431.10022	3.9
448.03583	1.4
533.26184	57.1
534.26398	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	593.2646
Annotation	Isochondrodendrine
Peak:m/z	Relative Intensity
59.01263	4.3
61.98717	4.7
64.93040	0.8
69.03338	0.7
71.01271	8.0
73.02827	1.2
77.12265	0.7
78.98486	4.6
79.95627	32.7
80.96411	49.8
84.62412	0.6
85.02840	2.3
87.00769	3.0
93.86533	0.6
94.97982	12.8
96.95901	2.0
97.02811	1.3
101.02344	2.7
106.98006	2.1
122.97495	6.0
125.02348	2.7
132.33163	0.6
134.97522	3.2
136.99065	2.0
137.91252	0.6
139.67886	0.7
148.99072	5.6
151.00308	1.2
152.98589	6.0
164.98569	9.8
179.00385	0.7
182.99667	1.6
206.99730	2.2
225.00755	18.5
227.45905	0.7
241.00148	0.8
242.21539	0.7
243.01785	1.7
287.21719	0.6
299.04349	3.6
371.06534	1.5
371.25815	2.5
385.08026	1.4
399.09842	1.3
413.11310	1.6
455.15878	2.2
495.19031	1.3
524.19446	0.8
575.08716	0.7
593.26477	100.0
594.26758	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	593.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97064	0.0
59.01260	0.5
65.00213	0.1
65.69991	0.0
70.85737	0.1
71.01266	0.3
73.02831	0.0
75.00770	0.1
77.25758	0.0
81.03351	0.1
83.01286	0.1
85.02840	0.1
88.70605	0.0
89.02326	0.0
89.71166	0.0
93.03373	0.2
96.95914	0.2
99.00819	0.1
101.02348	0.2
107.01246	0.1
107.04941	0.2
113.02384	0.1
115.05541	0.0
117.03401	0.2
119.03436	0.0
119.04935	0.6
121.02911	0.1
121.42639	0.0
123.04417	0.1
133.02806	0.1
141.07028	0.8
143.04959	4.8
144.05238	0.3
145.02866	0.4
151.00317	0.1
152.01018	0.1
157.06548	1.2
157.07846	0.1
158.06790	0.1
159.04446	0.1
159.08096	2.0
160.08444	0.1
163.03978	0.1
165.07059	0.1
167.04982	0.1
168.05791	0.1
175.03963	0.1
180.05785	0.0
181.06602	0.5
182.07300	0.6
183.04510	0.1
183.08127	2.5
184.05267	0.2
184.08485	0.2
185.06050	10.4
186.06396	0.6
188.75389	0.0
197.06023	0.1
199.04102	0.1
199.07640	0.1
209.06047	0.1
212.04797	0.2
223.07619	0.1
225.05637	0.5
226.06236	0.1
227.07144	100.0
228.07471	7.2
232.26244	0.1
239.07133	0.1
251.07161	0.6
252.07745	0.1
253.08864	0.1
254.98201	0.1
255.02937	0.1
269.04886	0.1
269.08310	0.2
281.08118	0.1
284.03207	0.4
285.04108	1.9
286.04398	0.1
371.11414	1.5
372.11685	0.2
389.12524	5.5
390.12869	0.6
431.13538	10.2
432.13892	1.2
593.15222	0.9
594.15808	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	591.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12469	0.9
54.89928	0.8
55.01760	1.2
57.03331	2.0
58.00505	1.0
59.01262	100.0
59.31330	0.9
60.01594	1.4
61.98714	11.8
71.01266	21.1
71.04913	1.2
71.57703	1.2
72.99215	2.1
73.02819	6.6
75.00745	7.1
78.95795	4.5
80.96402	1.5
83.01280	2.4
83.04937	1.2
85.02838	8.3
87.00779	2.6
89.02322	5.9
95.01300	1.9
96.95901	2.5
99.00784	3.4
101.02341	13.6
101.19726	0.9
112.40453	0.9
113.02371	10.2
119.03400	1.8
125.02374	1.3
127.17550	1.1
143.03394	1.5
145.84268	1.1
148.03987	1.8
149.13258	1.1
149.78044	1.0
152.99512	3.3
157.12279	3.7
159.02870	1.4
161.04510	8.2
171.10199	2.2
201.11188	1.1
209.11879	7.3
210.12172	1.2
218.08136	2.1
221.95366	1.1
227.12877	1.1
254.83511	1.1
283.11630	1.0
301.03235	1.1
325.27637	1.4
343.28589	6.4
367.16672	2.7
467.39334	1.2
487.32889	40.0
488.33435	5.6
505.34149	9.2
531.32086	10.9
532.31940	1.9
547.31647	1.4
591.34546	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3395
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.0
56.71105	0.8
57.03330	3.7
58.00471	1.0
59.01262	100.0
60.01592	0.8
61.98710	9.5
69.03331	1.1
70.07296	0.7
71.01267	21.2
71.01661	1.2
72.99184	2.3
73.02822	6.4
75.00773	5.4
78.95797	3.0
80.96375	1.3
81.03380	0.9
83.01275	3.3
85.02837	9.5
85.06481	1.2
87.00768	1.3
88.77976	0.8
89.02340	4.7
95.01276	2.7
96.95885	3.0
97.02834	1.3
99.00764	2.4
101.02341	11.2
113.02353	8.5
117.92254	0.8
119.03368	1.4
125.02351	2.7
129.01811	1.3
130.36694	0.9
141.95215	0.8
143.03543	2.1
143.10728	2.2
151.00298	1.2
152.99504	2.6
159.02922	1.0
161.04492	9.3
171.10196	1.3
201.11256	1.2
209.11823	3.4
237.22093	1.1
239.11894	1.3
281.21255	1.4
340.26456	1.1
343.28583	6.2
345.77133	0.9
385.71686	0.9
411.28839	0.9
415.10162	1.7
439.30820	0.9
475.29544	1.1
487.32877	42.0
488.33115	4.6
505.34283	7.9
506.34106	1.9
531.32294	1.3
547.31122	11.4
548.31067	1.7
591.34381	10.9
592.34558	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	591.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.2
57.03329	0.8
58.00502	0.7
59.01263	81.0
60.01611	0.6
61.23894	0.5
61.98716	9.0
64.16334	0.5
70.94454	0.9
70.94794	0.7
71.01266	15.4
71.04898	0.7
71.11752	0.5
72.99172	0.8
73.02839	5.4
75.00755	2.9
78.95798	1.8
80.96403	1.1
81.99525	0.6
83.01260	2.6
85.02836	6.5
87.00764	1.2
89.02335	2.8
95.01306	1.4
97.02816	1.3
99.00796	1.9
101.02337	9.3
110.64845	0.6
113.02344	5.8
119.03444	0.8
123.39353	0.5
124.01546	0.5
125.02332	1.5
127.11200	1.4
152.99512	0.6
161.04483	2.3
171.10252	0.9
187.90590	0.6
201.11263	0.7
209.11812	2.1
212.81421	0.5
237.22269	4.1
239.20155	3.5
249.16000	0.6
269.04608	0.8
281.21384	0.8
284.03131	0.5
291.19693	1.0
299.22076	0.7
427.26971	1.3
445.28265	1.5
473.12064	0.6
486.11786	0.6
487.29254	1.8
505.30511	2.0
529.29834	3.3
531.35760	0.9
547.31342	100.0
548.31714	17.3
591.25061	1.2
591.34082	1.2
592.25739	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	2.8
57.03330	3.6
58.00483	2.6
59.01266	63.5
60.94114	0.8
61.98718	7.6
69.03350	1.0
71.01271	56.8
72.01601	1.5
72.99195	5.0
73.02837	12.0
75.00762	9.0
75.79248	0.7
78.95788	2.7
81.03352	1.3
83.01264	7.1
85.02843	25.5
85.15443	0.8
86.03192	1.7
87.00779	7.0
88.98694	1.8
89.02340	37.9
95.01278	3.5
96.95897	5.6
97.02861	2.8
99.00774	8.3
100.01079	1.1
101.02345	35.5
102.02660	1.1
111.00806	4.5
113.02351	30.1
114.02701	3.7
115.00304	1.0
115.02796	1.9
115.03911	1.6
117.01889	1.1
119.03396	3.1
125.02338	3.5
129.01852	1.7
131.03421	17.1
143.03419	2.3
149.04495	17.8
152.99591	1.3
159.02982	1.3
161.04489	6.3
163.18240	1.0
170.36156	0.8
171.10281	5.1
175.02484	3.9
176.02805	1.2
191.05583	6.5
201.11279	4.9
233.06630	1.3
253.09259	1.1
255.03046	4.7
256.03357	5.1
257.03613	3.4
267.11359	0.9
283.02448	2.0
284.02942	1.6
285.03564	1.9
293.08865	1.5
296.64078	1.0
381.09927	2.8
382.10281	3.1
383.10440	6.3
399.23959	24.7
400.24380	4.5
411.23709	1.1
413.12531	2.0
414.12836	3.6
415.13226	9.1
416.13214	1.1
531.28217	100.0
532.28644	17.2
591.34631	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	591.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.8
57.03335	0.8
59.01261	82.3
60.01583	0.8
61.59595	0.4
61.98715	17.0
69.40047	0.6
69.40396	4.1
71.01266	12.6
71.04924	0.5
72.99192	0.6
73.02827	5.0
73.47847	0.4
75.00774	1.2
76.96120	0.4
78.95803	0.6
83.01268	2.3
85.02840	5.9
87.00782	1.4
89.02325	3.0
95.01302	1.3
97.02864	0.4
99.00780	1.7
101.02331	8.0
113.02339	5.6
119.03453	0.7
130.34499	0.4
141.12798	1.4
159.02899	0.8
161.04463	2.2
171.10185	0.5
179.61687	0.4
188.10695	0.4
209.11850	0.8
237.22189	2.5
238.22760	0.5
239.20140	5.6
240.20610	0.7
299.88605	0.4
320.25842	0.5
427.26895	1.3
445.28058	1.4
446.27948	0.5
487.28656	0.8
487.33868	0.9
505.30508	1.8
506.30621	0.8
529.30377	3.8
530.30383	0.8
531.32141	1.6
547.31317	100.0
548.31641	18.9
548.40131	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08968	0.3
55.01756	0.6
57.03337	1.0
58.00483	0.4
59.01261	83.7
60.01602	0.9
61.98711	3.3
63.06722	0.3
71.01266	12.6
72.99197	0.8
73.02830	5.1
73.39747	0.3
75.00764	1.6
78.95797	0.5
83.01266	2.1
85.02841	6.1
87.00765	0.9
89.02325	2.0
95.01295	0.9
96.95901	0.6
97.02850	0.5
98.07938	0.3
98.19792	0.8
98.84218	0.3
99.00780	1.5
101.02338	9.2
101.03003	0.4
111.08059	0.3
113.02350	6.4
113.03069	0.4
114.02706	0.4
119.03423	0.7
125.02383	0.6
141.12764	1.0
143.03525	0.3
159.02972	0.4
161.04456	2.1
220.79387	0.4
221.19118	0.5
235.46057	0.3
237.22253	3.5
239.20184	6.1
240.20627	0.5
427.27130	1.1
432.73938	0.3
445.27957	1.4
446.28799	0.4
469.28732	0.3
487.28622	1.8
505.30331	2.0
529.30420	4.2
530.30664	0.7
536.30402	0.4
547.31329	100.0
548.31671	17.0
591.33380	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01761	0.8
57.03335	2.1
58.00475	1.0
59.01265	43.5
59.07058	0.2
60.01613	0.4
60.50076	0.2
61.98727	0.6
65.43825	0.3
67.34164	0.3
67.79430	0.3
69.03333	0.3
70.31972	1.0
71.01270	17.9
71.04920	0.7
72.99183	2.3
73.01316	0.2
73.02829	3.1
75.00761	2.8
78.95850	0.3
83.01291	2.0
83.04929	0.5
85.02842	4.8
87.00781	1.1
89.02341	12.1
95.01292	1.2
96.08111	0.5
96.95911	3.5
97.06473	0.4
99.00790	1.3
101.02343	13.2
111.08012	0.4
113.02363	7.7
113.06024	0.8
119.03419	4.8
124.63343	0.2
125.02362	0.5
129.01807	0.4
135.89793	0.3
137.09669	1.0
137.68651	0.3
139.07556	0.5
143.03453	0.7
143.10703	0.6
151.00349	0.4
155.10721	9.0
156.11108	0.4
157.08646	3.5
159.02953	0.9
161.04488	1.3
174.11302	1.0
179.05566	1.5
180.10295	0.7
182.11855	0.6
185.11929	0.4
191.03416	0.2
196.13287	0.7
198.11194	0.5
198.14977	1.0
199.09795	0.7
200.12897	6.6
201.13301	0.4
210.14948	0.6
214.14326	0.6
225.18594	0.5
251.16685	0.4
253.14482	1.0
269.04660	1.4
270.04901	0.9
281.17709	0.5
284.03314	1.3
285.04129	4.5
313.16641	0.4
336.16714	0.3
362.18341	2.0
385.18881	0.4
390.25974	0.5
404.19470	0.5
410.25665	0.4
422.20508	2.4
428.26633	0.5
438.18179	0.3
447.09299	1.4
476.25241	0.6
489.10486	2.1
529.13269	0.4
546.26361	0.9
547.27075	0.8
572.30774	2.2
590.31964	100.0
591.32275	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	590.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.6
57.03342	1.7
58.00488	1.2
59.01264	57.2
60.01603	0.7
60.44318	0.3
66.91113	0.3
69.40760	2.5
69.41181	0.7
69.73655	0.3
71.01270	19.9
71.04914	0.5
72.99198	2.0
73.02841	3.3
75.00757	3.4
77.96590	0.3
83.01267	1.8
85.02843	7.2
86.02380	0.4
87.00793	1.6
89.02337	15.6
90.02660	0.4
95.01298	1.3
96.95944	1.8
97.02837	0.4
98.19833	0.6
99.00773	1.4
101.02344	16.0
107.01287	0.4
111.00780	0.6
111.08074	0.7
113.02356	8.9
113.06014	0.4
114.02728	0.4
119.03426	5.9
125.09635	0.3
129.01884	0.3
131.03444	0.4
137.09668	0.9
139.07617	0.5
143.03461	0.6
155.10713	7.5
157.08638	3.3
159.02994	0.7
161.04536	1.5
176.98465	0.3
179.05586	1.4
180.10280	1.0
182.11839	0.6
196.13382	0.7
198.11395	0.7
198.14969	2.0
200.12897	8.4
209.15402	0.5
210.15034	1.3
225.18674	0.6
230.99911	0.3
241.52696	0.3
251.16776	0.4
253.14445	0.7
269.01929	0.6
269.04611	4.6
270.05048	1.0
285.04160	0.6
299.66418	0.3
313.16690	0.4
362.18286	1.8
363.18564	0.3
397.09436	0.7
404.19330	1.1
422.20062	0.9
439.39285	0.4
445.07797	0.4
476.25284	0.4
512.28589	0.4
547.28009	1.5
572.31055	2.4
590.31952	100.0
591.32288	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	590.3194
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72208	0.2
55.01755	0.4
57.03331	0.3
58.00475	0.4
58.90265	0.2
59.00957	0.4
59.01262	7.2
61.98728	0.6
64.64618	0.3
70.36131	0.6
70.36494	0.5
71.01266	4.7
72.99197	4.3
73.02859	1.3
75.00763	100.0
76.01102	1.3
76.10091	0.3
80.10586	0.2
83.01266	0.5
85.02843	1.7
87.00061	0.2
87.00722	0.4
89.02352	3.8
92.69132	0.3
95.01274	0.4
96.95921	0.3
99.00753	0.4
101.02347	4.2
113.02364	2.1
115.07527	0.6
119.03437	1.3
156.10242	0.5
158.11824	1.9
161.04494	0.6
171.10246	0.8
269.13809	0.3
282.60632	0.4
300.28021	0.3
346.48206	0.3
492.24557	0.5
531.24652	0.6
545.16602	0.3
590.31958	93.9
591.32275	18.7
591.79803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01747	0.3
57.03340	0.6
58.00485	0.4
59.01264	8.8
61.11147	0.4
61.98716	1.8
69.45786	3.6
71.01275	5.0
72.99195	5.4
73.02836	1.6
75.00761	100.0
76.01111	1.1
76.27991	0.3
76.35532	0.4
83.01280	0.4
85.02837	2.6
87.00739	0.4
89.02325	3.4
95.01295	0.8
96.95925	0.6
99.00800	0.8
101.02354	4.1
110.62796	0.3
113.02358	3.4
115.07600	0.5
119.03411	1.3
136.42244	0.3
153.20505	0.4
156.10307	0.6
158.11809	1.4
161.04556	0.5
161.24902	0.3
171.10228	2.6
171.69209	0.4
171.80438	0.4
181.12209	0.4
201.11307	0.5
216.75957	0.4
225.18636	0.5
255.02864	0.4
256.03391	0.9
269.14087	0.4
284.02878	0.5
291.89423	0.4
366.09161	0.4
375.28067	0.5
382.10193	0.9
414.12866	1.1
418.69742	0.5
447.59592	0.5
531.28278	0.7
590.31946	96.8
591.32306	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	590.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58617	0.2
55.01762	0.3
58.00485	0.3
58.09139	0.2
59.01265	7.5
61.98706	0.4
69.31181	1.2
69.31606	0.9
71.01270	4.8
72.99197	4.9
73.02816	1.4
73.79552	0.2
74.50977	0.3
75.00761	94.6
76.01085	1.1
78.95776	0.3
83.01279	0.7
85.02841	2.5
89.02339	3.9
94.79657	0.2
95.01285	0.6
96.95891	0.5
99.00775	0.5
101.02343	4.0
102.02689	0.2
113.02349	2.3
115.07573	0.5
119.03400	1.2
156.10252	0.9
158.11786	2.4
159.02785	0.3
161.04517	0.4
171.10207	0.8
215.09232	0.5
269.13919	0.6
457.74103	0.2
492.24658	0.4
501.54312	0.3
510.62921	0.3
547.27594	0.4
590.31940	100.0
591.32251	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	590.283
Annotation	Unknow
Peak:m/z	Relative Intensity
58.40584	0.2
59.01254	2.0
61.78559	0.3
61.98714	100.0
68.99677	0.2
69.28786	2.0
69.29200	0.4
71.01270	0.8
75.00735	1.1
78.95801	0.3
80.96415	0.5
96.95901	0.4
99.00777	1.2
100.01173	0.3
101.02338	0.4
121.02872	0.3
132.02068	0.3
133.02849	0.4
135.04456	0.7
147.04510	0.5
148.05232	2.3
149.05591	0.9
161.02367	1.0
177.01965	0.2
183.00082	0.2
191.03484	0.5
192.04172	0.4
209.11821	0.4
211.13358	0.3
293.21323	0.5
294.21848	0.3
308.50836	0.2
470.22812	0.9
484.66733	0.2
591.25305	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52214	2.2
54.02903	2.4
54.32702	2.2
59.01256	27.8
61.98713	100.0
68.27849	2.4
68.99722	2.5
70.80114	5.9
71.01263	14.8
72.99176	3.4
75.00764	30.4
78.95808	5.2
80.09902	2.1
81.03337	2.6
83.01257	2.9
87.07080	2.4
89.02347	6.3
99.00777	29.9
101.02356	6.6
103.05428	2.5
105.03309	3.1
109.02866	4.8
113.02341	7.3
119.04971	3.1
121.02843	4.5
125.02335	3.5
127.69848	2.1
132.02097	3.7
133.02834	14.6
134.03706	6.4
135.04449	20.0
147.04424	15.0
148.05223	60.8
150.03140	2.9
160.01633	6.3
161.02396	31.2
163.03964	7.6
170.30215	2.8
171.10249	16.1
174.03236	2.6
191.03517	17.1
192.04321	14.0
193.04900	3.0
195.13850	3.9
197.11835	3.0
204.87581	2.5
209.11893	6.4
210.87845	2.5
216.82817	2.6
223.13547	2.5
227.03552	3.1
236.03204	5.7
237.04039	14.7
253.09337	28.6
275.20279	12.6
291.19644	4.6
293.21295	55.4
294.21515	5.3
301.14606	2.8
309.20786	6.4
352.28448	2.5
371.15170	4.9
407.22690	2.9
425.23218	4.5
443.23892	2.8
447.13602	2.9
451.21173	6.1
469.22195	16.6
487.23727	2.6
545.24329	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.4
57.03336	5.1
58.00483	0.6
59.01266	21.6
61.98707	2.2
65.00212	0.7
67.01801	1.0
68.99689	0.9
71.01271	20.7
72.99203	4.9
73.02835	1.9
75.00764	12.7
78.95784	0.9
83.01289	1.5
84.02062	0.9
85.02843	42.8
86.03165	0.8
87.00776	7.4
89.02335	4.4
95.01283	13.3
96.95908	3.6
96.96886	0.6
99.00779	15.4
99.12606	0.4
101.02363	1.4
103.00273	6.8
106.60222	0.4
111.00790	1.4
113.02357	100.0
114.02747	2.2
115.00276	4.0
117.01866	5.2
129.01846	3.6
130.26567	0.5
137.02303	0.4
139.00296	0.9
144.10805	0.5
157.01367	2.0
175.02444	27.8
176.02773	0.7
201.36679	0.5
222.32465	0.5
227.03415	0.6
255.03029	76.4
256.03445	6.0
268.03815	0.6
283.02530	27.3
284.03217	5.1
285.03879	1.0
316.50070	0.6
381.09872	59.8
382.10202	7.7
413.12515	78.1
414.12881	9.4
485.31448	0.6
529.26477	0.4
542.99030	0.5
557.13330	1.2
589.15900	5.5
589.24402	0.9
589.33936	0.8
590.32141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.3402
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00940	0.7
50.24675	0.6
53.64991	0.6
57.03346	1.2
58.00456	1.1
59.01266	23.6
61.98718	16.2
66.18065	0.7
69.03321	0.7
70.43469	2.4
71.01274	15.1
71.04902	1.0
72.99198	1.8
73.02828	3.9
75.00772	5.7
78.95795	17.6
81.03335	0.8
83.01276	2.0
83.04895	1.1
85.02851	6.1
87.00765	1.1
89.02332	7.1
95.01278	1.2
96.95895	2.8
96.96857	1.4
97.02831	1.0
97.06517	1.7
99.00800	1.7
101.02343	10.7
106.58550	0.7
109.02879	0.7
109.06503	3.3
113.02361	5.1
115.07542	1.5
115.98450	0.9
119.03427	2.8
121.97981	0.8
122.06075	0.8
127.11203	0.7
135.08058	0.9
151.11223	3.1
152.99524	11.3
156.10289	2.2
158.11792	5.2
161.02364	0.9
161.04498	0.9
163.11224	1.8
165.12715	1.1
167.10713	1.3
169.12289	14.2
171.10210	4.2
172.10524	1.2
181.12321	1.0
185.06133	1.1
197.11826	1.3
197.81540	1.0
201.11320	0.9
207.10222	3.7
209.11830	13.4
213.11301	1.6
223.17126	1.1
223.20676	1.1
225.11409	2.8
227.12845	1.2
255.39214	0.8
264.19690	0.9
267.16104	2.6
267.19482	1.0
310.20367	2.2
327.12085	0.8
361.10513	3.1
363.12234	3.7
367.16315	0.8
381.13382	1.4
403.23566	1.2
425.23599	1.0
436.21957	2.2
468.21158	1.5
469.22391	3.3
487.23322	1.4
490.26678	2.1
545.23358	1.2
588.34027	100.0
589.24316	9.0
589.34314	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	588.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75771	0.8
55.01747	0.8
57.03336	2.6
58.41058	0.8
59.01263	24.7
61.98716	20.6
63.05090	0.9
65.25559	0.7
70.46384	1.8
70.46780	1.7
71.01266	15.1
71.04899	1.4
72.99200	2.2
73.02837	3.0
75.00769	6.5
78.95796	19.7
81.03365	1.2
83.01257	2.2
83.04911	2.1
85.02850	6.4
87.00803	0.9
89.02328	8.1
95.01270	1.9
96.95903	4.3
96.96880	1.6
97.02898	0.8
97.06481	2.7
99.00786	0.9
101.02341	10.4
109.06480	3.1
113.02342	5.4
113.25353	0.8
115.07539	2.0
119.03410	2.4
125.09653	0.9
135.04445	1.6
151.11232	3.0
152.99544	11.4
156.10243	2.3
158.11844	4.7
161.02155	0.9
161.04482	1.2
163.11298	1.5
169.12279	14.2
171.10242	3.5
177.10860	1.0
185.11807	1.0
197.11801	1.1
201.11201	1.0
207.10277	4.4
209.11806	16.8
213.11307	2.8
221.15359	1.1
223.17148	1.3
225.11372	3.8
227.12939	1.4
264.19638	1.1
267.16071	1.6
283.13361	1.5
310.20355	2.2
343.32745	0.9
361.10645	4.4
363.12433	3.9
436.21738	1.8
449.86053	0.9
468.21207	2.0
469.22324	4.0
485.31451	1.9
487.23428	1.6
490.26645	2.4
588.34027	100.0
589.24481	10.3
589.34296	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	587.3084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	76.7
61.98717	48.2
70.53588	11.9
71.01263	41.4
72.99201	3.5
75.00764	57.8
78.01463	3.1
78.95774	6.3
97.06478	7.9
125.09639	5.8
152.99506	3.8
161.02396	5.4
163.11249	6.3
171.10199	30.2
174.03107	4.3
185.06067	3.8
186.06906	4.4
187.07610	4.6
189.05576	4.6
197.11819	5.1
201.05545	4.4
201.09274	8.0
201.11256	16.0
203.07008	3.7
209.11794	100.0
214.06279	6.5
215.07147	12.9
225.11427	17.4
227.12888	10.0
229.08694	7.6
232.07422	31.8
233.07976	8.2
241.08528	4.0
255.06494	4.3
315.16071	4.2
326.15277	3.9
329.13809	17.9
330.14410	4.5
343.15546	3.5
370.14401	5.0
402.17310	4.2
441.23804	3.9
491.26822	4.9
509.27634	4.0
543.31946	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	587.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72226	0.4
59.01264	16.1
60.01606	0.5
60.05883	0.4
61.98718	4.5
69.46206	2.3
69.46632	2.0
71.01273	6.4
72.99190	1.0
73.02832	0.9
73.20860	0.5
75.00761	8.5
78.95774	1.2
83.01284	0.7
85.02840	1.7
87.00714	0.6
89.02354	3.9
96.95873	0.8
97.06479	1.6
98.20534	0.9
99.00758	0.7
101.02341	5.7
113.02343	2.6
119.03384	1.0
119.66450	0.4
125.02458	0.7
125.05956	0.6
131.03442	0.5
148.08931	0.6
150.10480	0.6
159.04451	0.6
161.04494	1.6
163.06131	3.4
163.11246	0.9
165.12798	12.2
166.13132	0.9
171.10205	5.1
175.03970	0.5
175.11255	0.6
177.12869	0.6
186.06854	0.7
186.61281	0.5
187.07550	0.9
191.14372	0.7
197.11786	4.7
201.09193	1.5
201.11130	0.5
203.07231	0.6
205.07094	0.9
209.11780	1.3
213.23070	0.6
214.06421	0.7
215.07135	1.3
232.07439	2.6
233.08136	0.7
239.10693	0.5
247.20717	7.4
253.09315	18.2
254.09729	0.7
273.18707	3.6
274.18805	0.6
283.13254	0.6
291.19727	100.0
292.20068	11.2
329.13980	1.9
357.85211	0.5
423.59064	0.6
467.20871	1.2
527.28601	0.8
543.31525	1.7
587.34045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23083	0.6
55.57199	0.5
59.01263	19.0
61.98716	8.0
62.67991	0.5
66.11230	0.5
69.63627	1.8
69.64050	2.4
71.01265	7.3
71.87463	0.5
73.02836	1.2
73.47604	0.6
75.00763	9.7
78.95796	5.3
85.02839	2.0
87.00787	0.7
89.02334	4.5
96.95927	1.0
97.06493	3.9
99.00787	0.8
101.02351	4.8
109.06480	1.8
113.02368	2.5
117.65845	0.6
119.03434	1.0
125.05995	0.8
125.09624	1.0
151.07494	1.1
152.99518	2.6
159.04414	1.0
161.02408	1.5
161.04471	1.5
163.11212	1.6
164.44073	0.6
165.12794	12.6
169.08623	0.8
171.10190	3.9
172.05231	2.4
174.03072	0.9
175.03928	1.2
185.06064	1.0
186.06801	2.2
187.07613	1.6
189.05499	1.4
191.14526	0.7
197.11772	2.7
199.04036	1.0
200.04832	1.0
200.08340	0.9
201.05547	0.8
201.09148	3.8
201.11238	1.8
203.07149	1.0
207.10352	2.9
209.11752	3.0
214.06297	1.6
215.07074	4.3
225.11388	1.9
227.03629	1.0
227.07109	0.9
227.12956	0.7
229.08659	1.9
231.10298	1.0
232.07393	4.7
233.07950	0.9
244.11078	0.9
247.20706	6.3
253.09320	18.4
254.09665	1.7
255.06670	2.2
256.07343	2.0
267.03455	0.7
273.18701	3.4
287.12863	0.9
291.19714	100.0
292.20041	11.3
315.16263	1.0
329.13986	2.8
358.17914	0.7
361.10699	1.9
370.14471	0.9
402.16962	1.4
425.19812	1.3
441.77560	0.7
449.19879	0.7
465.24643	0.7
467.20825	1.9
478.02704	0.7
527.28595	0.7
543.22278	1.3
587.22253	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.14009	0.8
59.01266	14.9
61.98716	80.5
67.67230	0.7
71.01268	4.7
71.02394	5.7
71.57690	1.3
72.00797	2.7
72.99197	1.0
73.02838	1.4
74.02364	5.9
75.00771	4.1
78.95788	3.5
82.01616	6.3
82.06520	2.0
83.02388	1.3
85.02835	2.5
89.02341	3.9
93.03344	3.3
96.95889	2.8
96.96875	1.4
98.01120	1.4
101.02338	2.3
108.02119	1.1
111.01920	1.6
112.02666	1.5
112.07578	2.8
113.02334	2.9
114.09210	1.0
116.04953	3.9
118.06551	7.0
119.03409	1.2
119.04955	8.8
126.09194	1.1
129.10263	28.9
129.11240	1.7
130.08647	1.3
131.03561	1.5
131.04996	0.8
131.06061	0.9
133.05296	0.9
134.06042	2.8
136.07555	1.6
139.08687	3.3
140.07071	3.5
141.10187	1.4
143.11789	2.3
144.04454	2.4
146.02466	0.9
146.06027	3.4
148.07574	1.0
155.08205	50.1
155.11821	9.1
156.08511	1.2
157.05252	0.9
158.02397	1.3
161.04547	1.0
161.07144	2.5
162.05544	1.4
163.03963	9.9
164.07098	1.4
165.05525	1.0
167.08165	0.8
169.09756	3.5
171.05602	1.1
172.06380	4.1
173.07156	10.4
173.96262	0.8
174.05548	1.4
179.08273	1.0
180.06627	31.5
181.06941	1.1
187.05101	4.0
187.10867	4.5
189.06665	1.2
195.08095	2.7
200.03476	1.6
200.05846	2.3
202.04951	1.3
213.13965	3.2
215.09470	1.3
219.89003	0.8
221.09763	9.0
236.10794	2.9
237.09219	1.9
238.12437	1.0
243.09026	0.8
247.14497	2.2
248.10872	1.1
249.16011	4.0
257.12955	2.6
259.14603	1.9
263.11859	1.8
266.11868	1.3
268.14670	2.8
274.15637	2.4
275.11743	1.5
275.14288	1.0
284.29434	0.8
285.04007	0.9
286.13324	2.6
291.11328	1.8
293.15192	10.5
306.17920	0.9
319.13303	1.7
330.17014	2.5
334.18216	1.4
343.18057	1.3
351.20963	5.5
352.20935	1.1
360.20862	3.5
377.18759	5.6
379.20215	2.7
386.18942	5.8
387.17300	1.6
395.19852	19.8
396.20090	2.2
404.19855	15.4
405.23477	4.1
421.17770	46.1
422.18146	4.4
423.19388	8.6
429.18118	1.3
455.15958	1.8
465.21277	1.6
493.20660	1.3
505.26352	1.3
541.28339	14.4
542.27100	6.1
557.27637	6.5
567.26105	1.6
585.27197	100.0
586.27631	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	585.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07658	0.5
52.86814	0.4
57.03312	0.6
59.01006	0.6
59.01265	9.1
61.98717	31.8
62.94858	0.4
66.03356	0.6
71.01286	3.0
71.02390	16.5
71.57621	0.6
72.00803	2.6
72.02699	0.6
73.02801	1.0
73.03960	1.5
74.02364	4.7
74.79974	0.6
75.00745	1.8
78.95826	0.6
82.01608	2.1
82.06499	1.6
83.02419	0.6
85.02844	1.0
85.03951	3.6
89.02345	1.6
91.05432	2.2
93.03355	2.2
96.95894	2.1
97.00325	3.2
97.03990	3.0
97.04491	0.5
98.01116	5.2
99.01907	0.7
101.02341	1.8
107.04955	0.8
111.00759	0.6
111.01915	4.8
112.02672	1.5
112.07581	0.9
113.02378	1.1
116.04954	2.9
117.06982	0.5
118.06513	2.3
119.03466	0.7
119.04951	7.6
127.08701	1.2
129.10265	6.9
130.08687	1.2
131.03571	0.9
132.04475	0.5
133.02820	0.5
133.05273	1.1
134.06044	2.8
134.81535	0.5
135.04416	0.5
139.07657	0.9
139.08699	11.7
144.04439	2.2
146.06053	10.8
147.03194	2.1
147.04378	1.1
151.00305	0.5
157.05273	1.1
158.02443	0.8
158.06056	0.8
160.04008	1.3
160.07591	3.0
161.02377	0.6
161.04518	0.5
161.07104	0.9
162.05551	1.9
163.03961	6.0
163.08665	3.7
164.07097	0.8
172.03976	0.8
172.06343	0.6
172.07654	1.3
173.07137	2.1
174.05528	1.5
175.08749	0.9
180.06625	24.5
181.06967	1.5
182.09338	3.9
184.23761	0.5
186.05605	1.0
187.05072	2.4
187.08762	0.5
188.05745	0.9
189.06664	29.8
189.10295	2.3
190.06999	1.3
191.08214	4.1
195.08115	3.9
198.08113	0.7
200.03458	0.7
200.05818	1.1
202.05103	1.1
203.08206	1.6
209.09622	1.4
218.06886	1.0
219.08064	0.7
221.09650	14.5
222.09882	0.9
225.14134	0.6
229.06122	1.1
229.13486	3.3
231.15030	1.6
234.09201	0.7
236.10765	4.7
237.09140	1.4
238.08693	3.1
238.12433	1.1
241.13478	3.6
242.16626	1.8
244.07867	0.5
246.09262	1.0
247.12401	3.3
248.10799	0.9
249.07965	0.6
252.53104	0.6
255.06685	0.8
256.14548	1.6
257.12894	4.1
258.16324	0.7
260.11047	0.7
262.08853	0.7
263.09604	1.0
264.10339	1.4
265.08649	0.8
266.11887	9.4
267.12177	0.7
270.09280	0.7
273.10046	0.6
274.15771	1.1
276.06683	0.5
276.10367	1.7
279.11548	0.7
282.11539	1.3
283.14645	0.7
290.12552	0.6
292.09787	1.2
293.13025	4.2
308.14114	0.7
309.12457	1.2
310.10870	1.0
313.16592	1.5
320.11578	2.9
327.13571	9.3
328.13882	0.8
330.14655	1.5
350.15662	1.5
353.11368	0.8
360.20828	3.5
361.19223	1.1
362.29953	0.7
364.15543	1.0
368.16833	2.5
378.21555	0.7
381.09821	0.8
385.19223	4.8
386.18951	2.9
387.18091	0.7
388.20767	0.5
393.16098	0.9
404.19870	21.2
405.19086	0.9
405.23108	2.3
411.17175	6.8
412.17294	0.8
421.22516	2.0
429.18237	39.4
430.18692	4.9
449.21893	0.9
455.16177	36.8
456.16019	4.6
457.17871	6.3
458.18085	1.2
465.21426	1.9
479.23166	0.6
493.21280	1.2
498.27786	1.1
505.26175	0.9
524.35358	3.1
525.35577	3.5
541.28302	20.7
542.28003	4.3
543.27527	0.6
557.27747	8.3
558.28546	1.0
567.26129	1.4
568.25195	0.8
585.27277	100.0
586.27588	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81634	0.5
59.01262	3.5
61.98719	3.8
66.03361	0.6
71.01269	1.9
71.02397	7.4
71.59072	1.2
72.00797	4.2
73.02840	0.6
74.02357	2.1
82.01598	2.7
82.06524	2.3
88.98682	0.8
89.02343	1.3
91.05417	1.0
93.03355	5.1
95.02406	0.9
96.95914	3.9
97.00355	1.1
97.46700	0.5
98.01120	1.9
99.01909	0.8
101.02377	0.7
103.03915	1.3
106.04153	1.7
107.04950	1.4
110.74738	0.5
111.01926	3.3
112.02662	0.8
112.07571	1.5
116.04952	4.0
117.03389	1.5
118.06549	4.0
118.32549	0.7
119.04945	11.4
121.02876	1.0
127.08680	2.5
129.10257	10.9
130.08673	2.2
131.03709	0.8
133.05292	2.9
134.06059	11.3
135.04405	0.7
136.07602	2.4
137.02345	1.2
139.08705	21.3
140.09027	0.9
142.72981	0.7
144.04480	0.7
145.02893	3.7
146.06052	12.7
147.06293	0.6
148.07603	0.8
150.03137	0.8
158.06091	1.0
160.07640	1.7
162.05560	2.3
163.03961	9.7
163.08676	1.3
164.07162	1.7
165.05534	0.9
172.06335	1.6
173.07146	4.7
174.05530	2.7
176.08293	0.9
180.06627	32.0
181.06979	1.5
182.09326	5.2
183.05595	1.1
185.07207	1.4
186.05536	0.7
186.12488	0.8
187.05093	4.6
189.06665	14.0
190.07091	0.8
191.08226	7.1
195.08179	1.3
198.06668	0.7
199.07458	0.8
200.05931	1.0
201.11292	0.7
203.08215	1.0
218.05026	0.6
218.06886	2.9
221.09596	2.0
222.09233	1.5
229.13458	3.6
231.15027	3.0
241.08681	0.6
241.13475	1.7
242.16621	2.8
246.11627	0.9
247.12437	3.7
255.06639	1.0
256.14551	3.0
257.12915	4.5
264.10339	3.4
266.11923	15.2
267.12122	2.0
270.09012	0.9
274.15726	1.2
276.10394	1.2
277.15564	0.8
283.14658	1.9
291.11539	1.0
292.09897	0.8
295.13406	1.0
309.12610	3.0
310.11130	0.8
320.11496	0.6
327.13544	13.1
328.13892	1.1
353.11667	1.1
360.20905	5.7
361.19232	0.9
368.16663	0.9
375.12198	0.7
386.18820	5.2
387.18311	1.0
387.23944	2.2
404.19864	24.3
405.20135	3.8
411.17325	1.9
455.16190	5.0
456.16769	0.9
498.27792	1.9
541.28418	1.1
542.26611	4.3
585.27332	100.0
586.27655	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	584.2412
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18470	1.4
52.41682	1.5
55.62938	1.4
59.01256	2.8
60.99116	1.5
61.98724	8.1
63.76186	1.8
69.19034	1.7
71.02390	3.3
72.00787	4.3
74.02365	2.8
74.33363	1.4
82.01627	4.2
93.03355	7.5
95.02399	8.9
97.00345	1.8
98.01119	3.0
101.05986	4.0
107.04929	2.7
111.01925	6.1
116.04945	11.2
117.03313	1.6
118.06537	12.3
119.04954	18.8
128.07065	9.7
129.05482	10.7
133.05231	4.8
134.06061	14.9
136.07607	1.8
137.07130	4.3
138.07939	10.0
144.04422	1.6
145.02934	2.5
146.06033	6.9
158.06041	2.8
160.07660	3.1
162.05554	14.5
163.03967	17.6
171.05527	11.9
172.06354	4.8
173.07191	8.0
180.06616	100.0
181.06950	4.9
185.07246	2.8
187.05063	15.1
189.06667	31.1
190.06831	2.5
191.08279	2.7
200.05872	3.1
206.04576	2.1
227.11888	1.8
229.13481	41.9
230.11807	5.1
230.13811	2.8
232.13408	6.1
239.06966	2.5
241.13354	3.8
247.08063	2.9
247.12460	5.3
247.44676	1.6
248.12981	4.1
255.11435	8.0
256.11493	2.1
257.12991	4.7
264.10333	5.6
266.11920	8.0
276.12601	2.9
291.11374	2.6
292.09781	4.1
309.12531	10.3
310.10910	12.0
316.10870	3.0
318.12534	4.1
325.12082	2.7
327.13562	6.7
330.12524	8.3
332.14468	2.8
341.16940	3.0
353.11349	10.9
358.12265	10.0
359.13049	3.1
359.17664	24.3
360.17798	2.3
385.15622	15.0
386.16119	2.0
403.16656	3.5
409.10123	1.8
438.18484	3.7
455.16107	3.4
482.17422	7.3
499.17673	6.3
500.18243	19.5
505.89917	1.7
522.24078	11.9
523.24164	1.8
540.25122	20.9
541.25726	3.7
558.24976	1.9
566.23041	29.9
567.23456	7.4
584.23907	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	583.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	3.0
59.01266	43.2
61.98717	100.0
64.46984	0.9
66.13144	1.1
70.65555	0.9
71.01274	30.5
71.56954	1.5
72.99205	3.4
73.02836	8.0
75.00764	6.5
83.01275	3.1
85.02847	13.8
87.00794	2.5
88.98699	1.7
89.02336	13.8
95.01282	2.3
96.95902	4.9
99.00786	3.4
101.02346	18.9
113.02364	11.2
118.35732	1.0
119.03417	4.8
121.02851	1.2
125.02328	1.2
131.03458	1.0
133.02870	1.7
135.04419	1.0
136.01515	1.6
148.05183	2.0
159.02959	1.3
159.26584	1.1
161.04527	2.7
165.05548	1.7
177.99095	1.2
209.11903	2.2
287.24176	1.4
303.62271	1.0
311.60056	1.1
359.28107	1.6
361.29706	11.2
480.88257	1.2
523.34979	90.1
524.35358	13.4
583.29816	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	584.2409
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36256	0.6
56.75043	0.7
59.01270	1.2
61.98721	0.9
70.38015	1.5
70.38371	1.9
71.01276	1.3
71.02394	8.9
72.00798	4.0
72.42313	0.6
74.02398	3.0
82.01593	3.3
82.06573	0.7
83.04936	0.7
84.00828	0.8
85.04004	0.8
91.05487	1.3
93.03365	4.0
95.02438	2.9
97.00327	5.8
97.03991	5.4
98.01115	13.2
98.01653	1.0
99.01966	1.6
101.06052	2.0
107.04989	1.0
110.01174	1.4
110.47771	0.7
111.01920	9.0
111.65200	0.7
112.02725	2.5
116.04988	8.9
117.03460	0.9
118.02916	0.7
118.06551	5.8
119.04934	10.1
121.02887	1.5
128.05064	0.7
128.07095	7.2
129.05522	5.2
131.03741	1.1
132.04474	1.1
133.05257	1.7
134.06055	6.4
137.07205	1.2
138.05522	0.7
138.07886	3.7
144.04498	4.9
146.02420	1.8
146.06049	10.9
147.03192	5.4
148.07698	1.3
157.05310	2.7
158.02504	1.2
158.06090	2.7
159.04430	0.9
160.04034	2.3
160.07571	3.3
161.02341	1.4
161.07190	0.9
162.05565	6.6
163.03937	8.9
163.08780	2.9
164.07314	0.8
171.05655	3.2
172.04062	4.8
172.06366	2.1
172.07698	3.5
173.04823	1.3
173.07112	5.0
174.05559	1.4
180.06622	50.6
181.07011	2.6
185.07130	1.3
186.05626	2.3
187.05077	8.0
189.06660	64.4
189.10191	3.9
190.07043	3.6
191.08397	1.5
195.08167	6.7
199.05180	1.2
200.03589	2.3
200.05826	1.7
201.04338	1.4
201.06607	1.4
202.05138	1.6
203.08414	1.8
203.10838	1.8
204.06865	0.9
209.09758	2.0
209.11758	1.3
219.08078	1.4
221.09708	17.2
222.10007	1.0
223.07623	0.8
229.06186	4.0
229.13455	17.2
229.15515	1.2
230.11894	2.5
232.13506	2.7
233.08408	1.1
234.09233	1.0
236.10803	8.8
237.09247	1.9
237.11340	1.1
238.08810	4.9
238.12369	0.9
239.07069	2.1
240.07904	0.8
241.13478	2.7
246.09334	1.6
247.12437	2.3
248.10753	1.7
248.12975	1.6
249.07808	1.0
250.08740	1.0
255.11452	4.5
257.12939	5.0
259.10095	1.0
260.10892	1.2
262.08868	2.2
263.09369	1.1
264.10236	4.5
265.08676	1.2
266.11942	3.5
274.10883	0.9
275.11911	1.7
276.07080	0.9
276.10300	4.9
276.12869	1.0
279.11615	1.5
282.11530	2.5
286.11166	0.8
291.11545	2.3
292.09622	3.6
299.12762	1.5
302.10532	1.5
305.09058	1.4
308.14096	1.9
309.12610	3.0
310.10876	4.5
316.11401	0.8
320.11661	7.2
324.13947	0.9
325.11890	0.9
327.13626	2.7
329.11447	4.2
330.12488	4.6
332.16602	0.9
350.15482	2.4
353.11420	8.3
358.11755	4.4
359.17725	13.5
360.18164	1.5
361.18619	0.9
364.13263	1.0
368.16644	7.2
375.17307	1.1
376.15640	2.2
383.17822	0.9
385.15604	4.7
393.16211	1.0
403.16641	1.2
411.17249	19.0
412.17407	2.6
429.18280	2.7
438.18246	1.4
449.19589	1.3
455.16202	100.0
456.16312	12.9
464.15762	0.8
482.17206	4.5
496.26096	1.9
499.17734	5.0
500.18130	9.7
501.18918	1.7
502.72052	0.7
522.23962	6.0
540.25134	44.3
541.25482	8.9
556.24731	0.9
566.23096	28.4
567.23370	7.7
584.24084	37.4
585.24420	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	582.3142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.1
58.95881	0.1
59.01264	1.1
61.98716	100.0
62.98399	0.1
69.46052	0.2
69.46456	0.5
71.01276	0.5
72.99199	0.1
73.02829	0.2
75.00759	0.5
78.95851	0.1
85.02844	0.3
87.00772	0.1
87.77756	0.1
89.02353	0.3
96.95934	0.2
98.19833	0.2
99.00773	0.2
101.02380	0.3
107.65763	0.1
109.02900	0.1
113.02357	0.4
115.02819	0.1
119.05123	0.1
130.55782	0.1
133.02812	0.1
148.05287	0.1
151.00352	0.1
161.02528	0.1
181.78384	0.1
191.03392	0.1
255.03078	0.1
301.03839	0.1
390.48123	0.1
429.54410	0.1
431.26871	0.1
512.74579	0.1
522.33582	0.4
523.34473	0.1
549.23468	0.1
553.76367	0.1
582.31335	0.1
583.10870	0.1
583.30414	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73445	0.5
59.01262	23.9
62.43492	0.6
78.95789	21.9
80.96410	0.8
88.87332	0.5
96.92755	0.6
131.29791	0.6
152.99536	3.1
163.35722	0.6
168.04262	3.9
191.94928	0.6
224.06924	8.7
242.08052	2.1
283.26468	100.0
284.26807	10.8
330.89548	0.6
508.34171	69.0
509.34479	11.5
572.54535	0.6
582.30255	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	582.3145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.48493	0.1
56.63908	0.1
56.95412	0.1
59.01263	1.0
61.98717	100.0
62.98418	0.1
71.01274	0.6
71.05441	0.2
71.87948	0.1
73.02827	0.1
75.00780	0.3
83.01267	0.2
85.02840	0.3
87.00777	0.2
89.02338	0.2
96.95935	0.1
99.00798	0.1
101.02377	0.2
113.02348	0.3
119.94573	0.1
148.05273	0.1
151.00388	0.1
166.97006	0.1
170.21797	0.1
334.31766	0.1
381.80948	0.1
427.25864	0.1
449.27725	0.1
497.83798	0.1
508.08524	0.1
522.33569	0.3
523.35168	0.1
583.28217	0.1
593.36273	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	581.2256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01592	0.9
69.44314	1.0
69.44727	2.3
71.01263	2.3
72.99191	0.4
75.00748	0.6
96.95937	0.5
101.02358	0.5
105.60110	0.4
113.02373	0.8
115.00268	3.1
116.92754	0.6
121.02897	1.3
133.01355	6.1
135.97789	0.4
147.04459	0.7
151.00323	0.4
175.02496	0.5
206.83524	0.4
254.98366	1.3
255.10397	1.1
269.08215	8.1
269.11078	0.4
270.08795	0.6
271.09860	0.5
272.56400	0.3
281.08344	1.2
283.09814	2.7
284.03397	0.7
285.04175	1.7
286.04434	0.5
299.09357	6.0
300.09897	0.6
310.12512	0.5
311.09351	7.7
311.12927	0.6
312.09747	1.0
314.11697	10.9
315.12155	1.2
325.10953	1.5
326.11655	7.3
327.12079	0.9
329.14017	40.7
330.14395	4.6
341.14008	25.0
342.14328	2.5
347.66614	0.4
359.15308	1.0
389.16144	1.9
447.09647	2.0
448.09869	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.3034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	2.8
57.03344	3.3
58.00478	3.4
59.01263	56.4
60.01587	0.6
61.98721	2.6
66.45092	0.4
70.47968	1.8
71.01266	55.5
72.01589	0.5
72.99207	4.0
73.02834	10.8
75.00746	1.2
82.13909	0.4
83.01278	7.1
85.02837	19.4
85.03362	1.0
87.00797	2.7
89.02337	32.5
95.01268	4.1
96.95909	0.5
97.02835	1.3
99.00764	4.7
101.02342	31.4
109.02894	0.5
111.00802	1.1
113.02353	20.1
114.02723	0.6
115.22849	0.5
116.92804	0.8
119.03417	13.1
125.02325	1.4
129.01837	1.3
131.03412	1.7
133.29541	0.4
143.03436	3.1
149.04468	1.0
159.02972	2.1
161.04503	9.9
163.06029	0.5
179.05536	6.0
191.05594	0.5
211.03961	1.5
231.08563	0.4
248.76550	0.5
261.32245	0.4
296.93259	0.4
373.22372	7.1
374.22742	0.7
387.20074	0.7
417.15900	1.1
417.25012	22.1
418.25186	2.3
505.81290	0.6
519.28204	20.9
520.28522	2.9
532.93475	0.5
563.74701	0.5
574.38989	0.5
579.30316	100.0
580.30634	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	579.34
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33294	1.8
55.01451	1.8
55.01749	2.5
57.03331	4.2
58.00466	2.3
59.01266	88.3
59.49165	1.7
61.98707	7.7
66.66110	1.5
69.03385	1.5
69.56441	1.9
71.00898	3.3
71.01268	42.8
72.99180	6.3
73.02834	6.8
75.00742	6.2
81.30138	1.6
83.01283	4.8
85.02840	14.0
87.00769	3.1
89.02338	39.7
95.01267	2.7
97.52831	1.6
98.19774	4.0
101.02343	32.3
113.02356	22.0
119.03424	22.4
125.02373	2.8
131.03416	3.2
136.02621	1.6
143.03380	4.9
149.04547	2.6
157.12210	1.9
159.27309	1.9
161.04506	9.0
171.13786	2.8
179.05554	17.2
187.54930	1.8
207.13921	1.7
236.42268	1.8
357.26511	29.4
358.26895	3.0
381.09778	3.9
475.27191	2.7
493.28076	3.4
519.31848	100.0
520.32062	13.0
535.29346	7.4
579.34308	10.2
580.35156	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2953
Annotation	Halitulin
Peak:m/z	Relative Intensity
54.15939	16.0
55.30912	15.2
59.01266	100.0
59.10315	13.4
61.98705	75.4
63.46502	15.1
65.07278	18.1
66.89910	13.5
70.14671	28.2
70.15047	29.3
71.01254	31.3
75.00762	54.5
78.95790	60.5
96.95911	23.4
96.96909	21.3
101.02293	20.2
114.33602	16.8
152.99405	15.1
209.11777	48.0
225.11243	28.0
329.97559	17.4
579.29443	43.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.5
55.21687	1.2
57.03350	2.1
58.00470	4.0
59.01265	83.7
60.01591	1.3
69.03316	2.2
70.85423	3.3
71.01270	85.3
72.99178	5.2
73.02838	14.1
75.00751	3.3
83.01267	7.5
85.02840	24.8
87.00768	5.1
89.02339	100.0
95.01264	4.4
96.95942	5.6
97.02827	1.5
99.00777	5.4
101.02341	54.0
102.02686	1.5
104.78040	1.3
113.02356	27.5
114.02663	1.1
116.92838	1.2
119.03406	17.2
123.00758	2.3
125.02361	5.5
131.03432	21.7
131.07033	1.4
132.03712	1.4
135.04353	1.4
143.03421	3.1
149.02548	1.6
149.04497	43.7
152.01096	3.2
152.41608	1.0
159.02980	2.5
161.04518	15.5
165.05319	1.1
175.02367	1.7
179.05568	12.8
187.97604	1.2
191.05594	8.7
207.13908	1.5
225.14946	4.4
227.07114	6.2
251.07748	1.4
269.04648	5.2
285.16422	1.1
293.08804	2.8
311.09879	2.0
387.20340	42.3
388.20807	4.3
389.12485	1.7
417.16003	2.2
469.39484	1.1
519.24585	99.0
520.24860	18.6
579.13788	2.5
579.23145	4.9
593.18622	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	579.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	2.5
55.21687	1.2
57.03350	2.1
58.00470	4.0
59.01265	83.7
60.01591	1.3
69.03316	2.2
70.85423	3.3
71.01270	85.3
72.99178	5.2
73.02838	14.1
75.00751	3.3
83.01267	7.5
85.02840	24.8
87.00768	5.1
89.02339	100.0
95.01264	4.4
96.95942	5.6
97.02827	1.5
99.00777	5.4
101.02341	54.0
102.02686	1.5
104.78040	1.3
113.02356	27.5
114.02663	1.1
116.92838	1.2
119.03406	17.2
123.00758	2.3
125.02361	5.5
131.03432	21.7
131.07033	1.4
132.03712	1.4
135.04353	1.4
143.03421	3.1
149.02548	1.6
149.04497	43.7
152.01096	3.2
152.41608	1.0
159.02980	2.5
161.04518	15.5
165.05319	1.1
175.02367	1.7
179.05568	12.8
187.97604	1.2
191.05594	8.7
207.13908	1.5
225.14946	4.4
227.07114	6.2
251.07748	1.4
269.04648	5.2
285.16422	1.1
293.08804	2.8
311.09879	2.0
387.20340	42.3
388.20807	4.3
389.12485	1.7
417.16003	2.2
469.39484	1.1
519.24585	99.0
520.24860	18.6
579.13788	2.5
579.23145	4.9
593.18622	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	579.21
Annotation	Acanthoside B
Peak:m/z	Relative Intensity
53.52807	0.3
59.01263	5.1
61.98712	1.1
69.03339	0.3
69.34794	3.2
71.01273	2.4
73.02837	0.5
75.00765	1.7
77.66152	0.3
81.03352	0.3
85.02854	1.3
89.02318	0.7
95.01285	0.6
96.95884	0.7
99.00716	0.3
101.02350	1.3
102.98504	1.4
109.02857	2.3
111.00745	0.4
113.02371	1.3
118.35733	0.3
123.00793	1.9
124.77057	0.3
125.02370	1.1
133.02870	0.4
133.05739	0.3
135.04440	0.3
137.02373	9.3
138.03154	0.4
139.00230	0.5
139.03946	0.6
147.04535	0.4
149.02397	1.1
150.03197	0.5
151.00304	16.4
151.03969	1.2
152.01024	1.0
152.04718	1.9
153.01794	0.5
154.02689	0.4
160.05217	0.4
161.02385	0.8
161.04584	0.6
162.03157	0.6
163.04030	0.7
165.01892	0.7
166.02663	54.3
167.03270	3.7
175.03922	1.0
177.01886	2.8
179.03368	0.7
179.07121	0.4
181.05023	70.5
182.05363	3.3
184.03621	0.8
187.03886	0.4
190.06363	1.0
191.03479	0.9
192.04276	0.9
193.05048	1.1
195.02994	0.5
203.07112	0.4
205.04964	0.7
205.08794	0.7
207.02982	0.9
207.06619	1.2
209.04573	0.8
219.06607	0.6
224.37541	0.3
269.04446	0.7
329.10532	0.4
343.21341	0.4
357.10059	0.4
359.11362	1.7
371.15152	0.4
387.10901	15.0
388.10999	1.5
402.13293	7.1
403.13727	0.9
417.15628	100.0
418.15955	12.4
459.31827	0.4
561.27563	0.6
579.16693	0.7
579.29749	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	578.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	24.7
60.36810	0.3
61.98705	0.6
70.72255	0.9
78.95795	23.3
96.96865	0.4
107.11874	0.3
122.98463	0.6
129.64787	0.3
152.99519	3.7
168.04245	3.6
180.17113	0.3
189.76642	0.3
209.11780	0.8
210.12155	0.7
220.71310	0.3
224.06940	9.7
225.07224	0.4
242.08008	2.1
247.58058	0.5
259.22107	0.4
261.22156	0.7
272.26501	0.4
279.23340	100.0
280.23682	9.4
301.96469	0.3
353.94156	0.3
364.58606	0.3
504.31058	78.4
505.31366	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	579.1367
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
59.01255	3.5
68.99686	0.8
69.24629	9.1
71.01274	4.8
72.99160	1.6
73.02847	0.8
74.85658	0.8
75.00755	2.3
79.01775	1.9
83.01241	1.3
85.02832	1.9
89.02338	3.3
91.01778	0.9
93.03358	2.4
96.95912	8.1
101.02342	1.8
109.02846	2.8
111.00792	1.3
117.03371	4.9
118.74182	0.8
119.04857	1.1
121.02834	0.9
123.00804	0.9
123.04462	1.1
131.75171	0.9
133.02881	3.7
135.04436	1.5
137.02345	2.3
147.04422	1.1
149.02368	2.9
149.04472	1.3
151.00302	3.3
151.03920	1.8
160.40353	0.8
160.57500	0.8
161.02367	3.2
163.00298	2.6
163.03906	1.8
165.01849	3.1
167.03508	1.0
171.04434	0.9
175.03961	3.2
177.01898	4.4
177.05563	0.8
179.03450	3.2
180.00647	1.4
189.01920	1.4
191.03447	2.9
193.01448	1.5
195.03015	1.5
197.06073	1.0
203.03482	0.9
205.01401	2.4
206.02007	1.2
207.03006	5.6
207.04770	1.4
219.03078	4.1
220.03694	1.7
221.04561	1.1
225.05669	0.9
235.02451	1.5
241.05016	2.0
242.05803	1.0
249.04170	3.9
253.05122	2.5
255.06604	1.8
257.04645	1.0
267.06592	1.0
269.04568	2.7
270.05362	1.1
279.05255	1.4
281.04538	6.9
283.02841	1.0
283.06110	2.8
284.03146	1.8
285.04181	4.0
295.06268	1.9
297.03833	4.5
297.07016	1.2
298.04855	23.9
299.05548	6.1
311.05737	2.3
312.06311	2.8
313.03574	14.8
313.07205	3.9
314.04022	1.7
323.05392	1.7
325.03564	2.1
325.07254	1.4
326.04425	7.6
327.04916	11.2
328.05264	1.4
330.03864	2.7
339.05069	8.6
340.05548	1.3
341.06680	2.5
351.05087	2.3
353.06747	3.2
357.06067	2.7
369.06171	25.1
370.06506	3.0
381.06082	3.6
399.07260	20.3
399.12268	1.5
400.07440	2.7
411.07391	2.8
416.07544	5.7
417.08749	1.1
429.08130	5.0
441.08405	2.7
446.08551	7.0
447.09186	2.6
459.09433	34.6
460.09622	5.2
471.09207	1.4
489.10419	25.6
490.10886	2.6
519.11597	2.9
519.24249	1.8
561.12592	3.2
578.06628	1.0
579.13641	100.0
580.13977	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	577.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03330	1.1
58.00479	3.8
59.01262	99.0
60.01595	1.1
61.98709	0.5
63.01205	0.4
69.03342	1.5
69.30303	5.2
71.01267	29.6
72.01616	0.8
72.99197	6.5
73.02834	31.2
75.00771	1.9
80.96404	0.6
81.03325	0.6
83.01278	1.6
85.02839	12.7
86.00003	1.6
87.00767	9.9
87.04415	3.8
88.14714	0.5
89.02335	24.3
96.00819	0.8
96.95913	4.7
99.00775	1.3
99.04409	1.0
101.02344	60.4
102.02689	1.3
103.03913	23.5
104.04256	0.5
109.02873	0.6
112.98493	0.6
113.02343	3.9
113.03496	1.2
115.00284	0.6
115.03922	6.1
116.92826	0.5
119.03420	10.7
120.21795	0.5
125.02354	2.2
127.03946	2.0
131.03419	9.2
135.04431	0.5
143.03433	12.8
145.04991	7.2
148.69991	0.5
150.11130	0.5
161.04495	0.8
163.06065	100.0
164.06412	3.5
179.05585	0.7
205.07169	19.1
206.07605	0.5
235.08250	0.9
265.09290	6.8
269.04620	0.7
285.03802	0.8
307.10489	0.7
325.11548	1.6
381.06842	0.5
473.15509	0.8
556.50171	0.6
577.20142	0.7
577.29712	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	577.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.0
57.03337	4.7
58.00462	1.5
59.01263	54.7
60.01595	1.1
61.98711	0.5
69.03313	2.4
69.32128	0.7
69.32531	4.9
71.01270	41.8
72.01604	0.6
72.99197	2.1
73.02831	19.8
75.00764	0.9
81.03373	0.5
83.01269	10.8
85.02842	18.6
87.00765	3.4
87.04412	1.3
89.02332	16.4
95.01288	2.4
96.95889	1.2
97.02851	2.8
99.00777	4.8
101.02342	40.7
101.73403	0.5
103.03913	8.8
109.02872	0.5
113.02354	14.2
115.03880	1.5
119.03416	8.0
121.88746	0.5
125.02369	5.6
127.03909	0.7
131.03448	2.6
132.59142	0.5
137.09679	0.8
143.03438	5.0
145.05026	2.6
158.38489	0.5
159.02913	1.7
161.04498	13.4
162.04810	0.7
163.06068	25.2
164.06454	1.2
175.63924	0.5
179.05579	2.2
205.07109	5.6
209.15450	4.9
229.07126	1.4
247.08243	2.2
265.09387	2.5
279.06595	0.6
280.46896	0.6
288.98413	0.5
289.09036	0.5
295.06207	0.9
302.30353	0.5
306.09033	0.8
307.06421	1.0
307.10291	2.6
310.08536	1.0
322.08575	1.4
325.10812	3.1
326.11392	0.7
337.10916	3.7
371.20819	20.6
372.21149	2.0
517.26611	100.0
518.26990	18.0
577.28186	0.6
598.93829	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
57.59612	0.5
59.01265	29.8
61.98701	0.9
64.70882	0.5
65.00211	0.8
71.01276	4.0
71.18121	0.5
71.23958	1.0
71.24301	0.9
73.02831	0.6
78.95795	23.6
80.96403	1.3
85.02837	1.1
87.00764	0.9
89.02331	2.1
91.26016	0.6
96.96843	1.0
101.02367	2.9
107.01312	0.9
113.02345	0.7
125.02380	2.5
126.16176	0.6
151.00323	3.0
152.99535	3.0
161.02422	0.6
168.04314	3.8
209.11691	0.6
219.76610	0.5
224.06940	10.8
225.00769	0.9
242.08136	2.6
247.08009	2.8
259.20764	0.6
277.21780	100.0
278.22147	9.9
284.03275	1.1
309.04019	0.9
397.13605	0.7
433.13486	0.7
446.15353	3.0
446.65387	1.8
477.15714	3.4
495.16821	2.1
496.17426	0.9
502.29526	87.6
503.29913	12.1
577.26990	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	575.2725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.7
57.03349	3.9
59.01264	30.1
61.98720	6.6
63.02295	0.7
71.01270	17.7
71.56666	0.9
72.99207	9.5
73.02837	4.8
75.00764	100.0
76.01089	1.4
78.95792	2.0
81.75785	0.6
83.01295	2.1
85.02840	20.6
87.00788	5.6
89.02343	6.2
95.01285	5.5
96.95931	3.4
99.00768	7.8
101.02357	5.9
103.00275	2.3
113.02358	37.4
114.02712	1.0
115.00277	1.5
116.30468	0.7
117.01861	3.0
119.03417	1.6
125.02402	1.1
129.01855	1.8
151.00310	1.2
152.99512	1.6
153.18562	0.6
155.09668	0.7
155.10733	3.3
171.10155	1.0
175.02452	12.6
209.11807	2.2
216.09032	0.7
225.11478	0.7
248.08313	0.8
255.03021	25.8
256.03479	4.2
267.06708	0.7
283.02557	10.3
284.03271	11.6
285.03967	4.9
353.23550	2.0
381.09875	27.5
382.10254	5.0
399.10977	23.0
400.11200	3.4
405.19974	1.0
422.21042	0.8
423.20883	1.4
489.26886	2.7
531.28229	95.5
532.28558	13.4
557.12939	9.1
558.13379	2.3
574.32312	6.1
575.14362	10.2
575.32953	30.4
576.14471	1.8
576.33386	1.1
581.62494	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.7
57.03336	16.2
58.00481	4.7
59.01262	100.0
60.01593	1.2
61.98712	2.2
63.02295	0.8
65.00220	2.1
68.99680	0.6
69.03340	8.0
69.41474	5.0
69.41884	1.4
71.01268	62.0
72.01617	0.7
72.99197	8.0
73.02834	23.6
74.02390	0.7
74.03155	0.9
74.09779	0.6
75.00752	5.2
75.11768	0.7
81.03345	4.7
83.01273	7.5
83.04929	1.2
85.02842	27.5
86.00018	0.8
86.03205	0.7
87.00764	8.1
87.04429	1.3
89.02332	36.9
90.47507	0.5
95.01300	4.1
96.95924	2.1
97.02853	12.1
97.06519	1.2
98.20624	1.1
99.00783	5.7
99.04435	0.6
101.02343	53.2
102.02645	0.7
103.00277	0.8
103.03911	37.7
104.04237	0.9
107.01294	3.0
109.02846	1.1
109.06527	1.1
113.02356	12.0
115.03934	1.7
117.01838	1.4
119.03414	16.7
125.02361	47.7
126.02757	1.6
127.03973	4.0
129.01831	0.7
131.03453	2.6
132.84549	0.7
137.09636	3.1
139.07599	1.0
139.33781	0.6
139.36278	0.6
143.03442	6.6
145.05000	7.8
149.09685	1.0
151.00316	10.1
159.02988	0.7
159.04419	0.7
161.02353	1.0
161.04414	1.3
163.06062	49.3
164.06433	1.5
167.03484	0.8
169.01459	0.7
175.02472	2.8
175.03931	1.0
192.11504	6.3
193.11847	0.8
201.09270	1.8
205.07179	4.2
207.13885	27.1
208.14229	2.5
225.09277	1.0
229.05139	2.8
229.08803	3.0
247.08226	10.2
253.05127	2.3
253.08788	1.6
255.03087	1.6
255.06616	8.0
256.07013	1.0
257.08286	1.0
265.09274	0.8
266.98828	0.7
283.02670	1.2
283.09866	1.2
284.03076	1.1
289.09430	1.7
293.08347	1.5
295.09802	1.2
299.05762	1.3
307.10394	32.8
308.10919	1.9
309.04211	1.9
327.05127	6.6
327.12451	8.9
328.05396	0.8
328.12894	1.7
337.07440	0.9
337.10938	3.4
338.07672	0.7
355.11990	0.9
363.08685	3.2
381.04926	1.4
381.09839	20.7
382.10120	3.3
395.11349	0.9
399.10944	8.5
400.11392	1.4
413.12506	4.1
432.00644	0.7
503.08289	4.6
504.09286	0.9
515.25061	2.5
531.62561	0.7
537.32294	1.5
557.13165	10.0
558.13635	1.9
575.15771	5.2
575.31836	3.4
576.16406	1.1
576.31464	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	575.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	0.3
55.14916	0.2
59.01264	2.0
68.99717	0.3
69.69069	1.6
71.01265	5.0
72.99197	0.6
73.02824	1.4
75.00762	0.6
79.01745	0.3
80.96417	0.3
83.01283	0.7
83.04906	3.5
85.02834	3.5
87.00777	0.7
87.36890	0.3
89.02322	1.5
92.00666	0.3
95.01289	1.3
96.95892	0.3
97.02859	0.3
99.00790	2.3
101.02351	2.9
101.05984	19.5
102.06279	0.4
107.01311	0.3
108.02073	38.6
109.02885	10.5
110.03188	0.4
113.02345	2.7
118.80026	0.3
121.02843	0.8
123.00802	1.0
123.04424	0.5
125.02386	0.5
127.03951	1.5
133.02815	0.3
135.04428	0.6
137.02289	0.3
143.03496	0.3
145.04994	16.3
146.05324	0.7
149.02382	0.4
151.00243	0.3
151.03925	2.1
152.01085	100.0
153.01758	5.6
154.26349	0.3
161.04497	2.5
163.03937	4.6
164.98651	0.3
175.03897	0.5
177.01921	1.3
179.03496	1.4
193.04996	0.4
207.02931	0.9
237.04134	0.3
271.08200	0.9
277.29886	0.3
297.06085	0.6
315.07224	2.0
403.12521	3.3
429.10422	9.1
430.10721	0.8
447.11517	33.9
448.11755	3.5
557.14148	0.3
575.16241	75.4
576.16589	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	575.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.3
57.03332	1.8
58.22419	0.3
59.00997	0.4
59.01266	6.4
61.98711	0.7
63.02298	1.4
63.44546	0.3
65.00211	4.5
65.04058	0.3
67.01807	0.3
68.99700	0.4
70.33244	0.9
71.01270	5.8
72.99197	1.1
73.02830	0.8
75.00761	3.0
80.22752	0.3
83.01283	2.9
85.02843	9.3
85.03361	0.5
87.00780	1.7
88.98722	0.3
89.02348	1.3
95.01302	2.2
96.95921	1.9
99.00787	3.4
101.02330	1.0
103.00269	1.5
107.01297	7.1
111.00810	0.3
113.02358	13.7
114.16460	0.3
115.00290	0.8
117.01842	0.9
123.04434	1.2
124.01593	0.7
125.02378	5.5
129.01897	0.9
151.00307	19.5
157.01370	0.3
161.02396	0.6
167.03459	3.3
169.01393	0.4
172.05226	1.2
173.05989	0.6
175.02449	5.1
185.06050	1.2
186.06810	1.9
196.05182	0.9
199.07637	0.3
200.04836	0.7
200.08333	0.4
201.09198	5.3
211.07660	2.4
212.04735	0.3
213.05623	0.7
224.04832	0.7
225.08914	0.3
226.02776	0.7
227.07103	0.7
228.13892	0.3
229.08714	6.6
230.09019	0.6
240.04294	0.6
251.07133	0.5
253.08783	0.9
255.06635	4.3
264.04599	0.3
266.05930	0.8
277.08606	0.7
279.06580	1.7
283.02444	0.4
284.03201	0.8
291.10400	0.4
293.04510	0.3
293.08249	0.5
295.09811	0.9
306.05453	0.5
308.03345	1.0
309.04129	7.0
309.07440	0.3
310.04343	0.4
311.05713	0.3
319.09811	0.5
321.07422	0.4
323.05603	0.4
334.04813	0.6
335.09256	0.8
337.07220	4.3
337.10922	0.5
338.07599	0.5
353.10596	0.4
363.08823	8.2
364.09183	1.0
381.09869	100.0
382.10187	10.8
399.10870	2.0
413.12674	1.5
432.74731	0.4
539.11847	0.6
557.13129	55.7
558.13477	8.0
575.15576	1.6
575.30878	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	575.117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.5
59.01263	9.0
63.02267	1.1
64.64793	0.8
65.00188	0.9
69.43291	3.7
69.43716	3.8
71.01273	6.8
72.99196	3.3
73.02811	1.0
75.00771	4.9
80.96420	1.0
83.01290	1.4
85.02332	1.7
85.02840	15.3
87.00768	1.8
89.02343	2.3
95.01250	4.8
96.95924	6.0
98.20634	1.0
99.00776	5.2
101.02325	1.4
103.00260	3.9
107.01305	2.5
109.02830	1.0
111.00769	1.6
113.02357	30.7
114.02717	1.4
115.00292	1.4
117.01883	1.4
117.03396	4.5
121.02851	1.1
123.00755	1.1
125.02335	3.1
129.01820	1.1
130.04005	1.2
135.04401	1.0
139.00313	1.8
139.07034	0.9
141.01807	1.3
149.02351	2.3
151.00287	3.7
152.01027	1.1
161.02365	1.1
166.99759	1.2
175.02438	14.6
177.01830	1.2
178.99809	2.4
181.01317	1.3
183.04410	1.0
194.99245	1.2
222.04173	1.0
225.05594	1.7
254.98135	1.0
269.04599	100.0
270.04944	11.3
271.05249	1.3
285.04047	3.9
301.03702	1.1
381.07248	2.8
399.08408	3.9
445.07846	17.5
446.08136	3.3
461.42529	0.9
471.15466	0.9
530.29968	2.4
531.29907	1.4
575.11584	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	575.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05281	0.3
51.23706	0.3
57.03329	1.1
59.01264	13.6
61.98702	0.8
63.09845	0.3
65.00205	0.4
66.52753	0.3
67.01778	0.5
69.03343	0.5
71.01270	28.6
71.56419	0.4
72.01576	0.5
72.99199	1.1
73.02839	2.9
75.00758	1.4
78.95755	0.4
79.95619	6.3
80.95918	0.6
80.96409	19.2
83.01290	1.6
85.02844	7.5
87.00765	4.0
89.02334	3.1
95.01277	3.2
96.95915	19.7
99.00762	1.7
101.02344	3.2
103.00278	3.6
104.68482	0.3
107.01282	1.2
108.02072	0.4
109.02867	0.3
111.00765	1.5
112.25232	0.3
113.02360	14.2
114.02682	0.3
115.00283	17.1
116.00676	0.3
116.29099	0.3
117.03358	0.8
119.03424	1.6
121.02889	0.4
122.06011	0.9
122.97483	0.6
123.00791	0.5
125.02399	1.9
127.00325	0.3
129.01849	0.5
131.03412	0.6
133.02936	0.4
137.02383	0.4
138.97008	4.3
139.00282	1.2
140.01076	1.3
140.07053	0.5
141.01849	0.8
146.06064	0.3
147.04480	0.3
149.04503	0.7
151.00322	3.8
152.01086	0.7
153.01839	0.3
157.01373	2.7
161.02365	0.3
161.04543	1.1
162.96915	0.5
166.96501	2.7
166.99834	0.3
167.03418	0.4
169.01338	0.4
174.03227	1.0
174.97195	0.7
175.02449	30.8
176.02805	0.9
179.05585	0.6
181.01439	0.4
182.02203	0.4
189.05568	0.4
192.98108	6.3
193.01393	1.1
193.03465	0.8
193.98395	0.4
203.07112	1.2
210.99130	1.0
215.08278	0.6
226.12457	0.4
227.08356	0.8
231.11494	0.3
236.97037	0.7
241.05168	0.4
241.09836	1.4
254.10638	0.4
254.98203	100.0
255.11464	0.9
255.98529	4.7
256.98160	1.0
257.04514	0.4
261.12372	0.4
269.12885	0.7
272.99283	0.9
273.07843	0.4
283.02533	0.4
284.03165	0.3
285.04056	1.3
297.04138	0.3
298.04843	0.5
301.03558	1.1
302.04327	1.0
313.12015	0.5
319.04596	1.0
327.08899	1.6
327.12149	0.4
328.28534	0.3
355.08292	6.4
356.08502	0.5
363.08609	0.4
381.09952	2.2
394.17844	1.1
399.10919	7.9
400.11316	0.9
412.18866	0.5
447.09583	0.3
453.18869	0.4
515.24713	0.4
525.03613	1.4
533.26031	0.4
557.13110	0.9
575.04095	0.5
575.14734	2.2
575.25635	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	574.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73459	0.4
55.01766	1.5
57.03327	1.4
58.00483	1.3
59.01260	64.2
60.01572	0.5
66.33950	0.4
69.43269	3.1
71.01263	21.2
72.99200	1.5
73.02834	3.8
75.00758	1.9
83.01279	2.3
85.02838	9.2
87.00768	1.8
89.02332	14.1
95.01279	2.9
99.00763	2.9
101.02341	16.0
102.02710	0.5
103.00291	0.6
111.00814	0.5
113.02352	15.0
113.09624	0.5
114.02683	0.4
114.09122	0.4
115.07597	1.9
117.01917	0.5
119.03404	4.8
125.02382	0.5
129.01913	0.5
131.03419	0.5
137.09660	1.4
138.11259	0.3
139.07590	0.4
143.03400	0.8
155.10713	3.5
156.10211	1.5
157.08629	2.1
158.11789	4.0
159.02951	0.8
161.04486	1.9
163.24281	0.3
168.13879	0.5
175.02409	2.7
179.05557	0.8
191.14421	0.6
194.15479	0.4
198.14966	0.8
200.12872	3.3
209.11877	0.4
209.15439	0.5
209.19084	1.1
222.53307	0.3
227.25435	0.4
235.16838	0.4
236.16661	0.7
255.02948	4.0
283.02475	2.3
284.03348	1.6
294.70966	0.3
305.43271	0.4
320.17310	2.0
362.18250	0.9
381.09811	4.7
399.10944	4.0
422.20560	0.5
476.24866	0.8
514.30066	0.8
530.26813	0.8
556.31268	3.2
557.12891	1.1
558.20575	0.5
574.32397	100.0
575.14362	1.8
575.32751	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	574.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14854	0.2
55.01772	1.3
57.03335	1.9
58.00481	1.3
59.01262	61.8
60.01601	0.7
61.98707	0.6
68.99731	0.3
69.03355	0.4
71.01267	23.1
71.04884	0.4
72.01576	0.2
72.99191	2.1
73.02831	4.1
73.49711	0.2
75.00760	2.5
81.03336	0.2
83.01275	2.4
83.04930	0.3
84.25031	0.2
85.02841	12.8
85.09944	0.2
87.00768	1.9
89.02335	15.2
89.75476	0.2
90.02692	0.3
95.01288	3.3
97.02869	0.3
98.20613	0.3
99.00783	4.2
99.08080	0.2
101.02341	16.5
102.02702	0.4
103.00255	1.1
111.00776	0.5
113.02354	20.5
113.09653	0.4
114.02694	0.3
115.00247	0.4
115.07554	2.7
117.01816	0.9
119.03405	4.6
125.02354	0.7
129.01855	0.9
131.03400	0.4
132.15968	0.2
137.09581	1.1
140.10692	0.3
143.03409	0.8
143.35347	0.2
149.04523	0.3
151.00296	0.2
152.01128	0.2
155.10687	2.0
156.10237	2.0
157.01283	0.4
157.08641	0.5
157.20854	0.2
158.11806	6.7
159.02930	0.8
161.04498	1.8
168.13914	0.6
169.12352	0.4
175.02434	4.3
179.05553	1.0
191.14410	0.8
193.12262	0.3
193.16051	0.2
194.15508	0.3
200.12785	0.3
206.42609	0.2
209.11903	0.3
209.15456	0.8
209.19069	0.7
210.17410	0.2
211.13411	0.4
234.18619	0.3
235.16948	0.3
236.16521	0.5
255.03006	8.3
283.02499	3.4
284.03323	2.2
285.04074	1.1
320.17151	3.2
321.17334	0.2
334.23801	0.6
346.55444	0.2
346.77054	0.2
353.23737	0.2
365.33545	0.2
381.09851	10.8
399.10892	10.6
413.12546	0.3
458.23947	0.3
459.05652	0.3
476.25153	0.7
496.29266	0.3
514.30341	0.7
531.28284	0.7
556.31433	3.3
557.13080	1.9
557.31482	0.5
574.32397	100.0
575.14380	3.4
575.32715	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	573.3064
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
59.01266	15.1
61.98706	2.5
62.89346	0.8
70.75920	2.1
71.01272	7.1
72.99202	1.1
73.02841	2.5
75.00776	4.1
79.95620	0.7
83.01273	1.0
85.02827	2.0
87.00751	0.9
89.02338	5.8
95.01332	0.8
96.95910	15.6
98.95479	0.7
101.02344	3.3
102.46456	0.8
113.02338	2.5
115.00305	0.8
116.92757	1.4
119.03447	1.8
151.00311	1.4
161.04521	1.4
175.02382	0.9
179.05600	1.1
194.47084	0.8
200.65750	0.7
203.79884	0.7
227.06995	0.8
230.35217	0.7
259.09460	0.9
269.04669	1.7
300.02997	0.8
375.27597	3.0
379.08383	1.4
390.48215	0.8
397.09302	2.2
513.27454	1.1
535.31189	1.7
537.32910	46.3
538.33289	8.2
573.30621	100.0
574.30975	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	574.288
Annotation	Unknow
Peak:m/z	Relative Intensity
54.04626	0.1
59.01258	0.6
59.83432	0.1
61.98715	100.0
62.98400	0.1
69.96483	0.1
69.96885	0.2
71.01261	0.1
71.50243	0.1
78.95811	0.1
81.34319	0.1
101.02396	0.1
118.90460	0.1
147.45428	0.1
209.11845	0.3
210.12239	0.3
211.12404	0.1
228.13304	0.1
575.34613	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	573.3063
Annotation	13beta,29-Dihydroxymilbemycin A4
Peak:m/z	Relative Intensity
52.28260	1.3
59.01262	18.8
61.98714	6.5
71.01275	9.9
71.56699	1.2
73.02816	1.3
75.00764	3.8
80.56317	0.9
82.56319	1.1
83.63876	1.1
83.85484	1.0
85.02845	3.8
87.00732	1.5
89.02364	6.1
96.95920	8.7
101.02388	5.6
108.02090	1.2
112.19460	1.1
113.02311	5.2
119.03388	2.5
125.02366	1.2
143.04630	1.1
151.00299	2.9
161.04503	1.7
175.02394	1.1
179.05621	1.4
191.03505	1.3
215.65485	1.0
269.04691	1.9
299.02072	1.7
300.02859	2.6
307.03217	1.1
375.27631	3.0
379.08176	1.3
392.78601	1.2
393.21350	8.2
397.09561	3.1
535.31580	4.9
537.32922	66.2
538.33063	9.6
573.30536	100.0
574.31067	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	572.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.6
59.91912	0.2
61.98714	100.0
69.52972	1.9
71.01268	0.3
75.00769	0.8
75.16640	0.3
78.95793	0.7
88.44366	0.2
89.02335	0.4
96.95911	0.3
97.06478	0.3
112.18446	0.3
125.09679	0.4
133.76912	0.3
166.50844	0.3
171.09996	0.3
197.11771	0.3
209.11797	1.6
210.12222	0.8
231.66678	0.3
305.25943	0.3
319.25018	0.3
343.19785	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	0.4
61.98714	100.0
62.98405	0.1
64.06771	0.1
70.31730	0.4
70.32083	0.1
77.78516	0.1
82.01757	0.1
84.32521	0.1
117.00265	0.1
130.89037	0.1
138.93604	0.1
184.14330	0.1
209.11934	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	571.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73725	0.3
55.17996	0.3
57.03288	0.8
57.39565	0.3
59.01197	7.5
61.98646	1.8
62.77940	0.4
64.50611	0.4
66.37446	0.4
69.65066	1.6
69.65476	1.2
70.52440	0.4
71.01195	2.0
72.99148	0.6
73.02772	1.1
75.00701	1.6
76.92847	0.4
78.95751	0.5
83.04863	0.4
85.02794	0.9
85.29826	0.4
89.02271	1.3
93.15832	0.4
96.95924	5.1
96.96793	0.4
97.06454	0.5
98.20554	0.6
99.00704	0.5
101.02316	0.7
109.02797	0.4
113.02271	1.2
123.08047	1.0
125.09563	0.9
136.41014	0.5
137.09546	0.5
155.10684	0.5
171.10216	2.3
185.11700	1.4
191.03389	1.4
219.06621	0.5
262.74680	0.4
282.11588	0.5
284.03156	0.7
285.03925	0.9
317.13962	0.6
343.24893	0.9
355.25024	1.5
371.24472	7.9
372.24820	1.6
373.26007	100.0
374.26315	10.2
395.07593	0.6
491.28934	1.2
571.29065	18.7
572.29712	3.6
580.34021	0.4
596.38556	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33394	0.5
59.01264	59.8
60.01596	0.8
61.98716	16.6
70.79833	0.7
70.80166	1.2
71.01225	0.6
75.00782	1.3
78.95792	1.1
80.02569	0.8
83.04919	3.1
85.02790	0.6
93.60027	0.5
95.04944	0.5
96.95911	1.0
104.34814	0.6
110.90342	0.6
113.02327	0.7
125.09663	0.6
125.24680	0.6
128.12816	0.5
135.08002	0.7
139.04607	0.5
154.84459	0.5
157.69849	0.5
163.11212	2.6
165.12770	1.5
171.10228	2.5
184.66116	0.5
186.23514	0.6
191.10794	1.2
197.11740	0.7
199.13326	1.5
209.11812	100.0
210.12149	4.8
210.43205	0.5
227.10765	1.0
227.12906	16.1
227.15182	1.0
228.13213	1.6
247.13393	0.6
265.14355	0.8
348.10394	0.6
375.21869	0.7
401.23483	1.2
471.47232	0.6
475.27478	1.4
493.28036	1.7
511.29495	0.6
571.31598	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	571.2901
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
55.89991	0.3
71.15195	0.9
72.24310	0.3
76.26870	0.4
78.95795	54.1
96.96870	12.1
98.20499	0.4
104.89124	0.4
134.98447	0.6
150.97984	1.2
152.99530	54.7
153.99925	0.9
171.00577	0.7
181.94998	0.4
187.02245	0.3
188.79530	0.4
198.37604	0.4
206.33588	0.4
222.15779	0.4
223.00159	2.0
241.01224	31.2
242.01550	0.6
255.23332	66.5
256.23660	7.1
259.02377	0.7
315.04974	8.2
316.05432	0.5
322.21503	0.4
344.09036	0.4
347.88818	0.4
391.22614	4.6
392.22867	0.5
571.29004	100.0
572.29382	13.8
572.38446	0.6
589.99219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64054	0.4
57.03302	1.0
59.01214	7.8
61.98700	1.9
65.25003	0.4
67.81342	0.4
71.01263	2.5
71.57144	0.8
72.99171	0.7
73.02799	1.1
75.00756	2.7
78.95773	0.4
85.02785	0.8
87.00716	0.8
89.02328	2.3
96.95919	5.5
97.06486	0.6
99.00701	0.5
101.02292	1.5
113.02296	1.9
119.03365	0.8
119.74363	0.5
123.08021	0.8
125.09617	0.4
127.11240	0.5
161.04442	0.5
163.03873	0.5
171.10182	2.2
179.05544	0.5
185.11674	1.3
191.03387	1.2
215.12866	0.6
216.07726	0.5
223.80385	0.4
229.14409	0.6
272.41211	0.4
284.03320	1.4
285.04111	2.3
317.13885	0.9
343.24512	0.8
351.08704	0.7
355.25012	1.0
371.24414	5.7
372.24811	0.7
373.26004	100.0
374.26392	12.3
383.04437	0.4
395.07986	1.4
395.57440	0.5
461.07132	0.8
464.80930	0.5
491.28574	0.8
535.31354	0.8
571.29083	21.9
572.29755	3.9
580.62738	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.29
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01270	0.7
59.63261	0.3
60.98926	0.3
61.63094	0.4
62.96288	0.6
68.37337	0.3
71.56633	0.4
71.56956	0.3
78.95791	58.5
81.94903	0.3
85.20206	0.3
87.91212	0.3
96.96860	13.7
104.29486	0.3
134.98442	0.7
150.97922	0.7
152.99519	57.7
153.86200	0.3
153.99821	1.0
171.00655	0.8
223.00154	2.2
224.40729	0.3
241.01213	30.0
242.01515	1.1
255.23318	70.3
256.23621	5.7
259.02393	0.6
284.08179	0.4
299.83136	0.3
315.04956	8.1
391.22729	4.8
392.22495	0.5
571.28973	100.0
572.29260	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	570.2567
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93748	0.2
51.45086	0.2
52.54052	0.2
59.01268	0.6
61.98716	100.0
65.41341	0.2
66.37678	0.2
69.77052	0.2
71.36107	0.3
78.95786	0.3
86.69265	0.2
122.33463	0.2
135.04492	0.4
147.04463	0.2
148.05223	0.4
191.03488	0.2
209.11891	0.3
337.65820	0.2
337.77707	0.2
503.52298	0.2
533.58813	0.2
542.43927	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	2.7
58.23825	2.1
59.01263	93.5
61.98719	18.7
69.73403	12.5
69.73817	5.3
71.01272	4.4
71.04908	19.4
75.00755	8.0
78.95787	8.7
83.04919	3.9
96.08054	3.6
96.95820	3.4
97.02706	2.1
97.06478	3.5
107.04916	2.5
110.06024	10.5
111.08070	3.6
113.02374	2.6
114.09147	3.5
115.07556	34.8
122.06016	15.3
140.10757	7.4
152.99513	4.0
163.11198	3.2
165.12796	35.1
171.10156	4.7
181.12314	3.3
183.13866	55.6
183.15375	4.2
184.14246	3.2
189.30379	3.5
191.03650	2.4
195.17490	13.6
209.11798	55.3
211.17017	18.7
227.12909	29.7
237.18588	23.1
238.18997	3.5
239.16551	6.7
257.17636	15.6
257.93555	2.7
258.18164	2.6
262.21790	5.7
269.13950	38.2
281.17575	21.1
288.19748	3.1
294.20898	2.7
299.18692	100.0
300.19012	9.6
306.20764	9.5
324.21817	31.0
338.19690	3.5
341.19763	80.2
342.20081	9.7
350.19763	3.6
366.22888	19.6
392.20804	3.7
422.29315	5.4
423.27502	3.8
451.21170	7.3
464.30383	3.2
482.31299	5.2
484.36426	3.0
496.29654	2.8
526.30328	11.2
527.30725	2.9
559.67438	3.0
571.26624	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	569.2985
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01585	1.0
61.98714	4.2
63.70086	0.8
65.86502	0.9
68.73993	0.7
71.01262	1.7
71.04895	1.7
71.56854	1.5
71.57250	1.0
73.71310	0.9
74.59808	0.9
75.00761	2.1
78.95803	4.1
83.04922	1.6
85.02846	1.1
88.02951	0.9
97.06487	1.5
99.00773	1.4
108.48056	1.0
109.06504	1.1
113.02402	1.1
113.09714	1.2
113.18018	1.3
115.07540	1.6
119.76530	0.9
125.09632	1.2
140.10750	5.6
152.99545	1.1
163.11227	2.7
165.12761	1.7
169.12296	1.7
171.10207	5.2
178.47871	0.9
179.85675	0.8
181.12309	4.3
183.13916	4.1
197.11798	1.0
207.10258	9.5
209.11810	36.6
210.12183	1.9
211.17033	1.3
225.11331	37.5
226.11613	1.6
227.12878	7.9
235.14511	1.0
237.18498	1.6
245.13680	1.1
257.17715	1.2
269.14078	2.9
281.17627	1.3
291.14285	0.8
299.15536	1.0
299.18774	5.3
303.23389	1.1
324.21826	1.6
341.19846	5.0
366.22919	1.0
373.23938	1.3
384.15829	1.5
421.26108	1.3
447.27704	3.3
448.28061	1.0
465.24915	2.8
491.26514	4.9
509.27817	2.8
526.30408	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	568.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	14.5
57.07775	2.5
59.01265	18.6
61.98708	9.9
71.04892	4.5
71.35902	6.0
78.95785	10.1
81.00861	2.6
83.04945	2.6
91.77856	2.4
96.08078	28.7
96.95959	3.7
97.06454	3.0
111.08035	5.3
113.05975	4.8
125.09623	13.6
134.32245	2.5
143.10736	3.7
163.77950	2.7
165.12784	17.3
169.12262	5.1
181.12334	2.8
183.13881	35.5
185.11865	2.8
192.13905	2.8
194.11824	3.6
199.13371	4.7
208.17058	16.8
209.11804	5.8
210.14986	32.6
211.15460	3.1
227.12852	12.6
236.12749	3.1
245.13977	13.2
250.77512	3.2
254.13989	8.6
260.94681	2.8
262.21899	3.1
270.17068	8.0
275.33508	3.1
287.14856	3.3
420.27753	6.5
438.28329	4.0
464.26566	47.7
465.26669	9.3
482.27731	29.3
483.27740	6.1
524.28766	100.0
525.28833	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	567.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50100	0.8
50.80395	0.7
55.01766	2.0
57.03326	2.3
58.00483	1.0
59.01264	77.2
61.98716	25.4
63.59577	0.7
65.24462	0.7
67.61737	0.7
69.03322	1.1
69.24406	8.3
71.01269	33.2
72.99171	2.9
73.02835	9.9
75.00767	6.0
78.95771	2.2
83.01281	5.0
85.02850	15.0
87.00767	3.0
88.98654	1.2
89.02338	11.3
95.01253	2.5
96.95905	2.7
97.02859	1.2
99.00780	3.7
101.02345	27.0
109.06474	0.8
111.00751	1.2
113.01635	1.3
113.02358	15.1
119.03425	3.1
125.02368	1.8
133.02863	0.9
135.04466	1.3
141.01588	1.1
143.03474	1.0
151.00317	1.9
159.03027	1.1
161.04512	10.8
163.06093	1.0
171.10284	1.5
179.05588	1.1
185.75047	0.8
191.03387	1.2
209.11818	4.2
210.12170	1.0
229.08887	1.0
263.09396	1.3
285.03906	1.2
297.35458	0.9
299.26065	1.4
345.30240	5.5
345.33841	1.2
410.15424	1.1
488.42093	0.8
488.52527	0.8
507.35474	100.0
508.35873	15.0
567.28009	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	567.3764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08632	0.7
55.01765	0.9
57.03321	2.3
58.00484	1.3
59.01264	81.2
60.01595	0.9
61.98718	23.9
69.03351	0.8
71.01268	34.8
71.59500	1.2
72.01609	1.2
72.99204	3.2
73.02833	10.9
75.00771	5.8
76.19904	0.6
78.95791	1.1
83.01285	5.6
85.02840	15.1
87.00762	1.9
89.02339	10.3
95.01281	2.5
96.95914	1.8
97.02842	1.5
99.00785	5.2
99.04443	0.8
101.01703	1.4
101.02348	23.1
109.02885	0.7
111.00768	1.2
113.02355	15.7
119.03408	3.1
125.02374	1.7
125.96116	0.7
129.01785	1.1
131.58031	0.7
135.04445	1.3
141.01639	1.4
143.03392	1.2
147.04478	0.7
151.00285	1.3
155.42905	0.6
159.02962	2.5
161.02388	0.9
161.04512	8.9
162.04933	1.1
183.79053	0.6
209.11948	3.2
229.08653	0.8
229.75499	0.8
243.06577	1.5
247.07852	0.8
285.04193	1.1
299.25888	1.7
327.33667	0.7
345.20789	1.3
345.30215	6.1
410.16635	0.8
507.35474	100.0
508.35788	15.5
567.28741	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	567.1364
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53609	0.5
59.01262	3.2
65.99334	0.6
71.01257	5.2
71.55266	1.3
72.99209	1.1
73.02840	1.8
75.00764	1.5
80.86934	0.5
82.71326	0.4
83.01275	0.8
85.02847	3.3
87.00771	0.9
89.02341	2.7
93.03352	15.8
94.03673	0.7
95.01321	1.1
96.07439	0.5
96.95908	0.9
97.04321	0.5
98.65823	0.6
99.00760	1.8
101.02342	2.8
108.02077	51.2
109.02282	0.6
109.02887	9.9
113.02334	2.5
116.92731	0.6
119.03336	0.5
119.04930	0.6
121.02902	1.7
123.00782	0.5
125.02357	0.5
133.02878	0.8
134.03613	0.6
135.04453	7.2
137.02373	21.7
138.02716	0.9
147.04446	1.0
149.02257	0.5
150.03276	0.5
151.03935	1.2
152.01089	100.0
153.01764	4.8
161.02400	1.5
161.04510	1.1
163.03947	4.1
165.05560	1.0
177.01884	1.4
179.03464	1.9
190.11180	0.5
193.05005	0.6
196.80939	0.6
207.02986	0.7
209.04501	0.9
237.03915	1.0
262.14526	0.5
315.07385	1.1
345.15518	1.4
357.13486	0.8
405.17477	0.8
429.10468	12.8
430.10800	1.8
447.11548	15.4
448.12030	1.4
498.00861	0.5
567.13666	86.3
568.14087	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	566.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	0.5
59.01264	63.8
60.01612	0.6
61.98717	100.0
71.01270	8.5
71.59280	0.4
72.99196	1.0
73.02840	2.6
75.00760	3.4
78.95794	0.5
83.01283	1.7
85.02847	3.9
87.00777	1.0
87.04421	0.6
89.02329	3.9
95.01279	1.3
96.95898	0.7
99.00784	1.5
101.02335	5.6
101.05981	0.9
113.02351	4.9
119.03390	1.3
125.02351	0.8
127.03931	0.4
134.14806	0.4
151.00294	0.8
161.04437	2.0
179.05554	0.8
209.11728	0.9
210.12000	0.4
220.14101	0.4
297.20505	0.4
331.25040	0.5
340.82645	0.4
399.23972	13.3
400.23917	1.5
417.24976	9.2
418.24869	1.1
459.26035	6.3
460.26086	1.3
505.33655	0.5
507.27280	0.5
566.31348	0.7
567.29285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.1
57.03329	5.5
58.00480	2.7
59.01263	93.8
61.98713	19.9
65.01497	1.2
66.84000	1.4
69.03375	1.2
71.01268	63.1
71.57214	1.6
72.91088	1.4
72.99191	4.2
73.02831	16.9
75.00750	12.8
78.95795	1.9
80.96396	1.2
83.01265	6.5
83.04893	1.1
85.02844	23.7
87.00772	5.3
89.02335	23.4
95.01286	4.1
96.95908	5.0
99.00782	16.6
101.02341	41.2
101.03011	2.1
113.02356	30.5
119.03417	10.8
119.04894	1.6
121.02879	2.2
125.02354	3.4
133.02867	3.1
134.03621	1.9
135.04442	7.6
143.03377	4.1
147.04417	4.4
148.05246	7.3
151.00258	2.6
157.12241	2.8
159.02927	3.6
160.01598	2.0
161.02368	2.6
161.04503	29.5
163.03906	2.9
175.02412	1.3
177.01837	1.8
178.02696	1.3
179.05579	8.6
191.03464	8.9
192.04176	3.8
205.03413	1.5
207.10249	1.5
209.11827	15.7
210.12105	1.8
211.13370	4.6
223.41092	1.2
225.11288	1.7
313.27493	5.0
325.14343	1.3
327.16077	1.9
341.26901	2.9
343.15280	1.6
343.28574	29.7
344.28888	3.0
353.13943	1.6
371.14813	2.6
397.13556	2.1
406.74899	1.3
415.14923	1.8
422.14798	2.9
449.92123	1.4
478.18399	2.9
501.92371	1.5
505.33932	100.0
506.34259	15.9
521.30518	1.5
557.19501	2.6
565.28168	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	565.3605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	2.3
56.84702	1.1
57.03324	3.1
58.00468	2.7
59.01264	82.6
61.98721	14.9
66.08416	1.0
69.36415	5.8
69.36855	5.2
71.01267	53.3
72.01590	1.7
72.99203	4.8
73.02828	11.8
75.00761	9.0
78.95792	3.1
82.84849	1.2
83.01264	5.4
83.04857	1.4
85.02843	20.8
87.00768	3.7
89.02341	28.2
95.01299	4.5
96.95912	1.8
97.02823	1.6
99.00778	11.9
101.01702	2.5
101.02348	36.7
108.02016	1.2
110.97879	1.2
113.02361	20.7
117.01842	1.7
119.03414	12.7
121.02851	1.3
125.02353	2.6
129.74591	1.2
133.02904	1.8
134.03683	1.9
135.04436	7.6
143.03412	2.7
147.04428	4.3
148.05238	9.0
151.00278	2.7
157.12267	2.5
161.02399	1.7
161.04489	9.9
163.03925	2.2
179.05530	5.1
179.79507	1.1
184.53519	1.2
191.03445	6.0
192.04216	2.3
209.11839	4.2
210.12209	1.3
211.13371	2.2
255.03075	2.3
274.25137	1.4
343.28510	9.8
369.66403	1.3
445.19104	1.3
451.33865	1.2
458.03073	1.3
463.19843	1.5
474.69458	1.4
477.17242	1.5
505.33951	100.0
506.34235	17.3
521.29852	1.5
565.35370	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	565.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12933	0.9
54.48845	1.0
55.01758	3.1
57.01317	1.1
57.03334	6.1
58.00472	3.1
59.01262	88.4
60.01587	1.5
60.89542	1.1
61.98713	33.4
61.99215	1.3
65.00187	1.0
68.99698	1.2
69.03320	1.2
71.01267	59.3
71.57434	2.5
72.99203	5.2
73.02833	16.2
75.00753	13.4
78.95780	9.2
80.05678	1.0
83.01261	9.8
83.04929	2.0
85.02840	26.8
87.00784	5.4
89.02341	14.2
93.03354	1.0
95.01279	3.9
96.88303	1.0
96.95918	1.8
96.96840	2.1
97.02816	1.6
99.00777	19.4
100.85501	1.3
101.02341	33.5
105.03325	1.4
107.60268	1.1
111.00812	1.6
113.02343	26.8
113.03076	2.1
116.92744	2.4
117.01837	1.6
119.03399	6.0
121.02869	3.0
125.02325	5.1
133.02875	5.5
134.03639	3.6
135.04463	9.0
137.02345	2.1
143.03410	3.8
143.10683	3.7
143.19165	1.2
147.04475	5.9
148.05226	12.8
149.04433	1.8
151.00290	3.4
159.02913	4.7
159.04175	1.4
160.01570	1.7
161.02382	2.2
161.04503	21.0
163.03922	4.4
174.03131	1.3
175.03877	1.4
177.01848	4.4
178.02689	3.9
179.05615	3.2
191.03459	9.6
192.04247	5.5
194.91811	1.4
197.11768	1.1
207.10306	2.0
209.11736	5.3
210.12299	1.0
211.13356	4.2
211.16946	1.8
237.22214	1.1
241.01024	1.4
255.03044	1.3
285.04065	1.9
309.04044	1.4
311.13068	1.2
313.27383	2.2
327.16187	1.6
343.24731	2.0
343.28586	27.1
344.28857	3.8
419.21017	1.3
445.18744	3.1
454.45389	1.2
461.31442	6.5
463.19653	3.5
469.17798	1.7
477.17673	2.8
477.67914	1.4
478.18301	4.1
482.64783	1.2
505.33902	100.0
506.34189	15.9
521.20319	1.9
521.29199	1.1
557.19324	1.4
565.27686	3.9
565.36682	5.2
566.20428	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	565.1579
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
57.03356	1.5
59.01271	6.5
71.01260	5.9
71.55772	1.3
71.56126	1.8
71.74376	1.1
73.02832	1.9
74.06171	1.2
75.00746	2.4
79.01785	1.5
81.03384	2.3
83.01283	5.2
85.02853	2.9
87.00772	2.0
89.02319	3.9
93.03361	8.3
95.01281	1.4
95.04946	1.7
96.95905	1.9
97.02868	4.8
99.00796	2.3
101.02348	3.5
107.01297	8.4
107.04926	2.2
107.09875	1.4
108.02083	1.6
109.02865	4.4
111.04426	2.1
113.02337	3.9
114.22298	1.2
119.04941	43.5
121.02858	3.6
123.00815	2.8
123.04426	3.1
125.02393	11.6
135.04445	3.5
137.02397	7.8
139.03947	5.9
140.04277	1.4
143.05005	6.4
145.02910	7.9
147.04480	3.2
149.02380	4.6
150.03191	1.3
151.00255	6.0
151.03976	2.8
152.01068	4.3
153.01843	1.7
155.03442	1.6
159.04477	1.6
161.02286	2.1
161.05998	2.5
163.00342	3.9
163.03940	3.8
164.01085	1.5
165.01901	4.8
165.05437	1.4
167.03433	10.7
175.03999	2.6
177.01897	7.5
177.05547	1.4
178.02708	1.3
179.03461	6.5
185.06116	1.3
187.03963	6.0
191.03435	4.1
192.04199	1.3
193.01393	12.3
193.05048	2.1
197.04536	4.4
199.07658	4.1
205.01408	11.5
205.05136	1.7
206.02037	2.0
207.03024	4.4
209.04555	5.3
219.03065	5.8
221.04564	1.9
223.02443	4.2
227.07152	3.2
235.02518	14.4
239.05518	2.3
241.08717	2.1
243.06465	1.3
247.02588	1.8
249.04170	1.2
261.04114	2.5
265.03613	7.0
265.08643	1.7
267.06726	2.1
271.06180	4.3
283.06110	3.5
297.07913	2.6
313.07266	21.4
313.10614	2.3
325.07288	9.7
329.88602	1.3
343.08301	10.0
353.06918	1.5
355.08286	76.1
356.08673	7.8
367.08337	5.8
369.10110	1.7
385.09366	77.6
386.09790	8.2
397.09290	4.5
415.10507	22.9
416.10706	1.8
416.23474	1.5
427.10504	6.4
428.10703	2.0
445.11536	24.9
446.11874	3.6
457.11401	5.5
475.12637	20.7
476.13177	1.8
487.12683	2.5
505.13666	2.8
529.13696	1.5
547.14514	4.4
548.14746	1.4
565.15784	100.0
565.24872	7.4
566.16028	14.2
566.24188	2.0
593.10846	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	563.2723
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59653	1.2
55.01764	3.9
57.03341	6.8
58.00482	1.7
59.01266	59.6
61.98719	2.1
68.47752	1.3
69.03341	3.0
71.01272	77.7
71.56225	2.4
71.82365	1.6
72.01588	1.4
72.99191	5.6
73.02838	23.2
75.00765	5.7
83.01289	9.3
85.02843	31.2
87.00791	6.6
89.02333	37.3
95.01276	5.3
96.95918	6.5
97.02847	2.9
99.00796	9.5
101.02348	48.1
111.00869	1.6
113.02357	33.3
119.03408	11.0
125.02360	5.6
131.03424	5.0
143.03424	5.6
149.04535	9.0
152.01152	1.3
157.08626	1.4
159.02966	5.2
161.04509	27.0
163.06059	4.0
171.10168	2.3
179.05551	5.1
191.05522	1.8
201.11308	4.4
205.03571	2.0
209.15404	5.7
223.13478	2.7
269.04514	2.7
273.18512	2.0
371.20828	58.6
372.21118	6.6
383.07861	1.8
401.22046	5.0
489.27219	5.4
503.25085	100.0
504.25464	13.2
517.26752	16.1
518.27191	2.2
563.13776	3.3
563.31293	23.2
564.31445	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	563.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94041	2.0
57.03948	1.8
59.01268	18.5
61.98725	9.3
70.26144	2.1
70.73082	6.0
71.01268	8.1
75.00768	7.4
78.95798	3.6
81.03349	2.6
83.04923	6.4
84.02055	2.3
85.02827	2.2
96.95910	3.8
97.02825	3.5
101.02381	2.1
109.06496	22.1
122.17426	2.1
125.09618	4.5
126.93706	1.7
132.40643	1.8
135.08110	2.3
163.11250	17.0
165.12775	4.6
171.10284	2.6
181.12263	5.5
185.11784	5.9
207.10240	45.2
208.10652	2.5
209.11819	100.0
210.12177	7.9
225.11313	30.1
227.12868	12.3
281.14285	2.9
299.15030	6.0
318.81049	2.0
326.54999	2.0
352.01126	2.1
473.25430	4.7
510.28452	3.3
519.31085	4.8
563.13800	3.6
563.28021	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	563.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.44907	0.5
58.37591	0.4
59.01264	2.3
69.53006	2.2
69.53417	1.1
71.01270	12.5
71.37292	0.4
72.99190	1.4
73.02829	1.0
75.00761	0.8
81.17443	0.4
82.66900	0.4
83.01250	0.8
85.02837	2.7
85.61295	0.4
87.00768	6.7
87.04398	1.4
87.21969	0.4
89.02328	4.9
95.01289	1.1
95.60896	0.4
96.95899	0.9
98.20456	0.9
99.00802	1.1
101.02360	1.1
108.02074	33.4
109.02880	8.5
113.02359	1.4
121.02863	0.7
123.00800	0.4
133.04987	31.0
134.03618	0.7
134.05371	0.9
135.04404	0.7
151.03975	0.5
152.01088	76.2
153.01724	3.6
161.04457	0.7
163.03929	3.5
165.01888	0.4
177.01906	1.0
179.03456	0.5
207.02975	0.9
297.06207	0.6
315.07199	1.3
340.29813	0.4
353.22214	0.4
411.09320	0.6
412.12372	0.5
429.10437	43.2
430.10782	4.3
447.11450	9.8
448.11829	0.8
519.13684	3.6
563.16241	100.0
564.16553	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	563.1418
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
56.23220	0.2
69.66329	1.1
69.66740	0.8
71.01268	0.4
78.04610	0.3
82.90048	0.3
88.17901	0.2
91.05465	0.3
93.03364	0.7
95.04930	0.3
96.76193	0.3
102.97834	0.3
110.24268	0.3
117.03377	2.7
119.05008	0.3
126.21322	0.3
135.04463	1.2
143.04868	0.3
147.04436	0.6
149.02399	0.5
151.11259	0.3
159.04520	0.5
161.02429	1.5
163.03960	1.0
170.94844	0.3
175.02550	0.3
175.03978	0.8
177.01913	0.4
177.05573	0.6
181.30161	0.3
191.03508	1.1
203.03508	1.0
217.05017	0.4
221.04652	0.6
233.04672	0.7
251.06979	0.3
267.06659	0.4
268.07501	0.6
281.04633	0.6
282.05441	1.2
282.52039	0.3
283.06198	2.1
294.05350	0.4
295.06183	3.4
296.06808	2.0
297.07751	14.7
298.08008	0.8
307.06241	1.2
309.07684	1.4
311.05621	2.6
314.04538	0.4
323.05676	3.2
324.06271	1.4
325.07245	8.4
326.07669	0.8
328.06000	2.1
335.05606	1.3
337.07303	2.6
341.06870	0.5
351.05115	0.5
353.06757	43.3
354.07050	5.1
355.08170	1.5
356.05533	1.9
365.06799	6.8
366.07053	0.8
379.08276	0.7
383.07809	34.3
384.08188	3.9
389.06686	0.4
395.07761	3.6
396.08328	0.6
397.09409	0.8
407.07837	1.3
413.08911	3.7
414.09332	0.5
425.08911	2.9
443.10019	7.3
444.10199	0.4
455.10172	0.4
473.10953	7.5
474.11166	0.8
485.10931	0.9
503.12155	2.1
504.12811	0.4
545.13177	1.4
563.14185	100.0
564.14514	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	561.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	1.2
56.40372	0.5
57.03325	1.1
58.00489	2.0
59.01265	100.0
60.01609	1.5
61.98722	2.3
69.03353	5.2
69.89568	4.1
71.01272	38.7
72.01621	0.7
72.99207	4.3
73.02832	15.1
75.00765	2.7
81.03355	3.6
83.01279	3.5
83.04935	0.8
85.02842	15.9
87.00774	2.9
89.02338	25.3
93.03371	0.8
94.50945	0.6
95.01296	1.7
96.95908	5.5
96.96896	0.6
97.02866	6.3
98.95518	0.9
99.00786	1.6
99.04432	0.8
101.02346	32.9
102.68354	0.6
103.03913	26.9
113.02377	4.7
115.03985	0.8
119.03420	13.5
121.02873	1.1
125.02368	30.9
126.02769	0.8
127.03973	2.9
128.03549	0.8
131.03433	1.5
134.44795	0.6
135.04497	2.0
137.02444	0.8
143.03479	3.4
145.04991	5.2
151.00348	1.8
161.04555	0.9
163.04002	16.6
163.06114	27.0
178.06319	15.1
193.08675	12.5
194.09001	1.2
205.07246	2.6
245.12523	0.7
245.52426	0.7
247.08249	6.7
285.04211	0.9
289.09467	1.2
306.07797	0.7
307.10388	20.8
308.10764	1.0
381.09879	1.3
543.15521	1.0
561.16394	1.5
561.29468	5.1
562.28949	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	1.7
57.03334	2.0
58.00475	1.0
59.01264	100.0
60.01602	2.0
61.98715	52.1
67.58790	0.8
71.01266	23.3
71.55806	1.2
72.99199	2.7
73.02824	6.4
75.00759	9.6
77.79912	0.9
78.95804	1.2
83.01279	3.6
85.02852	9.8
86.81693	0.9
87.00776	3.2
89.02335	14.8
95.01304	1.7
96.95912	5.6
97.02844	0.9
99.00776	2.4
100.76603	0.8
101.02340	17.2
111.00778	1.0
113.02358	8.9
119.03427	2.8
119.05000	1.4
121.02880	2.7
125.02412	1.5
131.03432	3.1
143.03407	2.9
149.04506	8.6
151.00284	2.0
152.00986	0.9
161.04482	2.5
179.05685	1.0
191.05533	1.7
194.98286	1.7
255.03061	1.2
285.04056	2.3
294.24493	1.2
314.27194	2.6
382.10010	2.0
414.81662	1.0
458.31293	29.7
459.31552	3.7
476.32349	27.8
477.32669	3.9
482.17419	0.9
489.26221	0.9
503.24954	5.5
503.31854	1.9
518.32703	3.8
544.15503	1.8
562.28369	7.6
563.14282	2.1
563.30402	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	561.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.4
59.01271	3.6
69.03351	0.4
69.69437	2.2
70.27408	0.3
70.66697	0.3
71.01271	7.8
72.99207	0.4
73.02846	3.2
75.00776	0.4
80.96409	2.1
81.10552	0.3
83.01287	0.6
85.02839	4.5
87.04406	2.6
89.02345	2.0
94.97990	0.5
95.01267	1.8
96.95915	0.7
99.00797	4.4
101.02352	4.1
105.55687	0.3
105.72334	0.4
108.02081	47.2
109.02888	13.6
113.02351	3.5
121.02871	0.5
123.00804	1.3
123.04444	0.7
125.02351	0.5
131.03423	2.7
133.02873	0.7
135.04459	0.9
143.03410	0.6
149.04631	0.3
151.03975	3.1
152.01091	100.0
153.01738	5.9
153.49364	0.4
159.02986	0.6
161.04488	2.4
161.82404	0.4
163.03960	3.8
164.04413	0.4
164.98608	0.5
175.03998	0.5
177.01888	1.1
179.03459	0.8
188.65720	0.4
207.02972	0.4
225.00754	0.6
236.45796	0.4
271.08377	1.0
315.07233	1.9
403.12418	1.0
429.10391	1.2
447.11539	84.2
448.05688	0.7
448.11835	10.1
508.87695	0.5
543.17999	0.7
561.14526	16.4
562.14838	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	560.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	1.4
57.03342	1.7
58.00492	0.9
59.01263	65.9
60.01604	1.6
61.98719	5.6
69.03337	0.6
71.01269	25.0
71.04899	0.8
71.56904	0.4
72.01620	0.7
72.98843	0.4
72.99181	2.3
73.02836	7.1
74.03191	0.5
75.00751	3.9
75.01062	0.3
78.95792	1.1
83.01280	3.1
85.02845	7.9
86.03178	0.6
87.00780	1.7
87.04453	0.4
89.02338	16.6
90.02669	0.5
95.01280	2.1
96.95911	21.1
96.96888	1.4
97.02887	0.5
97.06504	0.6
97.95843	0.5
98.02383	2.8
98.95502	2.1
99.00775	2.3
99.01862	0.8
101.02347	20.5
102.02671	0.8
109.02921	0.6
111.00782	0.4
113.02352	10.7
113.54952	0.5
115.07555	2.3
119.03419	6.7
123.08080	0.7
125.02370	1.1
125.06012	0.5
127.62354	0.4
129.01860	0.8
131.03397	0.7
141.09161	1.5
143.03473	1.0
149.04501	0.9
151.00317	0.7
156.10216	2.1
158.11813	5.0
159.02980	0.9
161.04509	3.0
163.06087	0.4
163.59845	0.3
171.10280	0.8
177.12805	0.6
178.99838	0.8
179.05582	2.1
179.10771	0.7
193.06570	7.6
195.13933	1.2
195.17479	0.6
209.11769	0.6
222.14938	0.4
249.12668	0.4
255.03130	1.3
283.02591	0.8
284.03403	0.4
285.03925	0.6
320.17084	2.2
325.20349	0.5
357.26498	0.6
381.09930	0.7
384.11194	0.4
398.09790	0.5
399.10849	1.3
399.19882	0.5
462.23495	0.4
482.27579	1.1
500.29901	0.7
501.30884	4.1
519.31940	1.2
522.33710	0.5
542.29822	3.2
543.30341	0.5
560.30975	100.0
561.31238	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	559.3133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94415	1.0
54.37638	1.0
55.01791	1.1
57.03328	4.7
59.01262	33.9
61.98718	5.9
67.67275	0.9
69.03345	1.2
71.01266	11.9
71.04908	7.3
72.99195	1.9
73.02836	3.1
74.91788	0.9
75.00780	4.5
78.95776	2.9
80.02567	2.0
81.03355	2.0
83.01273	1.6
83.04919	7.9
83.23278	1.0
83.60718	0.9
84.02054	1.2
85.02846	4.4
87.00787	1.9
89.02354	4.9
95.04931	2.3
96.95911	4.9
97.02853	4.7
97.06477	4.5
99.00782	21.0
101.02330	5.8
109.06512	2.8
113.02358	4.2
119.03423	1.9
121.56532	1.0
123.08068	3.1
125.09637	12.2
128.49580	1.0
135.04442	1.0
135.08101	1.7
142.02641	1.2
153.12779	2.3
163.11238	23.2
164.11557	1.1
165.12787	3.5
171.10179	2.9
179.10684	2.0
181.12305	43.7
182.12627	1.8
197.11827	2.8
199.13359	14.0
207.10254	35.2
208.10652	3.0
209.11810	79.9
210.12195	6.6
211.13531	1.2
225.11320	68.4
226.11621	4.6
227.12891	14.3
228.13292	1.6
229.65291	1.1
243.12399	39.8
244.12741	2.8
253.09294	1.6
255.03052	1.7
284.03448	2.0
285.03864	2.0
293.21353	2.2
299.15079	7.8
317.16144	26.3
318.16412	2.1
337.23801	2.7
343.86127	1.1
448.15488	1.1
455.26529	4.1
456.26843	1.2
473.27576	8.2
509.27948	6.4
510.27798	1.3
515.28668	30.9
516.29041	4.1
527.28717	100.0
528.29028	16.5
559.31317	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	559.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03314	0.5
59.01261	4.8
59.55871	0.3
61.98722	0.4
63.71190	0.3
63.96119	0.8
65.00211	0.6
69.03334	0.4
71.01268	8.2
71.56908	0.4
72.99175	0.8
73.02830	1.7
75.00750	1.5
78.95796	0.7
78.98478	4.2
79.95620	8.1
79.96095	0.5
80.96407	54.8
81.03358	1.1
82.96007	0.4
83.01295	1.0
83.04935	0.6
85.02837	3.2
87.00768	2.5
89.02345	1.2
94.97983	11.9
96.95912	40.7
97.02847	1.3
99.00798	1.0
101.02345	3.0
103.00289	0.3
106.97999	2.2
107.01334	1.1
113.02350	1.4
115.00273	0.8
119.03412	0.6
122.97489	4.0
125.02378	4.5
127.03931	0.9
134.97516	3.7
136.99068	1.3
137.02347	0.5
140.10538	0.3
141.01875	0.4
148.99072	4.9
149.05843	0.3
151.00327	3.3
152.98557	6.6
152.99651	0.4
162.53189	0.4
164.98578	11.1
165.01906	1.0
165.98997	0.4
167.00168	0.6
167.03381	0.4
173.02443	0.4
174.03143	1.0
175.02461	1.0
178.99937	0.3
182.04253	0.3
182.99605	2.2
187.04018	2.7
188.04471	0.5
188.98633	0.5
206.99683	3.1
209.11797	3.7
210.12170	0.5
213.01862	0.3
225.00746	21.0
226.01016	0.8
243.01802	2.8
245.08385	0.6
254.98187	3.9
255.98502	0.4
260.51807	0.3
285.04056	2.9
299.04535	3.2
309.04077	1.3
310.04449	0.4
317.01541	0.7
337.03476	0.5
339.05200	1.2
339.31052	0.4
397.09116	0.6
425.31699	0.4
461.07611	1.1
479.06680	2.0
480.07281	0.5
501.10614	0.5
527.18134	2.8
559.20886	100.0
560.21149	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	559.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04170	0.2
53.82951	0.2
59.01254	1.0
62.94152	0.2
62.97892	0.2
63.96114	0.8
64.94372	0.2
65.00221	0.2
69.03338	0.4
71.01269	5.0
71.58827	0.4
73.02842	1.2
75.00758	0.4
78.98481	4.4
79.95621	10.1
80.96407	46.8
81.03355	0.7
81.96365	0.2
83.01219	0.3
84.44563	0.2
85.02842	2.2
87.00777	2.1
87.08086	0.2
89.02386	0.2
94.97983	11.2
96.95910	100.0
97.02850	1.1
97.95847	0.5
99.00787	0.5
101.02332	2.4
106.97987	2.6
107.01303	0.4
109.02841	0.3
113.02321	0.3
116.19897	0.2
122.97489	4.5
125.02358	2.5
126.02682	0.3
127.03938	1.0
134.97516	3.6
136.99055	0.9
148.99071	4.6
151.00317	0.9
152.98560	5.2
152.99693	0.4
164.98595	8.1
164.99973	0.4
167.00052	0.4
179.00046	0.3
182.99620	1.9
206.99719	2.2
209.11786	2.7
225.00743	16.6
226.01045	0.7
243.01797	1.6
261.92404	0.2
262.74307	0.3
281.28580	0.2
285.04086	3.3
286.04590	0.3
299.04495	2.5
317.01279	0.7
317.05328	0.4
347.01563	0.2
361.16507	0.3
461.07431	1.4
479.06549	1.8
480.06815	0.6
527.18304	1.9
528.17822	0.3
541.16626	0.3
559.20764	80.7
560.21057	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	559.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39669	0.2
57.03316	0.3
59.01265	8.3
60.01586	0.2
60.52131	0.2
61.98709	1.7
65.00214	0.4
70.65666	0.6
71.01264	3.0
71.04942	0.2
72.99194	0.5
73.02835	0.7
75.00758	2.1
83.01279	0.5
85.02857	1.0
85.03316	0.1
86.29568	0.2
87.00768	0.4
88.22705	0.2
89.02335	3.2
93.03371	0.3
95.01278	0.2
95.07912	0.2
96.95919	3.2
97.06475	0.2
99.00774	0.4
101.02357	1.4
107.01295	0.5
113.02359	1.3
119.03402	0.9
121.02871	100.0
122.03201	3.4
123.04446	0.2
125.02362	0.7
126.02737	0.2
131.03438	0.7
143.03453	0.2
149.04510	1.1
151.00316	1.3
152.00677	0.4
161.04459	0.2
167.03546	0.2
175.02452	0.2
179.05550	0.2
189.36975	0.2
191.03491	0.3
191.05565	0.3
201.09177	0.4
202.09567	0.2
207.01512	0.2
269.04779	0.2
279.06641	0.2
285.04123	0.2
293.08820	1.3
297.04105	0.2
309.04181	0.3
310.04147	0.2
355.10886	0.2
363.09009	0.2
365.09402	0.3
377.14532	2.1
378.15033	0.3
381.09912	1.7
382.10257	1.5
383.10495	3.6
384.11014	0.3
397.09393	0.3
426.40564	0.2
430.44379	0.2
499.18335	0.6
499.29300	0.5
515.28302	0.2
559.14044	1.8
559.28552	0.8
559.31451	0.9
560.15027	0.4
560.28717	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	559.0408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	0.2
71.01255	0.3
71.12886	0.1
75.00769	0.2
79.95627	1.7
85.02846	0.2
95.01270	0.2
96.95914	100.0
97.93057	0.1
97.95860	0.4
99.00746	0.1
103.86910	0.1
107.01305	0.2
113.92576	0.2
125.02359	0.2
133.02927	0.1
139.00352	0.2
142.39601	0.2
151.00323	0.4
225.00630	0.1
229.64697	0.1
285.04111	3.0
286.04465	0.3
301.03650	0.1
461.07462	1.5
462.07721	0.2
559.20728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54180	1.4
57.03314	3.4
59.01259	12.1
61.98713	3.3
63.02282	2.1
65.72486	1.4
68.99440	3.4
69.34389	3.9
69.34779	14.9
71.01273	11.4
72.99211	4.0
73.02828	1.5
75.00758	9.7
75.68320	1.4
79.95633	2.2
83.01282	3.0
85.02842	17.8
87.00779	3.4
89.02341	4.4
95.01292	3.5
96.95910	64.8
98.20582	3.5
99.00787	6.3
101.02336	2.5
103.00278	5.5
107.01307	4.3
109.02851	1.7
112.98470	4.2
113.02364	30.8
115.00295	2.0
117.01852	2.2
117.03375	3.9
125.02358	11.8
129.01897	2.2
133.02884	3.3
137.02414	5.3
139.00322	2.5
149.02344	3.9
151.00305	10.6
152.03403	2.0
153.01888	2.4
162.01863	2.7
164.03464	5.3
165.01913	3.2
169.01353	2.8
175.00267	1.5
175.02463	14.6
177.01930	7.0
178.01384	2.2
178.99817	9.2
179.03462	1.8
181.01373	3.6
191.03578	2.4
193.03445	3.1
194.04610	3.8
204.02902	2.3
218.04593	3.4
221.05702	1.9
225.05638	2.0
232.02505	5.0
247.03583	5.3
248.30643	1.8
257.04532	1.7
269.04590	100.0
270.05029	8.1
271.05658	1.5
281.04688	1.7
285.04099	23.2
286.04483	2.2
297.04150	5.0
301.03778	1.9
324.05197	6.0
325.06256	2.2
338.06866	5.8
342.06223	3.4
355.09503	2.4
356.07825	2.3
365.07809	14.6
383.08908	26.7
384.09021	2.3
418.98175	1.5
421.08929	1.7
434.57788	1.7
445.07825	14.8
446.08047	2.0
461.07306	3.2
541.11218	2.4
559.12244	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	558.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14294	0.7
52.76144	0.7
55.01774	0.8
57.03336	3.5
58.00484	2.0
59.01263	34.8
61.98707	3.5
69.03338	0.8
71.01267	21.5
71.57188	0.9
72.99191	1.9
73.02836	2.7
75.00764	2.0
78.56448	0.7
78.95798	1.1
80.96407	0.9
83.01277	2.6
85.02838	7.9
87.00782	1.7
89.02335	13.4
95.01271	2.0
96.95918	2.7
99.00787	2.5
101.02339	12.0
111.08048	1.2
113.02357	8.0
118.73703	0.7
119.03402	5.0
125.53549	0.5
139.11212	18.1
140.11526	0.7
148.05191	0.7
155.62735	0.6
158.11830	1.5
161.02472	0.8
161.04483	0.8
169.12291	1.3
183.10231	6.2
198.14981	0.9
201.11348	5.3
207.10251	0.9
209.11824	3.9
211.13388	2.1
225.11327	0.9
226.14534	2.2
237.18500	2.9
244.15550	13.8
245.15939	1.5
255.02991	3.6
256.03574	0.7
272.98734	0.6
281.17590	1.5
283.02585	2.5
284.03305	2.8
285.04053	2.1
307.43719	0.7
381.09958	0.9
382.10214	1.1
388.19650	0.9
406.20905	13.6
406.26218	0.7
407.20630	1.0
446.08560	0.8
460.25781	1.9
485.85086	0.8
516.29150	0.8
526.27472	0.6
527.28870	2.7
540.31342	1.6
558.32965	100.0
559.33380	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	558.2937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25494	0.8
57.03331	6.0
59.01264	100.0
60.01584	1.5
60.28379	0.9
61.98713	20.6
65.07008	0.8
69.03349	1.1
69.74652	6.2
71.01270	18.2
71.04908	12.5
72.99197	6.0
73.02844	3.9
75.00762	49.4
76.01090	0.8
83.01276	2.2
83.97975	0.9
85.02846	9.2
86.69527	0.8
87.00788	4.0
89.02350	8.4
91.47317	0.8
95.01302	3.0
96.95915	10.4
97.06475	1.7
98.95473	1.5
99.00764	4.1
101.02353	8.1
103.00274	2.9
107.01312	2.9
109.02864	1.5
109.06510	1.7
111.08055	0.9
111.84418	0.9
113.02354	16.2
113.05981	1.5
113.53632	0.8
114.02730	3.4
114.09161	1.4
116.92766	3.4
117.01837	2.4
117.92747	1.4
119.03415	2.3
125.02348	2.5
125.09653	1.2
131.03432	0.8
135.04424	1.1
137.02431	0.8
139.11226	3.2
143.10712	10.9
151.00313	5.8
153.12750	1.1
161.04501	3.0
167.10736	1.4
171.10246	1.0
172.05293	1.6
175.02452	3.3
181.12323	1.9
185.11806	24.9
191.03485	1.3
199.04010	1.6
199.07541	1.1
199.13371	21.0
200.04710	1.8
200.13768	2.4
201.09384	1.5
201.11293	3.7
202.09428	1.3
207.82440	1.0
209.11800	11.2
210.12234	1.2
210.14842	1.5
215.12897	3.0
217.05186	0.9
217.08736	1.9
221.06725	1.1
222.15009	1.7
224.16606	1.1
225.11290	1.6
227.03540	2.4
228.04149	2.2
228.16118	2.9
240.16057	1.9
242.17636	4.5
243.12344	1.4
253.09230	1.1
255.02982	5.0
256.03384	5.0
278.61642	0.9
283.02579	1.4
283.13440	5.4
284.03116	3.1
284.13815	1.2
285.03864	2.3
287.16513	1.1
296.22412	1.7
298.04834	1.4
301.14584	1.9
309.04031	2.9
310.04587	2.1
311.13419	1.0
325.03369	1.3
325.06833	1.2
327.12408	1.6
353.14020	1.7
354.10956	1.1
358.22400	1.3
363.08795	1.0
364.09244	3.0
369.09787	1.3
371.15067	3.5
381.09961	8.3
382.05362	1.6
382.10211	26.4
383.10602	3.5
384.14215	1.1
397.09125	2.5
397.13815	1.6
410.29190	2.8
422.15073	3.9
422.65668	0.9
447.16788	1.3
454.28214	9.9
455.28540	1.5
472.29245	20.3
473.29611	3.1
514.21106	2.8
514.30261	22.9
515.30743	5.3
521.33301	1.1
522.34088	1.5
523.34888	1.8
531.15271	1.7
547.82068	1.0
558.13751	5.5
558.30615	11.6
559.14215	2.5
559.31396	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	557.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00428	1.0
57.03348	6.1
59.01264	66.7
61.98712	17.4
68.99716	1.3
71.01270	32.8
72.99195	5.6
73.02834	8.4
75.00761	18.9
83.01275	2.9
83.04891	1.6
83.97188	1.3
85.02846	31.0
86.03178	2.2
87.00773	8.5
87.04387	1.3
89.02332	11.3
89.68450	1.2
95.01291	10.2
96.95917	7.6
97.06496	1.5
99.00788	12.0
101.02355	11.7
103.00278	5.2
107.01334	1.3
113.02354	61.2
114.02698	1.7
115.00306	2.6
117.01855	3.4
119.03448	4.4
121.02887	2.4
123.04427	1.1
123.08154	1.2
125.02378	2.0
129.01851	2.4
131.05005	1.1
149.04437	1.3
151.00301	4.8
161.02362	1.9
161.04539	3.0
163.03960	1.7
175.02452	15.8
179.05484	1.3
201.09169	3.1
209.11832	1.4
219.06683	1.5
227.03496	1.8
229.08820	1.6
229.64751	1.4
252.04303	1.3
253.18182	1.2
255.03024	63.0
256.03418	5.3
267.06693	1.3
280.03857	3.1
281.04529	2.6
283.02545	20.8
283.05640	1.6
284.03201	9.2
285.03894	2.5
295.06128	2.6
297.04144	2.0
309.04175	3.9
310.04874	1.5
317.13986	2.0
321.03909	1.5
323.05621	3.3
353.10318	9.2
363.08890	1.5
381.09872	100.0
382.10233	15.7
419.11319	2.5
495.13220	2.6
514.30310	2.6
519.31958	3.8
521.33356	29.8
522.33929	4.1
539.70209	1.3
557.13324	16.0
557.30847	82.7
558.14325	2.2
558.30499	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	557.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	0.6
57.03331	1.6
59.01265	4.9
61.98711	1.2
65.13788	0.5
65.30385	0.5
67.01758	0.5
69.03342	6.6
70.13589	0.4
71.01266	2.7
71.04903	1.9
71.58900	0.5
72.50640	0.4
73.02830	0.6
75.00779	1.1
79.21925	0.4
80.02557	2.0
80.96411	0.5
81.03352	1.7
83.01270	1.8
83.04913	5.3
84.02067	1.8
85.02912	0.4
89.02332	1.0
91.15268	0.5
95.01287	0.9
95.04904	1.5
96.95880	0.5
97.02864	0.6
97.06488	2.0
97.61111	0.4
99.00791	0.9
99.19981	0.5
101.02360	0.4
101.90630	0.5
108.02063	0.5
109.06502	0.5
113.02360	1.1
117.54576	0.4
118.28331	0.4
121.02877	0.5
123.08082	2.1
125.06014	0.6
125.09643	3.9
135.04485	0.6
135.08105	1.0
136.99013	0.5
137.09677	0.5
149.09697	0.7
151.11217	4.8
153.12755	1.4
161.08423	0.8
161.09660	6.8
163.11229	4.6
164.11589	0.4
165.12729	2.2
179.10738	18.2
180.11055	1.3
181.12292	0.8
185.11792	1.1
191.10690	1.4
191.14374	0.6
197.11801	70.7
198.12126	4.2
207.10214	0.8
209.11804	58.0
210.12138	3.8
223.09784	2.7
225.11339	1.3
227.12872	5.4
228.13260	0.5
241.10840	9.3
253.09378	1.1
255.03021	0.8
289.18048	0.7
297.13510	3.6
315.14511	10.1
321.20779	1.8
381.09851	1.0
405.19824	0.5
463.27042	0.9
507.26093	1.8
525.27130	100.0
526.27515	15.6
557.21606	0.8
557.29803	7.4
558.29932	1.6
570.78094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40275	0.8
51.03797	0.8
57.03334	3.7
59.01264	32.0
61.98721	5.8
63.02267	1.1
65.00202	5.1
69.52967	1.8
69.53370	5.2
71.01270	15.4
71.04924	2.0
72.99203	3.6
73.02841	3.6
75.00762	14.1
81.03410	0.9
83.01302	3.3
85.02843	17.5
87.00772	4.4
89.02352	4.9
95.01289	5.9
96.95914	6.8
99.00790	7.9
100.85822	0.8
101.02314	4.3
103.00285	2.7
107.01299	5.9
108.02095	0.8
109.06509	0.9
111.00788	1.0
111.95905	0.8
113.02354	30.3
114.02712	1.1
115.00277	1.8
116.92815	1.1
117.01867	2.1
119.03414	0.9
125.02349	6.5
129.01865	1.2
135.04469	0.9
135.26247	1.0
135.62607	0.9
143.10722	1.2
151.00304	19.6
152.00909	1.0
161.02443	1.2
167.03452	1.5
169.01485	1.0
172.05319	2.2
175.02449	8.7
185.06125	0.8
185.11887	3.4
191.03473	1.2
199.07759	0.8
199.13463	2.3
201.09212	13.1
201.11143	1.8
207.10239	0.9
209.11899	3.0
219.06795	1.0
222.82652	0.8
227.03581	1.1
229.08728	10.0
230.09047	0.9
247.86075	0.8
249.53685	0.9
251.07466	0.9
255.03160	16.2
255.06726	2.7
256.03531	2.5
266.69632	0.9
269.04916	1.1
279.06744	2.2
281.04788	1.7
283.02615	6.8
283.13577	2.1
284.03122	4.6
285.04074	1.6
293.16751	2.0
295.06342	1.2
297.04178	2.0
298.04956	1.3
308.03485	2.2
309.04065	8.1
320.03363	3.9
323.05499	4.0
324.06491	1.9
335.09448	1.5
336.09735	1.0
337.07339	2.0
338.04517	1.6
338.08249	1.3
349.20837	1.0
351.09076	3.5
352.09500	1.2
353.10284	3.9
353.14413	1.1
363.08804	15.0
363.12982	1.0
364.09338	2.2
371.15109	1.2
373.96558	1.0
381.09866	100.0
382.10239	15.6
395.11792	1.1
396.75266	0.8
419.11462	1.2
454.28519	1.4
472.29581	3.6
514.30200	7.0
521.33417	10.3
522.34113	1.3
525.60730	1.0
557.13184	19.9
557.31189	41.2
558.13867	3.6
558.31604	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	557.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03519	0.2
57.03337	0.5
59.01265	7.4
61.98716	1.8
63.02291	0.5
65.00220	1.0
66.91267	0.2
69.01686	0.2
69.43964	0.1
70.92622	0.3
70.92965	0.2
71.01263	3.1
72.99189	0.5
73.02836	0.4
75.00772	1.3
78.95802	0.2
79.95626	2.8
80.52211	0.2
81.03341	0.3
82.29939	0.2
82.90037	0.2
83.01263	0.8
85.02837	2.0
87.00773	0.6
89.02335	0.9
92.55695	0.2
95.01292	0.6
96.95911	100.0
97.95822	0.4
98.20474	0.2
99.00768	0.9
101.02370	1.0
103.00272	0.2
107.01295	1.5
113.02355	3.3
114.79587	0.2
115.00292	0.2
119.03426	0.3
123.00691	0.1
123.04433	0.3
124.01572	0.3
125.02357	1.5
127.41471	0.2
151.00305	4.5
161.02438	0.2
161.04495	0.7
165.01869	0.2
167.03418	0.5
172.05357	0.2
175.02446	1.1
175.03758	0.2
185.06123	0.2
186.06766	0.5
187.07669	0.2
201.09187	1.0
211.07663	0.7
213.05556	0.2
229.08669	1.5
240.04132	0.2
253.08696	0.4
255.06703	1.5
277.08710	0.3
279.06714	0.4
308.03226	0.3
309.04077	1.6
323.05679	0.2
337.07004	0.9
353.10291	0.2
363.08749	1.6
377.19971	0.2
381.09863	19.9
382.10205	2.8
395.11465	0.2
497.27618	0.3
555.06390	0.2
557.13983	4.0
557.26416	51.3
558.14392	0.7
558.26746	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	557.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.4
58.00484	0.8
59.01262	53.5
60.01604	0.7
61.98717	1.4
63.02280	1.3
65.00214	1.3
67.01790	0.5
68.99710	0.8
69.03336	0.4
69.61007	2.5
71.01268	16.2
72.99207	2.6
73.02832	6.8
73.64861	0.3
75.00758	7.0
81.03374	0.3
81.98553	0.3
83.01273	3.0
83.04910	0.7
84.02044	0.5
85.02840	16.9
87.00771	3.0
87.04417	0.4
89.02339	4.3
90.44646	0.4
95.01282	4.9
96.95926	1.2
97.02834	0.4
98.20528	0.6
99.00770	6.8
101.02345	5.6
103.00249	2.6
107.01283	2.2
109.06457	0.3
111.00806	0.7
111.04465	0.4
113.02353	29.4
114.02697	0.7
115.00278	1.5
117.01865	1.8
119.03439	0.8
125.02364	1.0
127.03957	0.4
129.01875	1.5
130.94832	0.4
131.03406	0.6
132.02127	0.4
133.02824	1.6
134.03658	0.9
135.04448	2.2
136.01517	0.4
139.00328	0.6
141.09261	0.4
143.03430	0.4
148.01639	0.5
148.05243	0.8
149.02309	0.4
149.04478	0.5
149.99448	0.4
151.00319	4.1
157.01393	0.6
161.02348	0.4
161.04498	0.6
175.02434	7.3
175.03860	0.5
183.04474	0.4
188.04691	0.4
191.03371	0.9
192.04109	0.6
199.03812	0.5
200.04707	0.5
201.09125	0.6
209.11812	1.5
211.04054	0.9
211.13354	0.7
212.04614	0.4
227.03493	1.7
228.04086	0.5
240.04250	0.8
247.07907	0.6
255.03014	19.0
256.03741	8.0
268.03818	1.6
269.04437	0.8
283.02509	10.5
283.05630	0.7
284.03302	100.0
285.03897	21.1
286.04434	1.2
290.72412	0.4
291.19604	1.6
292.08246	0.4
297.04083	13.1
298.04544	2.5
309.03995	0.9
313.03607	1.4
323.05780	1.6
324.06317	0.4
326.04468	0.5
327.05243	1.7
333.18524	0.3
335.09244	0.5
335.22299	0.4
339.05084	0.9
353.10330	0.9
355.04654	0.4
357.06015	0.4
381.09860	42.7
382.10181	5.8
399.07306	4.3
400.07510	0.6
415.06726	0.6
416.07611	0.7
453.25287	0.8
453.31744	0.8
459.05591	1.2
460.06555	13.2
461.07013	2.4
471.25958	1.3
479.30127	0.5
495.26035	1.5
496.25742	0.5
513.27100	32.6
514.27380	6.1
557.13074	4.5
557.29584	1.4
558.13184	0.8
558.20532	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	557.2616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01776	0.5
58.00471	1.2
59.01265	74.8
60.01598	0.8
61.98717	3.4
63.02292	0.9
65.00191	0.7
66.52754	0.5
68.13941	0.6
69.03355	0.6
71.01270	20.1
71.56515	0.7
72.99207	3.5
73.02834	8.8
74.48206	0.5
75.00759	7.7
80.96387	0.9
83.01276	4.5
83.04923	0.8
84.10181	0.6
85.02847	14.5
85.03366	0.9
85.88593	0.5
87.00768	3.5
89.02345	6.3
95.01293	4.0
96.95931	2.9
97.02884	1.0
99.00784	7.2
99.04424	0.7
101.02347	10.1
103.00275	1.9
107.01301	1.6
108.02097	0.6
109.02831	0.6
113.02358	28.9
114.02707	1.1
117.01850	2.0
119.03415	0.9
121.02837	0.6
123.04452	0.7
123.08009	0.6
125.02354	0.8
129.01833	1.3
130.05678	0.5
131.03459	0.8
133.02911	1.6
134.03674	1.0
135.04434	2.6
137.02368	1.2
139.00291	0.6
143.03459	0.7
145.02931	0.8
147.04431	1.2
148.05211	0.9
149.99501	0.6
151.00328	2.2
161.02415	0.9
161.04523	1.2
171.10178	0.7
175.02469	6.9
187.03929	0.7
191.03464	1.5
192.04240	1.8
199.04031	0.8
200.04701	0.6
207.10251	1.2
209.11754	1.6
211.04047	1.0
211.13353	1.9
225.11327	0.9
227.03500	1.3
240.04349	0.7
241.05087	0.6
255.03027	14.3
256.03738	7.0
268.03751	2.1
269.04660	1.1
283.02530	11.2
284.03317	100.0
285.03909	19.4
286.04367	1.2
291.19815	2.2
297.04102	13.2
298.04623	1.9
313.03500	2.2
323.05545	1.3
324.06464	0.8
327.05066	1.8
335.22153	1.1
339.04910	1.0
353.10379	1.3
381.09872	37.2
382.10199	6.1
399.07196	5.2
429.38403	0.7
453.25085	0.9
453.32355	1.0
459.05655	1.3
460.06512	13.7
461.07040	1.6
471.26242	2.7
479.30099	0.6
490.36017	0.6
495.26425	2.6
497.23926	0.8
513.27155	53.8
514.27423	5.9
521.73407	0.7
557.12640	3.4
557.27612	0.7
557.33325	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.5
57.03325	0.8
59.01264	12.4
61.98714	4.2
63.02283	0.7
65.00204	0.6
71.01269	8.9
71.56689	0.9
72.99195	1.6
73.02835	1.6
75.00761	4.8
83.01259	1.1
85.02838	7.2
86.12339	0.4
87.00774	2.4
89.02332	2.4
95.01288	1.4
96.95910	1.8
99.00775	2.8
101.02342	2.1
103.00298	1.0
107.01312	2.0
113.02360	9.2
115.00304	0.7
117.01847	0.7
119.03426	0.8
123.04381	0.6
125.02388	0.8
129.01840	0.5
131.03412	0.4
135.04436	0.5
146.03734	0.5
149.02368	0.9
151.00301	4.2
161.02409	0.4
161.04529	0.6
171.10170	0.8
172.05266	0.5
175.02431	2.1
201.09196	4.1
209.11818	0.9
227.03423	0.8
228.04181	0.4
231.85352	0.5
240.04163	0.7
243.10315	0.7
253.04944	0.6
255.03059	4.0
256.03445	0.5
267.06778	0.4
268.03699	0.6
270.05362	1.1
281.04700	0.6
282.05435	2.2
283.02612	3.3
284.03448	2.4
295.06061	0.8
296.06702	0.9
297.04178	2.2
298.04843	4.5
299.05325	0.6
309.04117	9.8
310.04907	6.8
311.05579	0.9
317.14096	0.7
323.05707	6.4
324.02762	3.1
324.06470	9.7
325.07001	1.4
330.03931	1.4
337.07263	5.2
338.07813	1.1
352.09549	1.9
353.10376	59.0
354.06772	0.6
354.10770	6.9
363.08865	0.7
381.09875	100.0
382.10242	11.6
423.10992	1.9
453.12100	1.4
519.31921	1.5
521.33368	5.8
522.33630	0.6
556.29913	1.1
557.13135	48.8
557.30603	20.0
558.13434	9.3
558.30127	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	557.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.9
57.03338	2.9
57.65932	0.5
58.00454	0.5
59.01261	12.5
63.02265	1.0
65.00221	0.7
67.01752	0.7
68.99686	0.8
71.01265	10.5
71.44008	1.4
72.99190	2.0
73.02813	1.7
75.00771	4.6
80.39133	0.6
83.01280	1.5
85.02842	23.0
86.03169	0.5
87.00770	3.2
89.02319	1.8
95.01289	6.6
99.00779	7.2
101.02342	1.3
103.00269	3.8
104.89247	0.5
107.01285	1.3
113.02356	45.5
114.02673	1.5
115.00266	1.9
117.01881	2.5
129.01849	1.7
133.02892	1.2
134.03651	0.6
137.20868	0.5
139.00256	0.5
151.00288	3.0
157.01384	0.8
175.02425	11.7
175.03923	0.8
176.02745	0.5
183.04398	0.8
185.02367	0.6
187.03926	0.6
192.04208	0.5
211.03955	0.7
227.03452	2.2
239.03528	0.9
240.04381	0.7
255.03017	58.0
256.03699	13.0
257.04214	0.8
268.03784	1.4
269.04477	1.3
283.02536	31.4
284.03302	100.0
285.03940	18.5
286.04483	1.1
297.04102	12.9
298.04544	1.8
313.03574	2.0
327.05112	1.7
339.05222	1.2
381.09863	77.4
382.10248	9.9
399.07294	5.6
415.06952	0.8
416.07635	1.1
459.05759	5.7
460.06528	13.4
461.06628	1.3
557.13116	8.9
557.29700	1.1
558.13708	1.7
584.22815	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
57.03337	2.0
58.00463	0.2
59.01263	9.0
61.98705	1.5
63.02284	2.5
65.00208	9.0
66.00552	0.2
67.01771	0.3
68.99697	0.3
70.33116	0.2
71.01269	7.1
71.01662	0.3
71.04922	0.2
72.52088	0.2
72.53265	0.2
72.99193	0.9
73.02835	1.1
75.00769	3.0
81.03345	0.5
83.01271	4.8
85.02843	6.7
87.00759	2.0
89.02337	1.5
95.01281	1.9
96.95911	2.3
99.00778	3.3
101.02339	1.1
103.00264	1.2
107.01294	12.5
108.01577	0.2
108.99179	0.2
109.02859	0.3
111.00754	0.2
113.02356	11.0
114.02691	0.4
115.00299	1.1
117.01849	0.8
123.04443	1.2
124.01556	0.6
125.02366	11.4
126.02760	0.3
129.01865	0.7
132.30836	0.2
137.02335	0.2
146.03615	0.3
149.02365	0.4
151.00307	31.5
152.00583	1.3
157.01352	0.2
158.03578	0.3
159.04437	0.4
161.02390	0.8
161.04579	0.3
165.01889	0.6
167.03429	1.6
169.01378	1.1
172.05272	3.7
173.05927	0.4
174.03195	1.0
175.02446	4.0
175.03918	0.5
179.05438	0.3
183.08134	0.3
185.06020	0.6
186.03191	0.5
186.06821	0.6
187.03969	0.6
198.03191	0.4
199.03836	0.2
199.07693	0.4
200.04764	1.0
200.08466	0.3
201.09186	31.9
202.09525	2.2
209.06105	0.4
210.06673	0.3
211.04085	0.5
211.07758	0.3
212.04723	0.5
213.05667	0.2
223.07623	0.6
225.05595	0.4
225.09186	0.6
227.03569	0.3
227.07108	1.6
228.04337	0.4
228.07368	0.2
229.08710	18.3
230.09065	1.2
237.05525	0.3
240.04280	0.6
243.02841	0.3
243.10359	0.3
244.03737	0.2
249.09286	0.7
251.03369	0.3
251.07143	2.3
252.07611	0.3
253.08688	0.6
255.03033	1.8
255.06653	3.2
256.03864	0.3
264.04370	0.2
265.04874	0.3
265.08496	0.3
267.03101	0.3
276.07983	0.2
277.05444	0.3
277.08691	0.6
279.06674	4.2
280.06967	0.6
281.04648	0.7
283.02512	0.9
284.03391	1.3
291.03131	0.3
292.03815	0.9
293.04755	0.4
293.08246	0.5
295.02490	0.9
296.03290	0.5
297.04019	0.8
298.04913	0.5
301.05865	0.5
307.02582	0.5
308.03299	3.8
309.04080	8.0
310.04599	1.1
319.02612	1.9
319.09845	0.4
320.03314	6.9
320.07043	0.4
321.03845	0.9
322.04810	0.6
323.02158	0.5
323.05487	0.5
324.02863	1.6
324.06299	0.4
334.08636	0.6
335.09338	2.8
336.09567	0.4
337.03662	1.3
337.07010	0.3
338.04379	4.4
339.04764	0.4
351.08810	6.9
352.05246	0.3
352.09174	0.9
353.10376	6.3
354.10843	0.6
363.08820	21.3
364.09158	2.3
381.09866	100.0
382.10217	12.7
382.14072	0.2
405.09528	0.2
414.31238	0.2
423.11218	0.5
521.33289	0.9
539.12347	0.6
557.13092	25.6
557.31287	4.6
558.13464	4.5
558.30389	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	555.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	1.4
59.01266	31.5
61.98721	5.7
70.43841	1.2
70.44216	2.5
71.01271	15.8
72.01588	0.8
72.99196	2.3
73.02834	4.7
75.00748	7.1
78.95800	1.5
83.01288	1.3
83.04938	1.1
85.02845	4.2
87.00792	4.5
88.98692	1.1
89.02328	10.9
95.01298	1.7
96.95890	3.6
97.02839	1.0
99.00774	1.3
101.02334	8.5
109.83725	0.8
111.04459	0.9
113.02345	7.3
119.03405	3.3
120.57832	0.9
125.02332	1.2
129.01880	0.9
131.03424	2.7
135.04456	0.9
149.04492	5.6
161.02441	2.4
161.04445	1.4
175.02415	0.8
189.08971	1.0
191.05582	1.1
198.96712	1.1
205.23872	0.8
224.38651	0.8
237.03940	1.1
254.98257	1.2
333.20786	6.7
351.08810	1.1
357.26678	2.5
379.08328	4.7
393.06036	0.9
393.26578	1.3
436.34540	0.9
463.22250	1.5
519.23920	1.4
519.31848	47.5
520.32098	7.6
555.29474	100.0
556.22198	1.6
556.29919	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	557.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.3
57.53593	0.3
59.01259	3.6
61.98714	0.7
63.02275	1.1
65.00210	3.5
67.01756	0.2
71.01263	4.3
71.11312	0.5
72.99195	0.4
73.02834	0.7
75.00765	1.5
83.01279	2.6
84.02032	0.3
85.02833	4.6
85.67308	0.2
87.00769	1.4
89.02335	0.7
95.01270	1.2
96.95911	2.5
99.00758	1.8
101.02332	0.3
103.00256	0.6
107.01289	5.6
108.02109	0.3
111.00752	0.3
113.02356	5.2
115.00256	0.5
117.01857	0.8
123.04425	1.0
124.01586	1.0
125.02362	8.8
129.01868	0.3
130.02931	0.2
137.02370	0.4
139.38611	0.2
149.02324	0.4
150.03166	0.5
151.00299	19.6
152.00668	0.7
159.04408	0.3
161.02377	2.8
163.00197	0.4
164.00996	0.3
165.01895	1.2
165.05553	0.3
167.03427	2.2
169.01430	0.5
172.05228	2.2
173.06041	0.4
175.02429	1.8
175.03979	1.4
176.04582	0.4
177.01956	0.2
183.04559	0.4
185.06032	1.1
186.06799	0.9
187.03952	1.0
187.07542	0.7
188.04739	0.5
196.05238	0.7
197.05951	0.4
198.03241	0.7
199.03975	0.6
200.04741	1.8
200.08371	0.4
201.09201	2.7
203.03493	0.3
209.06172	0.3
210.06906	0.5
211.03964	0.4
211.07568	1.5
212.04919	0.3
212.08144	0.3
213.05579	0.8
214.02724	0.3
214.06360	0.8
215.03421	0.6
215.07140	0.5
223.07425	0.3
224.04736	1.7
225.05376	0.3
225.09222	0.8
226.02722	0.8
227.03503	0.9
227.07138	1.1
229.08691	6.1
230.08984	0.6
236.04884	0.3
237.05573	0.3
238.06303	0.7
240.04185	1.6
241.05029	0.5
242.06020	0.4
243.03069	0.3
248.04742	0.4
249.05618	0.7
249.09334	0.3
251.07240	0.4
252.08014	0.4
253.05115	0.9
253.08699	1.7
254.05748	0.4
255.06683	5.9
256.07108	0.4
262.06424	0.4
263.03738	0.4
264.04214	1.0
265.05029	0.9
266.05994	1.2
267.06430	0.3
269.08359	0.3
271.09805	0.5
277.05051	0.7
277.08759	0.6
278.05869	0.5
279.06500	1.2
281.04492	0.5
283.02731	0.3
283.06192	0.3
284.03256	0.4
290.05911	0.4
293.08218	0.6
295.06665	0.4
295.09708	2.1
296.03412	0.3
296.09927	0.4
305.04514	0.8
306.05374	1.1
307.06100	0.9
308.03302	1.0
308.06610	0.4
309.04065	7.3
309.07425	0.3
310.04425	0.6
313.10727	0.6
319.09845	0.4
322.04703	0.6
323.05573	2.0
324.06000	0.6
333.04092	0.5
334.04910	2.1
335.05579	0.4
335.09183	0.4
337.07220	8.9
338.07617	1.2
351.05118	1.0
352.05783	1.0
363.08768	3.0
364.09155	0.3
366.04123	0.3
381.09863	100.0
382.10193	13.0
423.10791	1.4
451.09995	0.3
453.11819	0.8
462.93088	0.3
557.13110	18.9
557.26520	0.8
558.13507	3.4
578.31537	0.2
584.78027	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2857
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
50.67484	0.3
59.01282	0.8
61.98732	0.4
63.96127	1.2
66.52523	0.3
69.03344	0.5
71.01270	7.2
71.01657	0.4
71.11503	0.7
71.11857	0.4
72.99200	0.4
73.02827	1.6
78.98483	5.5
79.95631	9.5
80.96411	66.1
81.03333	0.9
81.96314	0.4
83.55639	0.3
85.02857	2.4
87.00766	2.4
94.97987	13.8
95.01274	0.4
96.95924	1.3
97.02856	1.5
99.00791	0.8
101.02350	2.1
106.97985	2.5
113.02337	0.4
119.47642	0.3
121.43335	0.3
122.97513	3.3
125.02364	2.8
127.03925	0.9
134.97537	4.3
136.99059	1.4
148.97957	0.4
148.99092	5.6
152.98593	5.8
164.20171	0.4
164.98582	13.0
206.99672	2.7
225.00755	16.5
226.00972	0.6
255.23412	2.8
264.16583	0.3
299.04422	3.1
352.23343	0.4
401.95297	0.4
555.28540	100.0
556.28900	16.3
556.37555	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31754	0.5
55.01785	0.5
57.03318	1.0
59.01269	6.7
71.01266	26.6
71.36066	1.2
72.99207	0.9
73.02835	1.2
75.00755	1.2
76.41209	0.5
79.95623	6.4
80.96404	20.0
83.01266	0.8
85.02833	7.0
87.00772	3.4
95.01291	1.6
96.95281	1.1
96.95911	18.5
99.00734	0.7
103.00258	3.7
106.87082	0.5
109.00358	0.9
113.02356	11.4
115.00289	18.7
116.00643	0.6
122.97453	0.6
138.97015	5.4
151.00331	1.1
157.01349	2.3
165.82292	0.6
166.96516	3.1
174.97035	0.6
175.02438	28.9
176.02722	1.1
192.98093	6.7
210.99168	0.9
219.49559	0.6
236.97148	1.1
254.98192	100.0
255.98575	3.7
257.53522	0.6
269.04614	4.3
272.41589	0.5
284.03357	0.7
285.04013	1.1
311.45847	0.5
379.09561	0.8
445.08261	0.7
491.57556	0.7
554.32697	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	554.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	23.2
59.16586	0.1
60.01604	0.2
60.73260	0.1
61.98717	0.7
70.86532	0.4
70.86868	0.3
77.98465	0.1
78.95792	18.1
103.66070	0.1
104.97372	0.2
114.52010	0.1
122.98469	0.5
152.99519	3.1
168.04253	2.8
194.05916	0.2
219.87593	0.1
224.06938	7.4
225.07353	0.3
242.07991	2.0
255.23318	100.0
256.23672	9.4
391.22601	0.3
480.31036	66.6
481.31363	8.6
495.27167	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60634	0.5
51.78281	0.6
57.03315	1.5
58.00478	0.9
59.01263	20.8
60.01606	0.5
61.98721	1.4
69.88470	1.2
69.88866	2.9
70.48607	0.8
71.01266	8.8
72.99194	4.5
73.02834	3.1
75.00759	93.9
76.01105	1.4
83.01280	1.8
85.02830	4.3
87.00756	0.9
88.98680	0.9
89.02335	5.7
90.10401	0.5
95.01272	0.8
96.95901	4.3
97.06494	0.8
98.19829	0.7
99.00780	2.4
101.02340	8.1
108.02040	0.9
109.02846	1.5
111.00742	1.1
113.02332	4.7
115.70053	0.6
119.03413	1.6
121.76820	0.7
125.02338	1.4
137.09653	0.7
150.03127	1.1
153.01868	1.0
153.09113	0.9
161.02345	0.8
161.04514	1.6
165.05420	0.8
197.06100	0.8
217.31476	0.6
243.06778	0.9
244.07013	0.9
245.07085	0.7
258.95526	0.6
269.04843	0.8
285.03824	0.8
331.24768	0.9
373.19519	0.6
373.25940	1.2
391.26956	1.5
445.12531	1.3
481.73672	0.6
493.30753	3.0
494.29999	0.7
553.32312	100.0
554.32635	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	551.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00992	0.9
59.01265	11.4
71.01271	3.1
72.99193	0.6
73.02827	0.7
89.02317	2.8
101.02336	2.3
113.02337	1.9
119.03426	0.8
161.04535	1.2
186.26741	0.6
235.08298	2.5
249.96156	0.6
253.09346	12.6
254.09685	0.9
255.23325	100.0
256.23685	8.9
447.58878	0.5
465.97723	0.6
491.32758	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	553.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02859	7.0
59.01257	4.0
61.98713	2.1
63.68060	0.9
69.39262	8.7
70.02859	1.0
72.97417	1.3
74.00600	1.0
74.02354	6.5
75.00772	1.3
78.95793	3.9
80.04911	1.0
82.02874	1.7
83.01278	2.3
85.02884	1.2
85.03971	1.1
86.06014	0.9
87.05535	1.1
88.89371	0.9
94.80442	0.9
96.04459	6.3
96.95884	1.1
97.03967	6.7
98.02387	3.6
99.05531	10.0
100.00291	4.2
101.02316	2.0
108.03828	0.9
108.04456	5.8
109.03990	1.4
110.02406	1.5
112.03958	8.0
112.07595	6.2
113.03481	3.1
122.06019	3.5
124.03977	7.6
125.03487	2.7
125.04755	2.5
126.05536	1.6
127.05038	9.7
137.07127	3.5
138.05553	1.3
140.07092	12.7
143.04514	1.8
150.04245	1.2
152.03461	3.2
152.99548	1.4
155.08195	19.0
158.02751	2.1
165.06645	14.5
166.05028	2.1
171.10254	0.9
181.06151	2.2
183.07724	38.0
184.07915	1.0
201.11310	0.9
209.05670	2.2
209.11731	2.2
225.05225	2.6
227.06731	100.0
228.07007	5.4
238.17795	1.0
256.11346	1.4
291.19629	2.1
307.19067	1.5
325.18338	4.6
476.56436	1.0
528.85962	0.9
552.71729	1.5
553.25989	17.1
554.26013	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	551.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46524	0.3
55.01772	0.6
57.03340	0.5
58.00458	0.4
59.01264	12.5
61.98724	0.6
64.32774	0.3
69.03313	0.3
71.01273	6.0
71.56868	0.3
72.99190	3.4
73.02835	3.7
75.00763	100.0
76.01112	1.0
83.01274	1.8
83.04901	0.3
85.02839	2.8
87.00774	0.8
87.04402	0.3
89.02341	2.5
95.01272	0.4
96.95893	0.3
97.02840	0.5
97.06470	0.3
99.00794	1.2
101.02343	7.7
103.03912	0.8
112.08231	0.3
113.02357	2.2
119.03423	0.9
125.02374	0.7
131.03467	0.6
143.03419	0.7
159.02907	0.5
161.04483	1.9
163.06102	2.0
164.85699	0.3
165.12802	0.7
197.11838	0.4
205.07088	0.5
244.58434	0.3
265.09225	0.5
277.21912	0.3
329.23367	0.8
345.19247	2.4
346.19516	0.5
371.24744	0.4
389.25586	2.0
465.27142	0.6
491.25015	9.9
492.24951	1.5
507.27911	1.7
551.30835	76.6
552.22589	0.6
552.31177	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	551.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27108	0.3
55.01756	0.8
57.03327	1.4
57.72859	0.3
58.00468	0.9
59.01263	19.5
60.17807	0.3
69.03346	0.3
71.01273	10.8
71.01670	0.7
71.11878	0.3
71.33441	0.6
72.99188	1.0
73.02834	3.1
75.00755	2.5
76.28232	0.3
83.01280	2.0
85.02834	4.5
87.00777	1.4
89.02336	5.6
95.01277	0.5
97.06521	0.6
99.00774	1.1
101.02341	8.4
102.02653	0.3
111.00818	0.3
113.02353	4.0
113.09598	0.4
119.03439	2.1
123.08041	1.0
125.09663	0.4
127.11184	0.4
137.09610	0.7
141.09152	0.7
147.26505	0.3
155.10654	0.9
161.04506	0.5
169.12309	0.6
182.17729	0.3
184.11101	0.5
187.13354	0.9
216.13722	0.4
241.33788	0.3
293.21317	0.6
307.22910	0.4
325.24030	0.5
343.24939	1.6
348.40942	0.4
371.24319	1.2
389.25568	4.5
390.25885	0.8
473.27863	0.4
477.27356	0.3
533.29675	0.7
551.30835	100.0
552.31177	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	551.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.1
57.03326	1.7
58.00491	1.7
58.01512	0.3
59.01263	35.9
60.01587	0.5
61.98706	0.5
62.63674	0.4
69.03352	0.5
69.47909	1.1
69.48332	2.1
71.01267	11.3
71.67744	0.4
72.99206	2.2
73.02836	5.1
75.00760	26.6
75.13348	0.4
79.58724	0.4
80.97010	0.4
83.01277	2.4
85.02842	5.4
87.00756	1.1
87.04402	2.3
88.98700	0.4
89.02324	4.7
95.01272	1.0
96.95906	0.7
97.06487	0.6
99.00773	1.1
101.02343	8.8
102.02643	0.4
109.06479	1.1
111.00806	0.5
113.02359	4.4
113.05989	0.5
119.03381	1.8
123.08060	1.1
125.09635	6.0
127.11209	1.1
135.08104	1.1
137.09641	0.6
139.07559	0.4
139.11224	0.4
141.09113	0.4
153.09145	3.5
155.10776	0.8
159.02959	0.9
161.04512	1.5
163.30353	0.3
171.10213	10.8
183.10332	0.5
187.13359	0.6
201.11301	42.2
202.11604	2.5
217.14481	0.9
231.12393	3.0
237.06161	0.7
290.27930	0.4
319.17484	0.6
349.18689	0.6
353.23578	0.7
371.24457	3.4
379.19724	3.3
389.25723	2.1
437.25665	1.0
507.28384	0.8
533.29797	17.4
534.30212	3.5
551.30811	100.0
552.31134	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	551.2724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.7
56.27736	0.4
57.03336	1.7
58.00487	0.7
59.01264	23.8
61.98713	1.4
69.03346	1.0
70.21305	0.3
71.01268	14.8
71.59189	0.5
72.99191	4.3
73.02838	7.3
73.03238	0.4
75.00763	100.0
76.01095	1.1
83.01270	3.9
83.04930	0.8
85.02844	7.4
87.00776	1.8
87.04417	0.7
89.02341	6.7
89.02847	0.6
95.01286	1.6
96.80164	0.3
96.95918	0.6
97.02841	0.8
97.06478	0.4
99.00790	2.2
101.02345	14.5
102.02641	0.5
103.03916	1.4
111.00806	0.6
113.02352	5.2
119.03429	1.9
125.02364	1.5
129.01868	0.5
131.03430	1.1
143.03445	1.3
145.05014	0.5
149.04489	0.8
153.12781	1.5
159.02928	0.6
161.04498	3.0
163.06070	4.0
165.12781	1.2
183.13933	0.5
197.11810	1.9
205.07179	1.2
229.07240	0.4
247.08253	1.0
262.68903	0.4
265.09296	0.8
307.10419	0.7
325.11691	0.4
329.23471	2.8
345.19235	5.1
346.19427	0.7
371.24411	1.0
389.09470	0.4
389.25601	4.5
390.26086	0.5
447.26276	0.5
465.26849	0.9
491.25024	28.6
492.25192	3.5
507.28192	3.3
509.28415	0.6
551.30780	85.5
552.31110	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	551.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.9
58.00483	0.4
59.01264	18.0
60.01602	0.3
60.99170	0.2
61.98711	0.6
65.00208	0.5
65.03849	2.9
67.01772	1.3
69.75613	1.3
71.01273	4.9
71.04912	0.5
72.99199	2.1
73.02835	1.9
75.00765	31.8
81.03374	0.3
83.01293	0.5
83.04916	0.4
85.02842	2.1
87.00779	0.6
87.04422	0.5
88.98685	0.3
89.02332	2.8
91.01792	19.9
92.02106	0.6
93.03323	0.2
95.01331	0.3
95.04942	0.3
96.95881	0.6
97.06470	0.6
99.00796	0.7
99.04386	0.4
101.02343	3.5
103.03909	0.3
106.01592	0.2
108.02074	0.4
109.02860	24.2
109.06468	1.2
110.03204	0.8
113.02348	1.8
119.03413	0.9
121.02883	0.3
123.08080	0.6
125.02386	0.3
125.09647	0.4
126.54951	0.2
135.00809	71.3
135.08080	0.4
136.01144	2.9
137.02350	0.3
137.09601	0.3
139.05916	0.2
145.05028	0.4
149.02367	0.3
152.01128	0.4
153.01875	100.0
153.09128	2.1
154.02220	3.8
159.02948	0.2
161.02365	0.4
161.04503	0.5
163.06018	0.4
171.10214	3.4
175.04091	0.3
177.01886	0.3
179.05588	0.3
183.21758	0.2
185.11789	0.7
192.02878	0.3
201.11290	0.5
206.10298	0.2
215.12932	0.6
217.14442	0.5
231.12387	5.3
237.18723	0.3
243.06638	4.3
244.07150	0.4
255.19783	0.2
297.05826	0.2
300.22430	0.2
301.20197	1.9
302.20886	0.3
319.17560	0.4
329.23233	0.4
356.11160	0.6
360.21768	0.2
371.24487	2.3
379.19806	2.3
383.51422	0.3
389.25543	7.2
390.25821	0.6
443.12070	5.3
444.12222	0.5
445.17355	0.2
462.90427	0.2
472.29050	0.4
473.29547	0.2
490.05484	0.2
490.29935	0.3
507.28229	0.4
532.30994	0.5
533.30359	0.8
550.32227	4.0
551.30884	47.0
552.31213	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	551.1783
Annotation	Foliachinenoside A2
Peak:m/z	Relative Intensity
50.18842	0.0
57.03327	0.0
59.01266	0.6
60.98160	0.0
61.15970	0.1
61.98673	0.1
66.13049	0.0
67.75889	0.0
71.01266	0.6
71.55531	0.1
73.02849	0.1
75.00768	0.1
81.03326	0.1
83.01276	0.1
85.02831	0.2
87.00761	0.1
89.02346	0.3
93.03348	0.1
95.01275	0.1
96.95907	0.1
99.00787	0.1
101.02334	0.3
107.04929	0.2
113.02345	0.3
117.03397	0.2
119.03431	0.1
119.04938	0.3
121.02880	0.1
123.57943	0.1
133.02858	0.0
141.07018	0.7
143.04953	4.4
144.05287	0.2
145.02873	0.3
157.06525	1.2
159.08084	1.9
160.08354	0.1
161.04497	0.2
161.06015	0.1
165.06985	0.1
167.04878	0.1
168.05777	0.1
170.03601	0.1
181.06548	0.4
182.07292	0.5
183.04514	0.1
183.08110	2.6
184.05223	0.2
184.08461	0.1
185.06041	9.3
186.06403	0.7
188.06743	0.1
191.07056	0.1
209.06013	0.2
212.04752	0.2
225.05673	0.5
226.06142	0.1
227.07135	100.0
228.07465	7.9
228.09851	0.1
241.14325	0.1
269.08209	0.1
359.15030	0.4
361.16733	0.2
371.11331	0.1
389.12500	13.5
390.12827	1.8
460.02997	0.1
498.84045	0.1
551.18439	0.3
551.31500	0.3
552.18176	0.1
552.30737	0.1
565.65613	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	551.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.3
57.03334	0.8
58.00476	0.2
59.01263	19.3
60.01600	0.4
61.98722	0.7
65.00212	0.5
65.03848	2.9
67.01768	1.7
69.03340	0.2
70.35854	1.0
71.01266	6.4
71.04910	0.3
72.99195	2.6
73.02843	2.2
75.00761	47.4
83.01280	1.3
83.04924	0.3
85.02835	2.3
87.00778	0.6
87.04422	0.5
88.98695	0.4
89.02347	3.1
91.01789	20.7
92.02111	0.6
95.01280	0.5
95.04929	0.5
96.95906	0.6
97.02851	0.3
99.00793	0.5
99.04415	0.4
101.02343	5.1
101.05998	0.3
103.03889	0.4
108.02079	0.4
109.02859	23.6
109.06480	1.3
110.03204	0.6
113.02351	1.8
113.06024	0.2
115.03895	0.4
119.03404	1.1
121.02877	0.3
123.08097	0.4
125.02308	0.2
125.06036	0.3
125.09658	0.5
131.03462	0.3
131.83353	0.2
135.00804	72.1
135.08073	0.5
136.01141	2.7
137.02342	0.3
137.09645	0.3
138.06819	0.4
139.11259	0.3
141.09172	0.3
143.03526	0.3
145.04993	0.5
149.54153	0.2
152.01154	0.4
153.01874	100.0
153.09123	2.0
154.02223	3.7
155.10762	0.3
159.02942	0.3
161.02415	0.5
161.04486	0.8
163.06012	0.5
167.10739	0.3
171.10242	4.6
175.04010	0.5
177.01799	0.2
185.11848	0.6
201.11293	0.9
217.14453	0.4
231.12381	5.9
231.14525	0.4
237.18573	0.6
243.06642	4.1
244.06911	0.3
285.04260	0.3
297.06256	0.3
301.20221	2.3
302.20541	0.3
319.17627	0.4
370.03561	0.2
371.24460	2.2
379.19818	3.0
389.25519	8.5
390.25626	0.3
443.12009	5.4
444.12518	0.6
473.28967	0.3
490.29871	0.3
491.30154	0.5
507.28281	0.7
531.00342	0.3
532.30988	0.3
533.30145	1.0
550.32300	6.5
551.30841	62.5
552.31226	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	551.1787
Annotation	Tenuiphenone A
Peak:m/z	Relative Intensity
54.23973	0.1
55.01756	0.3
55.28327	0.1
57.03323	0.5
58.00478	0.7
58.31327	0.1
59.01265	15.8
60.01593	0.2
60.99183	0.2
61.98714	1.0
65.00206	0.8
65.03874	0.2
69.03331	0.4
69.35428	1.5
71.01270	9.8
71.04910	0.2
72.01614	0.2
72.99203	1.5
73.02840	1.1
75.00761	7.1
77.03881	0.2
78.95790	0.6
79.96030	0.1
80.02560	0.5
80.76926	0.1
81.03358	0.4
83.01271	0.7
83.04912	0.4
85.02841	2.4
86.85238	0.1
87.00772	1.1
87.04427	0.2
88.98698	1.0
89.02336	11.4
90.02705	0.2
91.01792	13.2
92.02110	0.5
93.03355	0.3
95.01278	1.6
96.95929	0.4
96.99683	0.2
97.02837	0.4
99.00774	0.4
99.04394	0.3
101.02341	5.4
102.02679	0.1
103.00314	0.2
107.01306	0.4
107.04930	0.6
108.02079	16.1
109.02890	3.7
109.06443	0.2
111.00758	0.4
112.00322	0.2
113.02359	3.7
117.03365	0.1
119.03416	3.5
119.04893	0.3
121.02850	0.9
123.00807	4.5
123.04389	0.2
124.01527	0.5
125.02363	0.7
127.03938	0.3
131.03413	0.5
134.06015	0.2
135.00810	13.0
135.04439	0.4
136.01152	0.4
137.01398	0.2
137.02382	2.9
138.02730	0.2
141.06686	0.2
143.03416	0.6
145.02866	0.3
146.03604	0.2
147.04454	0.2
149.02312	0.2
149.04556	0.3
151.00272	0.7
151.03908	0.2
152.01094	15.0
152.99562	0.3
153.01443	0.7
161.02414	0.7
161.04463	0.9
162.03183	2.1
163.03922	1.4
169.06615	0.3
177.05540	1.2
178.06194	0.6
179.05603	1.5
179.58725	0.2
180.04175	0.2
183.10263	0.2
193.08720	0.4
195.06552	0.4
197.06049	1.7
198.06535	0.2
199.07570	0.4
209.11838	2.8
210.12160	0.6
213.05617	0.9
215.07220	0.7
225.05511	0.3
227.03519	0.2
228.04015	0.2
238.07393	0.3
241.05165	0.2
243.06653	100.0
244.06989	8.3
244.09523	0.3
247.07959	0.6
253.04967	0.2
261.12488	0.2
263.16595	0.2
283.13406	0.3
284.03253	0.2
285.03922	0.2
295.02603	0.7
305.11218	0.2
309.04153	0.2
313.23935	2.8
314.24152	0.2
389.06821	0.7
389.25464	0.8
397.13522	0.4
425.21814	0.3
443.12030	0.7
446.15146	0.8
446.65311	0.2
447.26196	0.2
475.29196	3.0
476.29581	0.2
477.15491	0.7
478.16180	0.2
489.31342	0.2
495.16776	0.6
501.38733	0.1
507.28378	1.4
508.28638	0.3
515.31940	0.2
542.21173	0.2
551.17841	8.5
551.31018	10.3
552.18347	1.6
552.30945	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	549.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59007	0.1
52.72887	0.1
56.71440	0.1
57.03342	0.1
57.97319	0.1
59.01261	0.7
71.01266	0.4
71.55590	0.1
73.02852	0.1
75.00764	0.2
78.95784	1.1
79.95625	1.8
83.01300	0.1
83.02400	0.1
83.04931	0.1
85.02831	0.2
87.00764	0.1
89.02347	0.3
96.95911	100.0
96.96896	2.5
97.95856	0.3
97.96378	0.1
98.02376	1.0
98.03450	0.1
98.20544	0.1
101.02343	0.2
113.02312	0.1
152.01134	0.1
161.04599	0.1
187.57799	0.1
225.05699	0.1
323.10754	0.1
333.23224	0.1
463.33185	0.1
489.26294	0.1
490.34009	0.6
549.29529	0.3
550.31726	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	549.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.5
57.03333	2.1
58.00468	1.4
59.01265	34.3
60.01604	0.5
60.91254	0.3
61.98729	2.6
63.20473	0.3
69.03316	0.7
69.48091	3.2
71.01269	25.8
71.04914	0.5
72.01591	0.5
72.99196	1.8
73.02840	5.9
75.00765	3.6
81.03336	0.4
81.75864	0.4
83.01272	3.7
83.04904	0.4
85.02845	9.2
86.00011	0.5
87.00765	2.7
87.04389	1.0
89.02338	17.4
95.01281	1.6
96.95944	0.4
97.02838	1.2
97.06477	0.7
98.19846	0.7
99.00785	2.2
101.02348	15.9
101.05963	0.6
108.09992	0.3
111.00767	0.9
113.01635	0.5
113.02360	7.8
116.92826	0.3
119.03433	3.8
119.78419	0.3
121.10168	0.3
123.08109	0.6
125.02356	1.6
125.09608	0.7
127.11179	0.4
131.03429	4.4
137.09633	1.0
143.03444	0.9
149.04512	4.0
149.09648	0.4
151.00323	0.7
153.09093	0.4
155.10716	1.1
159.02876	0.6
161.04497	3.8
166.02637	2.3
167.10704	0.6
171.00514	0.4
171.10263	0.8
179.05547	0.5
181.05066	2.4
184.11108	0.6
185.11752	0.4
187.13951	0.4
191.05632	1.1
193.44991	0.3
201.11327	0.8
215.12883	1.3
233.06764	0.6
255.19597	0.4
293.08850	0.8
369.22861	4.0
370.23169	0.7
387.10724	0.5
387.24011	2.9
397.50946	0.4
402.12875	0.4
417.16025	3.4
417.25009	11.1
418.16373	0.5
418.25449	1.4
505.26019	0.5
514.60223	0.4
519.28210	0.4
531.28271	1.4
542.01801	0.4
549.29285	100.0
550.29657	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	549.105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07312	0.1
59.01252	0.7
71.43864	0.2
71.44229	0.3
75.00761	0.2
77.03852	1.8
85.02834	0.2
93.03361	0.4
96.95918	0.2
113.64977	0.2
121.02867	100.0
122.03210	3.9
123.62214	0.1
137.02388	0.3
147.04454	0.3
165.01875	53.5
166.02223	2.3
180.05745	0.7
181.06563	2.7
184.52901	0.2
197.06084	2.4
198.06462	0.2
199.07562	0.2
207.04535	1.1
207.08163	0.4
223.03981	0.3
225.05583	1.6
231.56216	0.2
257.09763	0.7
313.07211	1.6
319.95145	0.2
357.06143	0.6
383.07846	0.7
384.19888	0.2
417.09857	1.5
418.10284	0.2
505.11380	1.6
506.12195	0.3
549.10486	33.1
550.10828	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	547.3134
Annotation	Peloruside A
Peak:m/z	Relative Intensity
55.01774	0.8
57.03334	1.2
58.00485	0.3
59.01264	84.8
60.01599	0.8
61.98719	2.2
66.19841	0.2
69.03349	0.4
69.36488	0.7
69.36904	2.0
71.01269	13.8
71.04907	0.8
71.35754	0.3
72.01611	0.5
72.99200	0.7
73.02834	4.7
73.03201	0.4
75.00759	1.5
83.01279	2.5
83.04932	0.5
85.02837	6.5
87.00774	1.1
87.04414	0.3
89.02334	3.7
95.01286	1.3
97.02853	0.8
99.00792	2.5
101.02346	9.7
101.03020	0.6
109.02872	0.3
111.00792	0.4
113.01658	0.3
113.02354	6.5
113.53335	0.3
119.03432	1.2
125.02365	1.1
125.09630	0.3
135.04448	1.0
141.12820	1.4
143.03453	0.9
148.05266	0.5
159.02954	1.0
161.02426	0.5
161.04492	2.6
171.10216	0.3
185.12047	0.3
191.03535	0.9
192.04199	0.5
207.10309	0.4
209.11758	0.5
217.01477	0.5
221.19087	0.3
230.79691	0.3
237.22260	2.8
239.20158	5.0
240.20538	0.5
281.21283	0.4
316.70547	0.3
323.25995	0.3
341.26892	0.3
343.28500	0.4
367.28842	0.3
385.12823	0.3
385.26019	1.6
427.27084	1.2
428.27573	0.3
445.28235	1.6
469.28485	0.8
471.22873	0.5
487.28857	1.9
487.32919	2.0
488.19534	0.4
488.30072	0.3
505.29526	3.0
529.30353	2.9
530.30444	0.3
547.31354	100.0
548.31702	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	547.3138
Annotation	Peloruside A
Peak:m/z	Relative Intensity
51.15815	0.1
55.01773	0.6
57.03332	0.7
58.00501	0.2
59.01263	76.2
60.01595	0.9
61.98720	0.4
69.03339	0.2
71.01268	11.6
71.04912	0.4
72.01638	0.2
72.99213	0.5
73.02832	4.3
75.00771	0.6
83.01285	1.7
85.02842	6.4
85.99987	0.2
87.00761	1.0
89.02334	2.3
89.02848	0.2
92.07277	0.1
92.17402	0.1
95.01283	1.0
97.02851	0.4
99.00774	1.6
101.02345	8.4
102.02708	0.2
111.08031	0.3
113.02360	4.9
119.03461	0.7
125.02365	0.6
129.01846	0.3
131.03439	0.2
135.04449	0.4
141.12775	1.2
143.03441	0.5
148.05200	0.1
159.02942	0.7
159.04312	0.1
161.02409	0.2
161.04494	2.5
163.03961	0.2
172.80855	0.1
189.01964	0.1
191.03543	0.2
192.04169	0.2
207.22737	0.1
209.11755	0.2
211.20624	0.3
217.01404	0.2
221.19070	0.3
229.66048	0.2
237.22269	3.2
238.22560	0.2
239.20171	5.1
240.20476	0.4
281.21219	0.3
297.54428	0.1
299.22293	0.3
309.20895	0.2
310.21155	0.2
409.26056	0.2
427.26968	1.0
428.26929	0.2
445.28165	1.3
469.28323	0.4
487.28857	2.3
488.29474	0.2
505.30103	1.6
522.06311	0.2
529.30353	3.8
530.30878	0.6
547.31342	100.0
548.31689	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	547.1685
Annotation	Sparanoside B
Peak:m/z	Relative Intensity
55.01767	0.9
59.01269	16.3
66.06450	0.7
66.53337	0.6
69.03336	0.8
71.01275	3.9
71.55702	0.8
72.99199	1.8
73.02847	1.5
80.96426	1.3
82.96018	1.0
85.02840	3.0
89.02326	3.4
90.59016	0.7
96.86648	0.7
96.95908	2.7
97.02860	0.7
99.00780	1.0
101.02349	2.4
107.50426	0.6
108.02080	40.3
109.02900	6.0
113.02358	2.8
117.05490	9.6
119.03398	1.0
121.02885	2.0
124.89202	0.7
125.02348	0.8
135.04518	0.9
141.01602	1.6
151.03986	1.2
152.01105	91.3
153.01656	4.7
161.04541	1.1
163.03944	3.7
177.01949	0.9
179.03476	0.9
179.05550	1.2
192.11096	0.7
192.38901	0.7
205.12227	0.6
207.02975	0.8
208.58873	0.6
297.06110	0.9
385.18842	0.8
404.12778	0.7
429.10452	19.2
430.10635	1.8
447.11462	8.3
489.12698	8.5
490.12909	1.2
529.15839	4.2
547.16803	100.0
548.17151	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	545.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72440	0.1
59.01265	0.8
67.74868	0.1
68.76266	0.1
68.98814	0.1
71.01275	0.4
71.56455	0.2
73.02827	0.2
75.00768	0.5
79.95625	2.0
83.01276	0.2
89.02348	0.2
96.95914	100.0
97.00327	0.4
97.95863	0.4
101.02355	0.2
102.19984	0.1
122.93343	0.1
133.02840	0.2
151.00331	0.2
182.95398	0.1
239.47675	0.1
284.03308	1.2
285.04102	2.4
286.04337	0.2
313.41568	0.1
319.05325	0.1
349.15170	0.1
447.09436	2.5
448.09885	0.4
545.27191	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	545.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18629	0.1
57.03318	0.2
59.01264	2.5
59.38976	0.1
61.98718	1.0
69.03348	0.1
71.01271	1.5
71.04872	0.1
72.99198	0.3
73.02830	0.5
75.00774	0.8
75.01135	0.1
77.68250	0.1
79.95624	2.1
83.01270	0.2
83.04914	0.2
84.17351	0.1
85.02835	0.5
87.00774	0.2
87.04410	0.1
89.02341	0.5
90.81405	0.1
91.74502	0.1
96.95910	100.0
97.95841	0.4
99.00781	0.2
101.02351	1.0
108.02073	0.3
109.02838	0.2
113.02346	0.4
118.66595	0.1
119.03430	0.2
120.01178	0.1
125.02383	0.2
133.02864	0.2
151.00256	0.3
151.07536	0.3
152.01047	0.4
175.03944	0.2
191.03574	0.1
285.04095	4.2
286.04504	0.3
339.02188	0.2
340.99887	0.4
355.98569	0.3
383.00912	0.9
384.99133	0.1
430.90958	0.1
447.09366	1.8
448.09546	0.2
483.33261	0.2
485.08353	1.1
501.34738	0.2
545.06519	0.2
545.25372	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	543.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94332	0.4
55.01758	0.6
57.03335	2.1
58.00471	0.4
59.01263	61.2
60.01606	0.5
61.98715	5.6
65.00200	0.4
69.03329	1.0
69.34740	0.4
71.01269	14.2
71.04904	0.8
71.28156	0.9
72.99214	1.2
73.02842	4.8
75.00769	6.9
76.01107	0.5
78.95809	0.5
81.03342	0.8
83.01286	2.8
83.04923	1.0
85.02841	5.9
87.00777	3.1
87.04412	1.6
89.02339	6.1
95.01292	1.0
96.95921	2.2
97.02863	1.1
97.06509	0.8
97.62981	0.4
99.00802	1.4
99.04437	1.1
101.02351	9.4
101.05982	1.7
107.01298	1.7
107.80317	0.4
109.06489	0.7
111.04446	0.5
113.02352	7.3
119.03400	2.3
121.02870	0.6
123.08073	0.5
125.02401	2.1
125.05993	0.5
125.09674	0.6
128.03487	0.7
131.03432	0.6
135.08076	3.6
137.09659	0.6
139.07593	0.4
141.09142	0.4
143.03452	1.0
148.05173	0.5
149.02357	1.0
151.00311	4.6
151.07559	1.9
161.02457	0.6
161.04503	4.0
165.12779	0.5
167.36482	0.5
169.12276	1.3
171.10216	0.8
174.03249	0.5
175.03960	0.5
179.05594	1.0
183.04532	0.6
183.13843	0.9
183.33046	0.4
185.06050	0.6
191.03455	0.6
197.11766	1.2
199.07794	0.5
201.01862	0.5
201.09221	2.0
201.11345	1.7
203.03554	0.7
208.17030	1.9
209.11897	2.9
210.12300	0.5
211.04041	0.7
224.16660	0.6
227.07098	0.7
227.13025	0.4
229.08572	0.5
241.05246	0.5
243.10236	0.5
255.03027	39.4
255.06541	1.7
256.03476	3.4
256.07138	0.4
265.05096	0.5
269.04626	1.8
269.17798	0.5
270.05057	0.5
270.17178	1.1
281.04773	1.3
283.02542	25.7
284.03235	6.7
284.30762	0.5
285.04083	2.5
295.06070	0.7
296.06833	0.8
296.15063	0.6
297.04092	13.8
298.04712	3.1
309.04105	27.5
310.04599	4.2
311.05426	0.8
313.03635	2.4
314.03986	0.6
319.06320	0.6
323.05646	4.6
324.06339	3.9
325.06989	0.6
329.23401	1.1
335.05936	0.8
335.09351	1.9
336.06165	0.7
337.03546	2.1
337.07266	8.5
338.04044	0.6
338.07736	0.8
351.08853	2.8
352.09570	23.0
353.10352	44.4
354.10690	4.9
362.08237	0.5
363.08990	1.1
369.23370	0.5
371.20822	5.2
372.21194	0.5
380.09103	1.3
381.09885	21.0
382.10358	2.7
389.21982	0.9
395.11292	0.9
395.24448	0.8
413.25540	1.6
424.20270	0.5
446.08636	40.1
447.09045	5.2
467.20880	1.1
483.29086	5.3
484.30246	0.7
486.12338	0.5
499.12903	1.2
499.25482	1.2
499.32999	1.5
501.30792	4.1
515.15820	2.5
516.15881	0.8
525.25671	2.8
542.30072	1.8
543.15198	100.0
543.30017	5.0
544.15503	18.6
544.28339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	0.9
59.01262	13.6
61.98707	2.2
63.02298	0.4
65.00224	0.7
69.31951	0.3
71.01263	4.7
71.04908	0.3
71.57650	0.5
72.99190	0.6
73.02445	0.3
73.02831	1.4
75.00754	2.4
76.41391	0.3
80.91570	0.9
83.01295	0.9
85.02841	2.4
87.00773	1.0
87.04424	0.4
89.02329	3.5
95.01295	0.9
96.95915	0.7
97.02881	0.5
97.06519	0.4
98.95557	0.2
99.00822	0.3
101.02342	3.1
103.03922	0.5
107.01311	1.6
109.06496	0.4
113.02346	4.6
113.97768	0.3
119.03382	1.3
121.02898	0.4
123.04467	0.3
125.02348	1.1
131.03445	0.3
135.04526	0.3
137.09509	0.3
139.07562	0.5
143.03418	0.6
143.27220	0.3
144.54883	0.3
146.03708	0.3
149.02353	0.7
149.04434	0.3
149.09689	0.5
149.90233	0.3
151.00298	4.3
151.07602	0.5
157.02827	0.3
159.04480	0.3
161.02359	0.4
161.04520	0.9
172.05220	0.5
177.01897	0.6
177.09116	0.3
179.05566	0.9
185.06096	0.6
191.03452	0.3
201.09213	1.8
201.11034	0.4
203.03516	0.7
204.04269	0.3
213.05652	0.3
226.36250	0.3
227.03429	0.4
229.08698	0.7
231.02983	0.4
231.12457	0.7
235.01567	0.3
243.09933	0.3
252.01718	0.3
255.03009	4.1
255.05663	0.4
255.06702	0.3
256.03467	0.5
269.04633	1.3
279.06577	0.6
281.04660	0.7
282.05475	0.6
283.02475	2.9
284.03238	1.5
285.03888	0.6
295.06186	1.1
297.00674	0.6
297.04105	13.3
298.04733	2.6
307.06155	0.5
308.03281	0.4
309.04108	25.5
310.04605	3.9
311.05533	0.4
319.06247	0.7
322.04813	0.8
323.05667	5.1
323.09332	0.5
324.02890	0.3
324.06363	4.5
325.06863	0.7
328.73975	0.3
335.05673	1.0
335.09344	1.6
336.06302	0.7
337.03497	2.5
337.07266	8.9
338.04111	0.3
338.07635	1.4
351.04984	0.6
351.08752	3.2
352.06104	0.7
352.09570	22.6
353.10345	42.5
354.10718	4.3
363.08759	1.2
367.12262	0.3
380.09052	1.9
381.09872	26.8
382.10220	3.4
395.11356	0.5
423.10974	0.5
446.08704	3.7
447.09085	0.5
465.32898	0.4
467.20856	0.5
483.22595	0.6
483.29611	0.9
499.12515	0.9
499.32886	0.4
501.30713	0.6
515.15723	2.8
516.16052	0.4
525.14026	0.4
543.15179	100.0
543.28699	3.6
544.15515	18.1
544.28180	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.8
59.01283	0.5
65.00208	2.0
65.91286	0.5
68.86971	0.4
69.32042	4.2
83.01262	2.2
83.54205	0.4
98.53071	0.4
106.66780	0.5
106.67509	0.4
107.01297	5.1
111.00752	0.4
123.04410	1.0
124.01609	1.2
125.02357	8.1
126.02733	0.6
137.02332	0.5
151.00310	19.7
151.01538	1.0
152.00714	0.6
154.51569	0.5
161.02385	2.7
164.01088	0.5
165.01903	1.6
167.03467	2.7
169.01346	0.5
170.93883	0.4
172.05212	2.3
175.00305	1.3
175.03961	1.0
179.03459	0.4
182.03639	0.5
183.04500	0.8
185.06036	1.8
186.06844	1.0
187.03970	1.5
187.07608	1.0
188.04692	0.7
193.01486	0.5
196.05336	1.2
197.05876	0.5
199.04002	0.5
199.07605	0.5
200.04735	1.8
201.05431	0.4
201.09203	2.5
202.09393	0.4
204.04185	0.6
211.03967	0.8
211.07634	3.7
213.05667	1.1
214.02670	0.6
214.06389	0.8
224.04776	1.1
225.09172	0.7
226.02734	0.6
227.03484	1.3
227.07101	1.6
228.07841	0.5
229.08719	6.6
230.09000	0.7
237.05606	0.7
239.07164	0.7
240.04327	0.8
241.05130	0.7
248.04654	0.5
251.03583	0.4
251.07198	0.5
253.08806	1.7
255.06647	8.4
261.05646	2.4
262.06198	0.9
263.07181	0.5
264.04117	0.8
265.05048	1.4
266.05731	0.8
267.06546	0.6
271.09503	0.5
277.05136	1.2
277.08679	1.4
278.05615	0.6
279.06653	0.9
281.04422	0.8
283.02576	0.6
289.05133	0.8
290.05841	0.6
295.02438	0.7
295.06534	0.5
295.09885	2.5
305.04636	6.8
305.07968	0.4
306.05106	1.8
307.06125	1.4
308.03336	14.5
308.06784	0.6
309.03995	7.5
309.07861	1.7
310.04456	0.5
310.07971	0.5
311.09399	0.5
313.11029	0.6
319.09842	0.7
321.04071	1.3
322.04755	1.3
323.05493	2.6
333.04086	3.9
334.04691	1.7
335.05551	1.0
335.09271	0.9
336.06528	2.4
337.07242	20.7
337.10501	0.7
338.07507	2.5
347.05746	0.9
351.05112	2.1
352.05777	0.7
362.08237	0.9
363.08856	2.4
380.09061	2.7
381.09857	60.0
382.10184	7.8
423.10895	0.7
471.09515	0.9
499.33127	0.6
522.67401	0.4
525.13947	0.6
543.15186	100.0
544.07172	0.9
544.15509	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	543.0454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96716	0.1
59.01250	0.4
65.00202	0.1
68.00524	0.1
71.01271	0.3
75.00761	0.5
79.95625	2.1
80.64702	0.1
85.02841	0.5
87.00779	0.2
95.01272	0.2
96.95911	100.0
97.95844	0.2
101.02316	0.1
113.02364	0.8
113.92529	0.2
114.93302	0.3
125.02377	0.4
139.00317	0.2
141.02002	0.1
151.00304	0.4
151.03908	0.2
165.01988	0.1
166.99869	0.3
175.02432	0.4
178.99821	0.2
179.39746	0.1
193.01305	0.1
194.99487	0.2
269.04620	2.3
270.04855	0.4
271.05295	0.1
285.04001	0.3
367.05386	0.2
367.09613	0.3
445.08109	0.6
543.21014	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	2.8
59.01268	8.6
61.98706	3.2
63.02275	1.7
65.00210	20.2
66.14369	0.7
70.01548	1.5
70.01942	1.7
71.01258	3.4
73.02834	1.4
74.50937	0.8
75.00756	2.8
76.86649	0.7
81.03323	1.3
83.01275	10.4
85.02879	1.3
87.00783	1.6
89.02326	2.4
93.03335	1.1
95.01288	1.4
96.95911	3.1
97.02850	1.1
101.02322	1.4
107.01295	29.6
110.96848	0.7
113.02370	1.5
119.64957	0.8
121.02859	1.8
123.04404	3.7
124.01557	2.3
125.02367	28.0
131.01305	1.8
137.02386	1.9
149.02370	2.0
151.00308	91.8
151.07500	1.0
152.00638	3.9
161.02325	1.3
165.01866	2.7
167.03479	6.5
169.01367	1.2
172.05257	7.6
174.03178	1.4
175.00333	8.1
183.08054	1.3
185.06044	2.6
186.06787	3.0
187.03958	1.1
193.01363	2.2
198.03162	1.2
199.07605	1.8
200.04692	1.3
200.08286	1.3
201.09190	91.8
202.09567	7.6
203.03503	1.4
209.06186	0.9
210.06731	1.2
211.03952	1.5
212.04758	2.9
212.48775	0.7
213.05478	1.0
215.07097	1.0
223.07494	1.9
224.08418	1.1
225.09148	2.7
226.06270	0.8
227.03508	0.8
227.07143	6.3
228.07535	1.3
229.08711	53.9
230.09065	4.1
237.05614	1.8
241.04840	1.0
248.08430	1.4
249.09315	1.6
251.07208	7.3
252.07898	3.5
253.08704	5.9
255.03072	2.8
255.06650	11.5
261.05856	0.9
265.05222	0.9
265.08694	1.6
275.07199	2.1
277.05316	1.2
277.08719	3.0
278.05933	1.7
278.09174	1.3
279.06686	16.3
280.07108	1.6
283.02585	1.9
284.03345	1.0
289.08661	1.4
290.09494	1.0
291.06757	1.9
291.09952	1.4
293.05011	0.8
293.08289	2.3
295.02411	1.6
297.04166	1.0
305.04749	1.4
305.08276	1.8
306.05420	1.8
306.08774	1.4
308.03259	3.3
309.04102	18.3
310.04575	2.0
318.09048	1.7
319.06134	1.6
319.09723	3.7
320.03275	0.8
323.05786	0.9
324.02673	1.0
333.07709	1.5
334.08585	6.4
335.09244	7.4
337.03601	2.9
337.07211	1.4
338.04245	1.1
351.08905	1.8
353.10382	12.6
354.10614	1.4
362.08023	10.9
363.08804	63.6
364.09247	6.3
377.10394	1.3
381.09872	67.5
382.10281	8.4
387.08875	5.5
405.09906	13.4
406.10260	2.5
417.09903	1.5
423.10770	1.4
435.10980	1.3
446.08813	2.0
507.12906	1.1
515.15668	2.0
525.14124	63.4
526.14410	11.9
543.15204	100.0
544.15607	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	542.2982
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	9.3
59.01265	100.0
61.29620	1.5
61.98714	31.1
65.00224	1.8
67.26435	1.5
69.03342	2.6
71.01266	18.1
71.04913	17.3
72.99200	3.9
73.02835	6.9
75.00767	31.4
78.95794	3.3
83.01268	2.2
83.04920	4.6
85.02843	6.7
86.02370	1.7
87.00765	7.6
89.02349	8.8
95.04919	1.8
96.95927	8.6
97.06509	4.7
99.00762	3.5
101.02357	12.8
109.06511	2.2
111.08078	3.3
113.02339	9.9
113.05973	5.6
115.03886	1.5
119.03415	5.4
123.08076	2.6
125.02383	3.6
125.09633	3.4
127.03900	1.5
135.08044	2.4
141.09094	3.0
143.10712	21.9
151.00320	1.9
151.07642	3.8
161.04527	2.7
163.11224	2.3
165.12782	16.8
165.17188	1.5
166.28685	1.7
169.12357	1.8
179.05479	1.6
181.12392	2.6
183.13870	34.5
184.14261	3.1
185.11780	8.3
191.03494	3.1
192.04305	1.6
196.02289	1.5
199.13367	7.0
205.09042	1.6
209.11865	7.0
222.14977	5.6
224.16551	13.3
226.18169	9.8
227.12907	7.2
229.47101	2.3
242.17705	8.7
245.13988	6.2
255.03033	74.8
270.17206	6.5
283.02533	54.1
284.03296	6.7
285.04034	5.3
288.18253	22.4
289.18317	1.9
297.04132	4.6
297.20697	2.2
309.04010	11.2
313.03656	4.5
337.06958	2.4
337.16580	2.2
342.23080	7.5
352.09677	9.0
353.10278	17.0
381.09766	22.1
438.28729	19.4
446.08640	83.6
455.34543	2.2
456.29752	59.5
457.30121	8.2
467.19339	1.8
482.32394	2.0
483.22409	3.1
485.06012	1.6
498.30823	94.6
499.31381	18.4
501.30478	3.2
542.30316	5.2
543.15143	45.6
543.32971	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	542.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
58.37738	0.9
58.60143	0.8
59.01266	7.7
60.12463	0.8
61.98713	7.6
71.01270	7.1
71.55808	1.3
72.99170	1.4
75.00758	9.5
78.95800	1.5
78.98487	1.3
79.95634	8.4
80.96409	15.6
80.97202	0.9
83.04892	1.5
85.02828	2.9
87.00764	2.4
89.02334	1.4
94.97978	3.1
96.95277	2.1
96.95908	37.1
96.97610	0.9
97.06509	1.0
99.60481	0.9
101.02332	2.8
108.95955	0.9
110.06023	1.8
113.02356	3.1
122.06020	3.8
122.97517	1.9
134.97491	1.7
148.03935	1.6
148.99118	1.8
149.04503	1.1
149.30525	1.0
152.98550	1.7
161.04527	1.6
164.98628	2.2
166.05028	1.4
167.40477	1.1
175.02487	2.1
203.05815	1.8
210.40112	1.0
225.00833	5.8
225.10269	1.3
235.08595	1.8
236.07062	1.3
237.06564	2.5
237.10335	2.5
238.07422	3.1
238.11034	1.2
239.11858	1.4
240.53723	1.0
241.00305	1.4
250.11153	3.1
251.08293	9.9
252.09073	3.3
253.09758	3.5
254.98172	5.6
255.98410	1.8
264.05353	2.6
265.06281	4.5
265.09854	17.9
266.10681	5.6
267.11456	12.7
275.08359	2.4
278.07013	5.5
279.07794	44.3
280.08258	6.1
285.03961	1.6
293.09393	67.1
294.10123	69.7
295.10611	10.1
297.08951	1.2
298.09720	2.3
301.07321	2.5
311.10474	5.6
325.12030	1.4
326.05234	1.9
326.09167	35.4
326.12665	4.9
327.09436	2.8
327.13049	1.2
328.06000	1.0
358.11761	4.8
372.17258	3.7
390.18530	1.9
416.16269	8.0
434.17276	66.7
435.17639	10.8
436.18958	1.8
437.20038	2.0
448.18826	8.0
466.19888	24.3
467.20142	3.6
478.16284	44.4
479.16504	6.2
492.18036	3.7
494.15771	2.1
507.14124	3.9
510.18930	100.0
511.19254	20.5
525.16693	10.4
542.21173	3.6
543.17523	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	541.0307
Annotation	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)
Peak:m/z	Relative Intensity
57.03340	0.5
58.69991	0.3
59.01265	4.4
61.98714	0.6
69.03322	0.3
69.52390	2.7
71.01271	20.3
71.58880	0.3
73.02833	1.4
75.00780	0.5
79.95617	5.2
80.96413	16.2
83.01273	0.4
84.14847	0.3
85.02844	5.4
86.97061	0.4
87.00771	3.6
95.01295	1.2
96.95917	14.6
103.00270	3.1
110.55497	0.3
113.02360	10.3
115.00289	15.3
115.40514	0.3
122.97500	0.6
129.01843	0.5
138.97009	3.8
148.80067	0.4
157.01413	2.0
166.96515	3.0
174.96948	0.4
175.02448	25.2
176.02782	1.0
192.98129	5.8
210.99213	0.8
236.97267	0.4
254.98207	100.0
255.98511	4.0
285.04175	1.7
501.31503	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.2
57.40708	0.2
59.01265	100.0
60.01593	1.5
61.98717	2.6
69.39240	1.8
71.01267	2.3
71.04891	0.4
72.99185	0.3
73.02841	0.8
75.00761	4.8
78.95809	0.2
80.96413	0.3
83.01288	0.4
83.04942	0.3
85.02863	0.6
87.00777	1.4
89.02357	1.4
96.95933	0.5
97.06508	0.3
98.19744	0.2
99.00801	0.3
101.02349	1.0
104.68619	0.2
111.04443	0.4
113.02345	1.1
115.00230	0.3
117.01859	0.4
119.03455	0.6
119.50484	0.2
123.08053	0.2
125.02360	0.3
143.03447	0.3
161.04453	0.4
173.06123	0.3
176.60474	0.2
179.05603	0.5
183.13916	0.4
187.07623	0.7
193.26207	0.2
195.10271	0.3
197.11919	0.3
200.04840	0.3
201.05519	0.3
201.09265	0.2
209.11819	1.7
214.06421	0.3
215.07173	0.8
227.03391	0.2
231.10175	0.3
254.98227	0.7
276.13831	0.4
288.10165	0.3
305.17532	0.4
371.14822	0.3
438.28882	0.4
461.18411	0.6
467.72873	0.2
480.29922	0.9
481.32260	0.2
498.30774	0.4
541.30182	2.4
542.29700	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	541.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01785	0.4
57.03329	0.6
59.00994	0.5
59.01264	6.0
60.99184	1.1
61.98703	0.4
64.49570	0.4
68.50906	0.3
69.03333	0.3
71.01270	20.3
71.56063	0.5
72.01557	0.4
72.99192	0.9
73.02831	1.3
75.00774	1.7
76.68134	0.3
79.95621	4.7
80.96410	18.1
83.01283	0.4
84.50993	0.3
85.02843	5.5
87.00768	4.2
88.00281	0.8
88.98701	7.4
89.02325	1.2
95.01257	1.6
96.07970	0.3
96.95916	18.3
99.00800	0.6
101.02350	0.7
103.00277	3.4
113.02354	11.9
115.00289	17.4
116.00652	0.3
122.97508	0.6
131.03447	0.4
138.97008	4.6
150.96986	0.3
157.01393	1.8
166.96484	2.7
175.02440	29.2
176.02763	1.0
192.98106	5.9
196.06067	0.4
210.99182	1.1
236.97177	1.0
254.98196	100.0
255.98514	4.7
265.09708	0.5
267.11411	0.4
285.04132	1.6
293.09372	0.9
294.10178	1.1
326.09116	0.4
434.17337	0.9
478.16309	0.4
510.18961	1.2
540.34576	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.4
57.03337	2.7
58.00480	2.3
59.01266	34.8
60.01605	0.7
61.98711	2.9
67.67529	0.2
69.03352	0.4
70.04277	0.6
70.04672	0.5
70.32912	0.2
71.01271	30.0
71.04906	0.4
72.01627	0.8
72.99200	3.0
73.02835	6.8
75.00763	10.7
77.53482	0.2
83.01277	2.9
85.02843	9.3
86.03168	0.4
86.07426	0.2
87.00785	1.7
87.04419	0.8
89.02341	22.7
90.02695	0.6
93.62704	0.2
95.01280	2.1
96.95929	0.4
97.02860	0.7
97.06516	0.5
99.00793	1.5
99.04472	0.3
101.02348	19.8
102.02704	0.5
109.06457	0.3
111.00821	0.5
111.08109	0.3
113.02361	10.7
113.09646	0.4
114.02708	0.3
119.03416	10.0
119.04258	0.5
119.52544	0.3
123.08085	0.5
124.03970	0.3
125.02407	0.5
125.09692	0.4
129.01863	0.5
131.03456	0.9
139.11101	0.3
141.09187	0.5
143.03444	1.6
143.04408	0.2
143.10703	0.6
145.02948	0.3
149.04489	0.8
152.07144	0.4
153.09131	1.2
155.10687	0.5
159.02931	0.5
161.04520	2.6
167.10777	0.4
169.12245	0.3
173.11787	1.1
179.05586	4.5
187.13353	2.0
196.06134	1.0
201.14941	0.6
208.76863	0.2
209.11806	2.3
216.13657	0.4
217.14426	1.8
227.13025	0.4
249.48999	0.3
253.09425	0.6
269.04694	0.9
331.25067	0.9
359.28174	0.6
361.16730	0.3
375.27637	2.5
376.28073	0.8
377.29144	22.3
378.29538	2.2
479.25247	0.7
508.17285	0.3
539.34430	100.0
540.34814	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	539.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53604	0.5
50.61330	0.6
51.75029	0.6
53.82812	0.5
56.64070	0.6
57.03334	1.1
58.00476	3.3
59.01264	100.0
60.01602	1.0
61.98720	1.4
69.03352	1.0
71.01270	31.9
71.56909	1.1
72.01579	0.7
72.99200	5.4
73.02835	30.8
75.00769	4.6
78.95805	1.2
80.88788	0.6
83.01263	1.4
85.02841	15.6
86.00006	2.3
86.03223	0.7
87.00764	9.8
87.04407	4.4
89.02335	25.9
89.53894	0.5
94.87392	0.5
96.95918	6.7
96.96859	1.2
97.02863	1.2
99.00790	1.1
99.04440	1.1
101.02347	56.8
102.02692	1.1
103.00359	0.7
103.03912	27.1
109.02923	0.9
113.02359	2.9
115.03939	5.8
115.17471	0.6
119.03423	11.8
120.99551	1.1
125.02370	2.6
127.03947	2.6
131.03433	9.2
135.04449	0.7
143.03439	12.7
145.05011	9.3
161.04474	0.8
163.06071	99.5
164.06386	3.5
189.02480	0.5
193.08627	0.9
205.07167	18.9
206.07571	0.8
235.08250	1.4
265.09366	6.3
307.10364	0.8
325.11636	1.6
467.63358	0.6
479.32468	0.8
538.33112	1.6
539.19153	1.0
539.33917	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	539.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00466	1.4
59.01266	28.9
70.40263	3.5
71.01269	26.4
72.99174	1.9
73.02837	2.6
75.00762	1.2
78.95781	2.3
83.01289	1.6
85.02856	4.7
87.00775	9.7
89.02339	43.1
95.01286	2.5
96.95921	2.1
97.02797	1.9
101.01700	1.6
101.02349	23.4
109.45429	0.8
110.86327	0.7
111.00788	2.8
113.02361	14.3
119.03416	7.9
120.26568	0.8
121.02859	1.1
125.02354	1.4
129.01837	1.3
131.03412	3.2
135.04456	2.7
143.03412	3.7
149.04486	1.5
160.03987	0.9
161.04500	10.0
177.01918	8.3
178.02278	1.2
179.05569	35.9
180.05957	1.2
191.01955	1.8
195.04959	1.0
196.98509	3.7
197.04556	2.6
221.06665	22.2
222.06995	1.0
250.63576	0.8
263.07733	1.7
281.08987	2.1
315.07413	1.3
323.09915	4.0
339.07349	3.0
341.11234	7.3
377.08646	16.0
378.09195	1.2
383.12076	4.6
488.01108	0.8
503.16321	100.0
504.16504	11.1
520.78351	1.0
539.13959	67.0
540.14447	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	537.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94711	0.3
55.01778	0.5
57.03318	0.7
58.00461	0.5
59.01263	22.7
60.01569	0.2
67.53991	0.2
71.01267	7.9
71.04899	0.4
71.27061	0.5
72.99180	0.9
73.02821	1.9
74.99007	0.2
75.00737	0.8
83.01274	1.6
85.02835	3.1
87.00764	0.8
89.02334	3.5
90.09019	0.2
95.01268	0.9
97.02837	0.4
99.00787	1.2
101.02342	6.3
102.02692	0.2
111.00779	0.6
113.02356	3.1
117.38560	0.2
118.42360	0.3
119.03411	1.0
121.02855	0.8
123.08087	0.3
152.25888	0.2
156.82727	0.2
157.12296	1.4
159.10066	0.2
160.72974	0.2
161.04472	0.8
169.12283	0.3
185.11815	0.4
203.66121	0.3
315.25345	0.6
316.26678	0.3
319.17407	0.3
329.23322	0.7
329.26837	0.2
352.11649	0.3
355.24429	0.3
357.26541	3.6
358.26675	0.4
368.32458	0.3
373.25989	0.6
375.27557	10.1
376.28033	1.5
477.30826	1.3
514.37646	0.3
519.31647	1.6
520.32050	0.5
537.32874	100.0
538.33191	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	537.3292
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.74481	0.2
53.99787	0.2
55.01764	1.8
57.03341	2.6
58.00476	2.4
59.01263	47.7
59.89563	0.2
60.01585	0.5
60.99179	0.4
61.98710	0.7
69.03323	0.4
70.49463	0.8
71.01267	35.5
71.04911	0.8
72.01605	0.6
72.99188	2.7
73.02829	8.5
74.03172	0.2
75.00764	1.0
83.01275	3.9
83.04944	0.2
84.02061	0.2
85.02841	11.3
86.03172	0.2
87.00767	2.4
87.04400	1.2
88.98700	1.3
89.02335	32.7
90.02684	0.8
95.01286	2.8
96.95906	0.2
97.02876	0.4
97.06467	0.4
99.00776	1.9
99.04419	0.3
99.08035	0.3
101.02344	25.4
102.02695	0.7
103.84697	0.2
109.06477	0.4
111.00787	0.7
111.08063	0.4
113.02353	13.2
113.09633	0.4
114.02676	0.4
119.03415	12.8
120.03765	0.4
121.10138	1.7
123.08055	0.9
125.02359	0.8
125.09637	0.5
127.11185	0.3
129.01863	0.3
129.09140	0.3
131.03412	1.1
137.09659	1.0
139.07616	0.4
139.11169	0.3
141.09050	0.4
143.03444	1.8
143.10692	0.7
149.04492	0.9
149.09659	0.4
151.11237	0.5
153.09157	0.9
155.10738	0.6
157.12251	0.2
159.02954	0.8
159.10188	0.3
161.04515	3.5
163.06126	0.4
165.09109	0.3
167.10725	0.9
169.12267	0.7
171.13820	0.2
173.11758	2.4
179.05569	5.8
179.07213	0.4
179.10739	0.6
181.12250	0.5
182.12639	0.2
182.67345	0.2
183.13843	0.3
185.11726	0.3
187.13374	2.5
199.13362	0.8
201.15034	0.3
215.12962	0.4
216.13631	0.9
217.14442	9.0
218.14796	0.4
231.16145	0.3
240.19489	0.2
283.22906	0.2
285.04163	0.2
287.22485	0.2
315.25433	0.6
331.18024	0.2
345.26563	0.3
349.19022	0.2
357.26559	1.4
373.25912	0.5
375.27576	20.4
376.27866	2.4
379.19717	0.2
393.21347	1.8
477.23599	1.3
477.29938	0.3
519.31940	0.8
537.32892	100.0
538.33234	16.7
538.41949	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.4
57.03341	2.0
58.00484	1.9
59.01265	44.6
60.01608	0.6
61.98719	3.7
65.73962	0.2
68.99704	0.2
69.03352	0.6
69.61636	1.8
71.01270	31.5
72.01619	0.3
72.99193	2.1
73.02836	6.8
75.00764	0.9
81.03378	0.3
83.01274	4.0
85.02843	10.7
86.03197	0.4
87.00776	2.2
87.04459	0.4
88.98752	0.2
89.02337	26.9
90.02697	0.5
95.01273	2.2
95.01743	0.2
97.02866	0.5
97.06534	0.5
97.48703	0.2
99.00786	2.1
99.08046	0.4
101.02346	22.7
102.02682	0.4
103.03902	0.5
109.06487	0.3
111.00810	0.3
111.08064	0.6
113.02355	12.7
113.09648	0.5
114.02726	0.5
119.03417	12.3
120.03764	0.4
123.08090	0.5
125.02384	0.9
125.09696	0.3
127.11186	0.5
129.01903	0.4
129.09151	0.5
131.03427	1.3
137.09673	0.8
139.07585	0.5
141.09171	0.4
143.03426	2.4
149.04520	0.8
153.09172	0.8
153.12801	0.4
155.10713	1.5
159.02989	0.7
161.04506	6.2
162.04761	0.2
163.06087	0.7
167.10727	0.5
169.12282	0.4
173.11786	1.8
179.05583	7.1
179.07039	0.4
187.13408	1.4
194.88271	0.2
201.14978	2.2
216.13643	0.6
229.14449	0.4
230.15260	1.1
245.17599	0.5
258.74832	0.2
262.14221	0.3
291.55453	0.2
311.22433	0.3
331.17706	4.0
332.18002	0.4
347.75272	0.2
357.26666	0.8
373.85947	0.2
375.27591	29.8
376.27930	3.5
376.32275	0.4
477.23523	14.6
478.24011	2.0
521.22595	0.2
537.32916	100.0
538.33252	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	537.3293
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01752	0.4
57.03334	0.3
58.00480	0.4
59.01265	10.4
61.98716	3.2
71.01270	6.0
71.04927	0.3
71.05556	0.6
72.99200	6.0
73.02837	2.4
75.00762	100.0
76.01100	1.2
78.95786	0.6
83.01276	1.2
83.04894	0.3
85.02832	2.6
87.00774	0.9
88.98693	0.7
89.02335	1.6
90.42294	0.3
91.01795	1.9
96.95887	0.3
97.06466	0.4
99.00781	1.1
101.02339	4.4
104.30190	0.3
108.02067	2.6
109.02864	0.8
113.02358	2.5
117.02033	0.3
119.03407	0.6
121.02852	0.4
123.00808	0.8
124.01495	0.3
125.02381	0.6
126.45825	0.3
128.80449	0.3
134.03647	0.3
135.00778	1.7
137.02367	0.7
143.03439	0.3
147.04475	0.6
152.01108	2.5
161.02382	1.1
161.04480	1.4
163.03960	0.5
169.12276	0.3
171.10207	0.3
171.13876	3.7
172.14204	0.4
175.07614	0.4
187.07553	0.6
191.03511	0.6
197.06075	0.3
201.11351	0.7
237.03915	0.3
243.06657	17.9
244.07028	1.9
267.06577	0.3
269.08151	0.3
285.04025	0.9
287.09433	0.4
315.25534	0.5
329.27142	0.3
375.27283	0.3
447.09503	0.3
465.32040	0.4
477.18579	0.4
477.23871	0.8
477.30502	4.9
478.31064	0.6
489.19250	0.9
490.19406	0.4
495.30405	0.3
537.16376	2.0
537.32910	86.9
538.33331	13.9
538.41742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.9
57.03344	2.6
58.00478	1.1
59.01268	47.1
61.98714	2.2
68.99719	0.6
69.03343	2.8
71.01273	35.6
71.56215	0.7
72.01598	0.7
72.99206	4.7
73.02838	13.6
75.00764	5.0
75.40789	0.5
80.96410	0.6
81.03358	0.6
83.01284	9.4
83.04926	1.5
85.02844	16.8
87.00757	2.8
87.23036	0.4
89.02342	10.6
95.01304	1.4
95.04937	1.2
96.95912	1.3
97.02834	1.9
97.06461	0.6
99.00777	5.8
101.02350	30.8
102.02651	0.5
102.06979	0.4
103.03893	2.5
103.21166	0.6
107.11954	0.4
109.02892	0.8
109.06541	0.5
111.00768	0.9
111.04445	0.8
113.02366	14.7
114.02631	0.7
115.03936	0.9
117.01862	0.7
119.03410	3.4
121.06503	1.4
122.03620	0.6
125.02345	3.5
127.03904	0.8
129.01865	1.0
131.03398	0.6
137.05940	0.7
139.07576	1.3
143.03455	2.7
144.43938	0.5
145.05008	1.1
149.09718	0.7
151.03928	0.9
159.02917	2.9
161.04512	17.8
162.04843	0.8
163.06099	2.9
179.05595	0.5
191.10815	0.7
205.03496	1.0
205.07191	0.8
241.10748	0.8
243.08618	0.7
254.98157	0.5
271.12064	1.3
285.04086	1.9
307.10535	0.7
308.07666	0.6
331.17694	19.7
332.18039	1.7
345.13669	0.6
375.12994	4.1
376.13297	0.8
477.23532	100.0
478.23904	14.9
497.91241	0.6
498.91666	0.6
521.22217	1.0
537.18250	0.7
537.29730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	1.1
61.28985	0.2
64.20921	0.2
68.99593	0.2
70.98557	0.6
71.01274	1.2
72.99190	0.2
75.00777	0.5
83.91172	0.2
85.02811	0.6
89.02320	0.7
95.01261	0.3
96.95887	0.8
101.02341	0.9
108.02098	0.5
109.02859	10.2
110.03172	0.3
113.02345	0.5
121.02840	1.1
122.03625	0.6
122.23205	0.2
123.00799	0.8
123.04391	0.6
124.01562	0.6
125.02352	0.3
133.02856	0.2
135.04393	0.3
136.01590	5.5
137.02353	0.6
143.04941	0.5
145.02885	1.5
146.03665	2.9
147.04466	1.2
149.02364	0.7
149.04440	0.3
150.03148	2.2
151.03946	6.3
152.01076	0.2
152.04228	0.2
153.01796	0.4
158.03644	0.8
159.04459	1.2
160.05214	0.7
161.04675	0.3
161.06018	1.9
164.04723	0.5
165.05499	2.5
171.04451	0.6
172.05251	2.0
173.06055	0.9
174.03178	0.7
175.02505	0.4
175.03963	5.6
175.07549	0.4
176.04729	5.1
177.05287	0.2
179.05647	0.2
179.07054	0.6
180.04161	0.2
187.03975	0.6
187.07594	0.3
188.04739	0.6
189.05530	3.8
190.06296	5.0
191.07092	7.7
192.07430	0.6
195.06567	2.9
203.07126	0.3
209.06209	0.3
223.07588	0.4
233.06081	0.3
235.07738	0.3
239.07220	0.5
250.06308	0.5
251.07147	2.7
252.07802	0.3
261.05655	1.5
262.06271	0.7
263.07126	0.7
265.04993	0.3
266.05887	1.3
266.09479	0.6
267.06674	6.4
267.09598	0.5
268.07190	0.8
269.08093	0.3
278.05884	0.8
279.06665	8.6
280.07056	1.1
281.08231	1.9
282.09021	4.1
283.09641	0.8
293.08179	1.8
294.09030	6.6
295.09253	0.9
296.10654	1.8
297.07764	2.7
297.11353	12.1
298.08304	0.3
298.11703	1.4
309.11414	2.0
311.09317	0.7
312.10095	15.7
313.10342	1.6
315.12488	1.5
327.12421	100.0
328.12778	11.3
341.10864	0.2
345.13483	8.6
346.13889	0.7
357.13495	22.6
358.13861	2.7
360.11890	0.2
375.14554	16.5
376.14893	1.8
447.14319	0.4
537.19836	1.7
537.26923	0.2
538.20074	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.1
59.01263	3.2
61.25718	0.1
61.98718	0.6
65.00208	0.5
68.17345	0.1
69.03339	0.3
70.96912	0.3
71.01265	1.5
71.43926	0.1
72.99195	1.5
73.02834	0.7
75.00761	26.6
77.03884	0.1
78.95798	0.1
80.02563	0.4
81.03339	0.1
83.01284	0.4
84.46097	0.1
85.02832	0.6
88.98701	0.3
89.02336	0.7
91.01791	12.3
92.02119	0.3
95.01272	0.7
96.95947	0.2
97.02843	0.2
99.00757	0.2
100.18163	0.1
101.02342	1.2
107.01331	0.2
107.04938	0.5
108.02074	15.6
109.02891	3.4
110.03209	0.1
111.00758	0.1
113.02349	0.6
119.03429	0.2
121.02869	0.7
123.00797	5.0
124.01579	0.5
125.02365	0.2
128.74162	0.1
135.00807	13.1
136.01131	0.6
137.02373	2.4
138.02771	0.2
151.03914	0.1
152.01088	16.3
153.01596	0.7
159.02936	0.2
160.01619	0.2
161.02332	0.1
161.04437	0.1
163.06102	0.2
169.06537	0.2
171.13873	0.4
197.06075	1.5
199.07645	0.5
213.05551	1.0
215.07146	0.9
223.03333	0.1
225.05563	0.3
241.05048	0.4
242.05882	0.1
243.06644	100.0
244.06978	7.7
285.04144	0.1
366.48535	0.2
429.10379	1.1
477.24164	0.2
477.30826	1.2
536.31378	0.6
537.16229	7.4
537.32941	20.9
538.16400	1.1
538.33423	1.5
561.81744	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	537.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.6
59.01262	16.1
60.99187	13.5
61.98709	1.4
63.02283	0.8
69.03336	0.5
69.45407	3.9
71.01262	7.6
72.99195	1.7
73.02821	3.7
75.00748	4.0
83.01276	0.7
85.02841	1.8
87.00815	1.1
88.98694	89.8
89.02341	5.3
89.99013	0.9
96.95918	0.8
101.02333	8.7
103.03908	1.4
103.23163	0.6
107.01302	1.0
113.02338	2.3
119.03407	2.6
125.02364	0.8
131.03419	1.2
133.02866	1.9
134.03770	0.5
143.03409	1.2
145.04953	0.8
149.02357	0.6
151.00317	2.6
163.06052	11.7
175.03938	0.6
199.03978	0.9
205.07227	3.0
217.05080	0.9
239.03415	0.6
243.02953	0.8
243.12184	0.6
256.03760	1.9
265.09299	2.1
284.03314	33.7
285.04068	64.1
286.04453	6.2
327.05164	0.6
331.17450	0.5
342.11337	0.6
345.13510	1.7
357.13550	1.9
375.13361	0.7
375.27658	0.9
433.24448	0.8
447.09384	100.0
448.09744	13.4
477.23358	3.6
478.79987	0.6
508.07602	0.8
537.33801	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	535.3138
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
55.01757	0.7
57.03339	0.7
58.00464	0.4
59.01266	17.1
60.56596	0.3
69.87255	1.6
71.01273	7.6
71.43188	0.3
72.99206	0.7
73.02840	1.8
75.00745	1.8
79.11225	0.3
83.01276	1.3
85.02842	3.3
87.00761	0.5
89.02345	3.4
95.01272	0.6
97.06501	0.9
98.19808	0.6
99.00772	0.7
101.02345	5.1
111.00690	0.3
113.02365	2.7
119.03414	0.9
123.08061	0.5
125.09643	0.9
137.09616	0.4
155.10698	0.6
171.10236	2.6
185.11829	0.5
250.39189	0.3
312.91711	0.3
327.21713	0.5
355.24896	2.3
373.26077	9.6
374.26437	1.3
517.30164	1.5
535.31354	100.0
536.31689	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	535.3136
Annotation	Glidobactin D
Peak:m/z	Relative Intensity
53.54236	0.2
55.01774	1.5
57.03341	1.0
59.01264	41.0
60.01601	0.4
69.03323	0.2
71.01268	10.0
71.12251	0.4
71.12592	0.4
71.75474	0.3
72.99213	0.8
73.02836	4.2
75.00762	1.9
83.01280	2.4
85.02839	5.3
87.00789	1.1
89.02344	2.1
95.01260	0.8
97.06466	0.3
99.00782	1.7
101.02347	10.0
111.00788	1.0
111.08032	0.3
113.02361	4.3
114.02655	0.3
119.03423	0.6
123.08076	1.1
129.01852	0.5
137.09680	0.3
141.01837	0.2
144.35005	0.3
151.10226	0.2
159.02921	1.1
161.04527	0.8
171.13881	0.3
185.11867	0.4
201.11290	0.3
215.12909	0.4
277.21771	2.0
295.22827	1.3
313.23663	0.4
343.24832	0.4
355.24835	1.9
362.19562	0.7
373.26059	3.6
374.26633	0.3
418.72324	0.3
420.25586	0.4
439.26813	1.3
457.28003	2.0
475.29318	2.7
476.29562	0.3
514.46393	0.3
517.30090	0.8
535.31329	100.0
536.31659	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	535.3136
Annotation	glas#24
Peak:m/z	Relative Intensity
55.01775	1.9
57.03329	2.2
58.00480	3.6
58.92653	0.3
59.01264	51.5
60.01609	0.5
69.96619	1.8
71.01267	33.4
72.99194	2.5
73.02831	6.3
75.00760	0.8
83.01274	3.2
83.04863	0.4
85.02837	10.5
87.00761	2.0
87.04410	0.8
89.02334	28.9
90.02670	0.4
95.01268	2.3
96.95911	2.8
97.06497	1.0
99.00785	0.9
101.02339	19.6
102.02699	0.4
109.56490	0.3
111.00827	0.4
113.01546	0.3
113.01694	0.2
113.02354	11.3
113.09626	0.9
119.03414	14.1
121.10158	0.6
123.08070	1.1
125.02328	0.6
125.09673	1.2
127.11212	0.4
129.01794	0.4
131.03470	1.3
139.11241	0.4
143.03401	2.0
143.10727	0.6
149.04495	1.2
149.09634	0.4
151.11197	0.7
153.09151	1.0
154.87750	0.3
155.10713	0.9
157.12341	0.6
159.02994	0.9
161.04501	3.2
167.10751	1.4
174.28664	0.3
179.05569	5.3
180.05856	0.4
185.11806	1.0
187.13347	2.9
207.75809	0.3
215.12898	0.8
216.13687	4.1
217.14407	0.8
226.60463	0.4
243.16046	0.5
245.17587	1.7
284.56323	0.3
287.46912	0.4
313.23898	0.4
337.23871	1.9
355.24985	2.6
356.25482	0.4
373.26010	22.1
374.26172	2.4
378.19135	0.7
408.37778	0.4
535.31342	100.0
536.31683	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	535.2418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28952	0.5
55.01794	0.5
57.03334	1.4
57.96795	0.5
57.98656	0.4
58.00468	1.5
59.01263	67.5
59.98407	1.1
60.01591	0.8
61.31868	0.5
61.98716	6.1
69.03336	2.1
69.25567	1.0
69.25970	5.0
71.01268	24.0
71.04906	0.7
72.01614	1.0
72.99196	8.3
73.02833	11.0
75.00762	90.5
76.01112	1.2
78.95759	0.5
81.03354	1.8
83.01273	3.3
83.04918	1.8
85.02843	10.6
85.99991	0.5
87.00766	3.4
88.98672	0.6
89.02332	16.4
90.02687	0.7
90.22594	0.5
95.01289	1.2
97.02858	2.2
97.06512	0.9
99.00779	1.8
99.04411	1.6
101.02341	25.3
102.02668	0.7
103.03913	15.6
113.02335	3.5
115.03911	1.0
119.03421	8.4
119.04942	0.9
125.02362	15.0
127.03951	1.9
131.03435	1.7
143.03458	2.9
145.05016	3.8
148.05205	0.6
161.04477	0.9
163.06068	27.4
164.06413	0.8
167.10724	75.9
168.11057	4.6
181.12241	0.9
205.07181	4.1
207.13936	1.6
209.11902	0.5
211.72943	0.5
247.08276	4.5
288.00769	0.5
289.09311	0.7
307.10403	15.4
308.10846	1.2
313.23978	0.8
355.24423	0.7
371.24185	1.1
372.24814	0.9
373.25497	2.0
397.44452	0.6
475.21075	2.8
475.28537	1.7
491.28763	1.0
493.28976	1.8
534.30121	5.4
535.31146	100.0
536.31616	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	533.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.6
56.68326	0.2
57.03319	0.7
58.00467	0.8
59.01262	18.0
60.01592	0.3
61.98705	0.6
69.03335	0.3
69.36060	0.9
69.36488	1.0
71.01265	9.4
71.04900	0.3
72.01591	0.2
72.99184	0.9
73.02827	1.8
75.00747	0.8
83.01273	1.5
85.02837	4.0
87.00761	0.7
89.02332	5.7
95.01259	0.7
97.06470	1.2
97.84416	0.2
99.00784	0.8
101.02339	6.4
102.02690	0.3
103.03897	0.4
113.02346	3.2
119.03401	1.9
119.04159	0.3
123.08045	0.4
125.02370	0.5
125.09622	0.3
137.09563	0.2
139.11221	1.4
143.03529	0.3
149.09558	0.3
155.10680	0.4
157.12283	0.8
161.04448	0.5
163.06076	0.4
165.12775	0.8
185.11794	7.0
185.13457	0.4
186.12109	0.4
213.11359	0.4
214.12021	1.7
215.12852	0.6
241.14415	0.4
243.15994	2.5
255.16028	0.6
305.21494	0.2
307.10306	0.4
311.22406	0.5
335.22290	0.5
341.23398	1.6
353.23370	3.8
354.23785	0.7
355.25201	0.3
371.24417	12.8
372.24875	1.9
372.29288	0.3
473.24066	2.7
474.24472	0.5
491.27115	0.4
515.28680	1.1
533.29742	100.0
534.30103	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	533.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49174	0.1
55.01759	0.6
57.03329	1.0
58.00478	0.8
59.01264	17.5
59.26953	0.1
60.01602	0.2
61.98715	0.4
71.01268	10.1
71.04903	0.4
72.01599	0.2
72.99196	1.9
73.02833	3.0
75.00761	2.1
83.01265	1.6
83.04914	0.3
85.02841	3.4
87.00780	0.9
87.04403	0.4
89.02334	5.4
90.02677	0.2
95.01290	0.8
96.95910	0.5
97.06509	0.7
99.00793	0.7
101.01701	0.3
101.02346	5.8
102.02650	0.2
111.00809	0.2
113.02359	3.0
113.05913	0.1
114.02625	0.2
118.41553	0.1
119.03416	1.4
123.08039	0.6
125.02318	0.1
125.06015	0.1
125.09644	1.2
131.03406	0.3
137.09618	0.5
139.11217	0.7
141.09111	0.4
141.12762	0.2
143.03456	0.2
143.10712	0.3
149.04529	0.2
149.09692	0.2
149.96037	0.1
151.11183	0.2
153.09164	0.3
155.10794	0.3
157.12299	0.3
161.04509	0.2
169.12279	0.2
171.10226	3.1
172.10529	0.3
179.10718	0.2
185.11797	2.4
197.15331	0.2
199.09692	0.2
200.10379	0.4
213.11310	0.3
214.12076	0.6
215.12820	0.5
243.16016	0.8
255.16170	0.2
281.17560	0.3
311.22321	0.5
316.04315	0.2
317.21176	0.2
318.20975	0.2
323.22440	0.3
335.22394	0.4
341.23346	1.8
342.23682	0.2
353.23373	4.7
354.23770	0.6
355.24988	0.5
371.24445	12.3
372.24692	1.5
390.18903	0.2
458.91641	0.2
473.27704	0.2
489.10434	0.2
491.27496	0.2
515.28656	1.3
533.29767	100.0
534.30115	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	533.298
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95490	0.2
55.01759	0.6
57.03330	0.8
58.00473	0.4
59.01265	13.1
60.01593	0.2
61.98706	0.3
69.03334	0.3
69.49193	0.3
69.49603	1.3
71.01270	7.8
71.04903	0.4
72.01638	0.2
72.99203	1.1
73.02840	2.2
75.00771	0.9
77.09420	0.2
83.01266	1.3
85.02844	2.9
87.00768	0.7
87.04417	0.3
89.02341	4.5
95.01282	0.8
96.95923	0.5
97.02856	0.2
97.06457	0.4
99.00767	0.4
101.01699	0.4
101.02346	5.1
101.06026	0.2
111.00787	0.3
113.02356	2.5
118.17933	0.2
119.03428	1.3
123.08080	0.3
125.09624	1.2
129.06544	0.2
137.09622	0.2
139.11212	0.5
143.10722	0.2
153.09109	0.3
155.10750	0.3
157.12192	0.2
159.77129	0.2
161.04465	0.3
171.10225	2.5
185.11809	1.5
202.78819	0.2
214.12053	0.2
215.12917	0.4
227.12721	0.2
231.13910	0.2
243.16083	0.6
250.95320	0.2
281.17630	0.3
323.22433	0.3
332.45071	0.2
333.27313	0.2
335.22360	0.3
341.23349	1.8
342.23795	0.3
353.23441	3.9
354.23639	0.5
355.24887	0.4
369.22638	0.2
371.24442	11.4
372.24765	1.7
390.18744	0.2
414.57578	0.2
429.60715	0.2
431.08673	0.2
515.28613	1.2
533.29779	100.0
534.30139	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	533.2979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01788	0.6
57.03339	1.3
58.00481	0.7
59.01263	17.7
60.01597	0.3
61.98723	0.6
64.35851	0.3
69.03334	0.3
71.01267	9.4
71.04937	1.4
71.05360	0.5
72.28624	0.3
72.99197	1.2
73.02831	7.3
75.00751	2.3
76.62415	0.3
78.95775	0.4
83.01277	1.0
83.04928	0.9
85.02835	3.9
87.00773	2.5
87.04401	1.1
89.02343	4.6
93.07024	0.6
94.11664	0.3
95.01260	0.6
95.04942	0.5
96.56863	0.4
96.95911	0.5
97.06482	1.2
98.69981	0.3
99.00803	0.6
101.02347	4.9
109.06561	0.5
113.02373	2.6
119.03428	1.7
123.08053	1.1
125.09638	3.5
129.05490	0.6
139.11200	1.1
141.09178	0.8
141.12799	1.0
143.10710	0.6
151.11188	0.5
153.09120	0.9
153.12796	0.5
155.10728	0.7
169.12302	0.6
171.10236	6.1
172.10596	0.5
185.11804	1.0
197.11845	0.5
200.10635	0.3
209.49068	0.4
211.17033	0.6
213.11269	0.5
215.12755	0.6
227.12852	0.7
227.61444	0.3
228.13779	0.8
233.06253	0.4
243.15894	0.4
245.13994	1.1
251.12729	0.4
260.95486	0.4
269.14041	0.3
311.22269	0.4
323.22284	1.9
325.23972	0.5
335.22281	0.5
341.23438	6.5
342.23709	0.7
343.25064	0.6
353.23380	7.0
354.23801	1.1
355.24991	0.7
369.22766	1.2
371.24445	50.0
372.24725	5.6
373.26031	1.7
413.25571	0.5
417.24948	0.4
473.27139	0.5
503.28912	0.6
515.28766	1.2
533.29749	100.0
534.30109	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	533.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33445	0.4
57.03329	2.3
59.01259	25.1
60.01595	0.5
60.52763	0.4
61.01683	0.6
63.02276	1.1
65.00204	0.9
69.03332	2.1
71.01258	4.8
71.04913	1.9
71.66245	0.4
72.99196	2.8
73.02828	0.9
75.00763	5.9
77.37678	0.4
83.01254	1.5
83.04888	1.6
85.02823	1.4
87.04415	0.7
89.02328	5.3
95.01197	0.6
97.06468	0.5
101.02332	2.6
103.00264	0.8
106.09149	0.4
107.01308	2.3
107.04955	0.5
107.08538	1.0
108.19257	0.4
109.02824	1.1
109.06454	1.0
113.02348	2.6
117.01827	0.8
119.03397	2.2
121.02902	0.6
123.00732	0.4
125.02359	0.5
133.02873	4.4
133.06499	0.5
134.03624	1.3
135.04422	0.4
135.08072	0.6
137.02332	0.4
145.81662	0.4
149.02310	1.2
151.00293	5.8
151.07567	1.0
165.12769	0.4
166.05064	3.1
167.05342	0.4
175.03918	1.7
179.05585	0.9
179.14325	2.6
184.82971	0.4
198.02989	0.5
199.03906	2.2
200.04773	0.7
201.01764	0.6
203.10663	0.7
205.12343	0.9
209.11784	0.9
211.04027	1.3
217.05016	0.9
221.11845	3.3
222.12119	2.1
223.13411	13.7
224.13724	0.7
227.03455	1.6
228.04213	0.5
239.03481	0.9
239.12859	1.1
240.13239	0.6
241.05028	0.7
243.02911	0.7
247.13579	2.1
255.02956	1.1
256.03775	4.7
257.04205	0.9
265.10880	0.9
266.11053	0.8
267.12384	3.6
269.04541	0.7
283.11713	0.5
284.03299	67.0
285.04056	97.5
285.13315	4.7
286.04416	8.7
291.12375	1.1
297.03998	0.6
299.05576	0.6
309.13321	1.8
323.70325	0.5
325.13010	2.0
326.13354	2.4
327.05209	1.5
327.14502	17.9
328.14728	1.4
348.48810	0.5
356.07724	0.5
357.08316	0.7
371.11377	0.7
433.76224	0.5
447.09390	1.8
447.18582	1.6
461.24628	0.4
489.10461	100.0
489.19043	5.9
490.10828	15.6
490.18622	0.7
490.20242	0.6
533.29883	1.9
534.28424	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62030	0.2
53.44007	0.2
54.55941	0.2
59.01261	3.9
61.98716	0.4
63.02277	0.3
65.00201	0.8
69.51876	0.9
69.52300	0.8
70.92790	0.2
71.01265	1.7
73.02821	0.4
75.00747	0.4
83.01272	0.6
85.02830	0.6
87.04405	0.2
89.02325	1.0
98.19804	0.4
101.02332	1.0
103.10857	0.2
107.01291	2.0
113.02308	0.7
119.03387	0.3
133.02867	8.8
134.03174	0.4
145.50943	0.2
149.02338	1.9
150.27725	0.2
151.00296	5.5
152.00636	0.2
169.06624	0.3
169.24870	0.2
171.04538	0.4
175.03961	3.4
185.06117	0.2
187.42899	0.2
197.06020	0.2
199.03978	2.7
201.01962	1.0
213.05507	0.4
215.03450	0.4
217.05055	1.7
223.03976	0.3
228.04446	0.2
241.05043	0.9
243.03136	0.4
256.03787	1.4
257.04495	0.6
283.02679	0.2
284.03320	3.0
285.04086	100.0
286.01230	0.5
286.04431	9.9
371.24402	0.8
381.90814	0.2
429.08301	0.5
447.09308	0.3
489.10477	24.1
490.10846	3.9
515.28406	0.4
533.29773	4.6
534.30359	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.173
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
57.50215	1.4
58.93719	1.4
59.01265	100.0
60.01601	1.8
63.35305	1.4
69.03316	1.7
69.66743	8.8
71.01265	13.7
71.04898	5.6
72.99191	9.5
73.02838	2.3
75.00767	16.0
82.60410	1.7
83.04907	16.9
84.82007	1.6
84.91286	1.7
85.02843	5.6
87.00755	2.0
87.04416	2.0
89.02341	13.5
99.04407	3.6
101.02347	9.9
103.00257	3.0
107.04954	2.4
107.08577	16.1
109.06469	4.4
113.02370	10.0
117.01837	3.1
118.27317	1.4
119.03403	6.8
119.04185	1.9
119.49722	1.5
123.24252	1.4
125.06007	2.0
133.06490	5.0
147.24437	1.5
151.07628	9.6
159.11745	2.0
161.04465	2.7
161.09662	4.3
166.05042	4.5
170.07292	1.6
173.53255	1.5
175.07579	4.2
175.11206	5.7
177.09143	3.0
177.12802	4.2
185.09657	2.5
189.09171	1.8
203.10789	9.8
207.10229	2.5
221.11819	53.5
222.12151	4.7
239.12910	12.7
245.11745	4.5
247.09650	2.0
260.23581	1.4
263.12845	4.4
265.10840	16.5
281.14026	4.1
283.11890	7.1
307.12076	10.7
325.12988	62.2
326.13251	7.0
338.06973	2.0
338.88934	1.7
355.08340	2.6
356.07642	1.7
399.63251	1.5
420.54733	1.5
445.17255	8.3
487.18179	22.0
488.18738	3.6
531.28198	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	531.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59891	0.8
57.03329	2.6
57.66926	0.9
58.00480	1.1
59.01263	100.0
69.03345	1.5
70.61359	2.6
71.01263	13.2
71.04900	4.8
72.99189	10.6
73.02824	2.1
73.57962	0.8
75.00356	1.8
75.00759	21.0
83.01273	1.1
83.04911	22.5
83.05383	1.8
85.02847	3.6
87.00748	1.3
87.04390	1.4
88.78120	0.9
89.02338	13.1
95.01279	1.6
95.04922	1.5
96.95932	1.1
99.00794	1.6
99.04411	1.6
101.02334	7.9
103.00245	2.7
107.04926	4.0
107.05638	1.1
107.08575	9.5
109.06498	5.9
113.02332	8.3
117.01839	4.6
119.03402	5.2
120.05722	1.2
131.03403	1.9
133.06514	7.1
133.10072	1.4
149.09665	0.9
151.07573	3.7
151.44730	1.1
159.08067	1.4
161.04512	1.4
161.09671	5.0
162.10098	1.2
163.11171	1.4
170.07401	1.2
171.33661	1.1
175.07675	1.8
175.11282	5.3
177.12843	5.7
179.05466	2.3
185.09674	7.8
189.09117	2.8
203.10773	13.1
207.10298	2.9
221.11833	33.7
222.12140	2.1
239.12932	19.2
245.11777	3.0
247.09895	1.6
263.12833	2.6
265.10880	18.5
266.11142	1.4
281.13989	7.7
283.11902	12.0
307.11902	8.4
325.12988	42.4
326.13336	3.8
367.14044	2.0
445.17145	12.0
446.17001	1.7
458.84015	1.1
487.18375	16.4
488.18851	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	531.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	3.1
59.01266	100.0
65.34577	1.9
65.98808	1.7
68.49536	1.9
70.13702	10.1
70.63036	2.3
71.01263	14.7
71.04900	4.5
72.99205	11.7
73.02836	3.2
75.00761	26.9
83.04905	20.4
83.45895	1.8
85.02834	5.1
87.00773	2.2
89.02348	15.0
95.04903	2.8
98.19849	2.4
99.04412	2.4
101.02348	9.5
103.00280	3.4
104.15007	2.1
105.60883	1.8
107.04949	4.4
107.08562	11.8
107.89897	1.8
109.06490	4.4
113.02357	7.5
117.01809	4.6
119.03412	5.6
133.06516	11.8
151.07555	6.6
155.16818	1.8
161.04501	2.3
161.09647	4.5
175.07590	2.6
175.11194	9.6
177.12794	6.8
185.09682	9.2
189.09206	2.7
203.10756	16.2
207.10126	3.0
221.09830	3.6
221.11819	39.7
222.12160	2.8
239.12936	20.9
245.11850	4.0
263.12906	5.7
265.10895	24.0
281.13928	7.9
283.12027	15.8
307.11945	14.7
325.13025	46.3
326.13446	4.5
337.81870	2.2
445.17303	12.9
487.18295	17.7
488.18542	3.4
490.15002	2.3
514.14526	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	530.3031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92767	0.5
54.83553	0.5
59.01250	2.1
61.98701	2.3
71.57415	0.7
78.95331	0.9
78.95789	17.6
95.90068	0.6
96.95872	0.5
100.37210	0.5
152.99487	2.8
168.04182	2.6
220.35817	0.5
224.06955	7.8
242.08014	1.3
252.48692	0.5
255.23325	100.0
256.23648	8.5
262.16086	0.6
270.04877	0.6
277.21866	1.1
480.31049	70.5
481.31351	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	531.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.7
58.00482	1.8
59.01262	100.0
60.01601	1.6
69.03340	2.8
71.01276	11.8
71.04906	4.4
72.99187	8.4
73.02829	1.3
75.00758	17.2
82.95313	5.5
83.01271	1.3
83.04913	12.8
85.02852	3.3
87.00775	1.3
87.04411	1.7
89.02331	11.9
95.01278	1.3
95.04932	1.7
96.95895	1.1
99.00736	1.2
99.04441	2.4
101.02328	7.5
103.00279	2.4
104.69224	1.2
105.07001	1.4
107.04932	2.6
107.08568	11.6
109.06492	3.0
113.02351	6.2
117.01859	4.0
119.03407	8.1
133.06560	7.2
149.04436	1.3
149.09579	1.4
151.07593	7.6
159.08150	1.5
161.04475	1.8
161.09666	4.3
163.11255	2.0
172.18111	1.0
175.07619	2.7
175.11189	5.3
177.09134	1.3
177.12814	3.3
179.05518	4.4
185.09721	5.3
201.12991	1.0
203.10721	10.5
207.10281	2.5
208.10480	1.0
221.11816	51.5
222.12180	4.4
229.40977	1.1
237.11382	2.3
239.12904	14.2
245.11903	2.4
263.12918	4.1
265.10806	16.2
281.13876	4.9
283.11981	7.5
284.03317	4.9
285.04111	15.7
307.11948	7.2
325.12970	57.1
326.13370	6.7
367.14362	1.5
445.17297	6.0
447.09381	9.7
487.18320	21.6
488.18643	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	529.3032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79570	0.2
55.01760	0.3
57.03328	0.5
58.00478	0.3
59.01260	7.9
61.98740	0.3
66.94640	0.2
69.03353	0.3
69.70100	1.3
71.01267	5.3
72.99203	0.5
73.02837	0.8
78.95812	0.2
83.01273	0.5
83.21648	0.2
85.02843	1.1
87.00786	0.8
89.02338	5.5
90.02685	0.2
95.01310	0.4
96.95911	0.2
97.02862	0.2
98.19804	0.4
99.00790	0.4
101.02347	6.0
111.08075	0.4
113.02351	3.2
113.09669	0.3
119.03415	1.6
125.02399	0.2
131.03413	0.3
143.03439	0.7
152.91823	0.2
152.99518	0.3
161.04510	3.1
166.53098	0.2
167.10725	0.4
169.12230	0.2
179.05582	0.9
179.14352	0.8
181.12256	0.3
195.13882	9.1
196.14294	0.9
205.12340	0.8
205.15955	0.5
211.13385	0.8
223.13387	5.8
224.13817	0.6
228.13681	0.7
231.21193	0.3
235.08282	0.5
235.17125	0.4
253.09323	32.5
254.09666	2.2
256.13254	1.2
265.21860	0.4
269.04483	0.2
275.20209	7.0
276.20544	0.6
287.67783	0.2
293.21283	100.0
294.21619	11.4
492.22180	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68979	0.5
57.03323	1.1
57.90214	0.6
59.01262	100.0
60.01595	1.4
61.98721	2.4
66.88570	0.5
69.03351	1.0
70.96207	1.7
71.01266	19.0
72.99191	2.2
73.02833	21.8
75.00763	7.4
76.49590	0.6
79.68078	0.6
83.01289	5.6
83.04926	1.0
85.02847	3.6
87.00753	1.8
87.43549	0.6
89.02336	5.6
97.02851	0.6
97.93098	0.6
99.00771	1.1
99.18268	0.6
101.02351	15.5
109.06556	0.6
111.08040	4.7
113.02330	4.8
119.03392	1.0
125.02363	1.5
127.03911	0.8
139.07623	1.3
143.03455	0.8
143.25568	0.5
151.07600	1.9
161.04518	1.4
201.16512	0.8
209.11826	0.6
219.17558	1.1
221.15443	3.2
222.15919	0.6
258.42188	0.6
263.16577	9.6
264.16922	1.2
265.18240	0.7
281.17722	0.7
313.19818	0.7
326.03311	0.7
360.13089	0.6
420.27637	0.6
425.21674	2.2
443.23016	3.2
449.17206	0.7
464.80923	0.6
467.23154	4.7
485.24002	92.0
486.24377	13.9
529.25909	4.7
530.27533	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.2
57.03336	2.3
58.00491	1.5
59.01264	100.0
60.01590	0.7
61.98716	5.5
69.03340	1.4
71.01272	19.2
71.04902	1.2
71.56838	1.2
72.01620	0.8
72.99192	3.1
73.02830	17.1
75.00757	10.5
81.03383	0.8
83.01273	5.3
83.04933	3.2
85.02843	5.5
85.06487	0.9
87.00787	1.7
89.02342	6.9
95.01305	1.2
95.04904	0.7
96.95934	2.6
97.02864	0.9
97.06501	1.4
99.00776	1.4
99.04427	1.3
101.02351	12.4
109.06534	1.4
111.04451	1.0
113.02385	5.4
119.03440	2.9
123.08059	1.5
125.02401	1.9
125.06019	0.9
125.09643	1.0
126.85523	0.8
127.03932	6.2
127.07577	2.3
136.05243	3.1
137.06041	1.3
139.07568	4.9
143.03485	0.9
151.07591	14.7
158.93652	0.7
161.04541	1.7
165.05544	0.9
169.08720	1.0
209.11841	2.0
217.54915	0.7
236.12741	0.7
263.16525	5.4
285.04126	0.8
307.19315	0.8
327.21899	0.8
329.35849	0.7
401.25592	0.8
425.22104	2.0
441.36194	1.2
443.22916	3.5
467.23172	4.4
467.33752	6.6
469.28503	0.8
485.24020	71.2
485.34698	9.4
486.24283	10.4
486.35825	0.8
529.27179	5.1
530.30017	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	529.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04275	1.8
51.61189	2.3
56.77653	2.1
57.03340	2.9
59.01052	1.9
59.01270	24.4
61.98703	9.2
63.02279	3.4
65.00211	4.9
69.03350	2.6
71.01280	15.2
71.04912	4.6
71.56313	3.6
72.99191	7.8
75.00759	12.7
78.95782	5.7
82.95321	14.6
83.00014	2.3
83.01296	2.7
85.02842	19.1
87.00774	3.4
89.02342	4.3
89.61617	2.0
89.98394	2.2
95.01279	6.7
96.95906	8.0
97.06406	2.1
99.00782	6.8
107.01293	7.5
109.02850	2.4
111.00794	4.2
113.02368	34.5
117.01894	2.4
117.03342	4.0
121.02895	3.2
125.02367	9.7
139.00259	2.5
151.00307	15.9
152.99510	3.2
156.39812	2.2
160.95584	2.5
161.02365	2.3
169.01358	5.3
175.02382	9.9
175.03758	2.7
178.99808	18.4
181.01503	2.4
185.11763	2.9
191.03418	14.0
193.01411	2.8
209.00919	3.0
262.44833	2.4
269.04614	100.0
270.04971	6.0
285.04080	6.2
301.03378	2.8
301.20224	12.6
311.05667	12.1
335.06808	9.2
336.05099	3.2
353.07779	8.9
354.06491	3.0
367.06973	3.2
445.07797	23.4
486.26816	2.5
509.25302	2.6
529.10986	3.9
529.24292	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	528.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12709	1.3
52.19087	1.3
58.02859	4.9
59.01267	17.8
61.98717	4.7
70.86269	1.4
71.01273	6.6
71.56449	1.5
71.56836	1.6
73.02843	1.4
75.00761	7.7
79.61594	1.5
80.96442	3.4
83.01288	1.9
83.04908	2.0
85.02856	2.7
89.02345	2.8
95.04958	3.1
96.95901	11.1
98.02324	1.6
98.20168	1.7
99.00781	1.7
100.15847	1.4
101.02348	4.4
102.01901	7.9
103.81006	1.4
110.02419	2.1
110.06032	9.9
112.03946	4.4
113.02334	3.1
118.06522	5.6
122.06041	25.8
123.03194	13.5
123.06425	2.3
124.03986	9.3
125.02389	2.0
130.87216	1.4
138.05540	39.7
139.05838	2.1
140.04568	1.9
140.07120	3.6
141.01631	11.0
144.04498	10.5
146.06050	92.9
147.06432	3.4
161.04610	1.8
162.05574	7.5
172.03996	6.3
173.04758	4.6
174.05612	4.3
175.02449	2.0
182.04553	4.1
184.06114	4.3
188.03477	5.9
190.05153	1.7
203.05872	23.8
204.06602	19.8
205.07405	49.4
206.08086	6.2
208.06096	8.8
219.05370	6.9
220.06161	2.0
223.06189	3.4
236.05681	5.6
237.06430	37.6
238.06876	3.6
253.09828	4.7
267.11453	3.5
268.12164	2.5
279.07837	2.5
283.10867	3.3
284.12805	2.1
293.09338	2.4
294.10233	3.7
295.10941	10.2
313.12015	20.5
314.12402	2.4
315.13565	29.3
316.14017	1.8
325.11951	8.7
327.13538	100.0
328.13892	12.4
343.13022	15.3
345.14618	42.5
346.14877	3.5
409.17661	2.2
434.17615	8.0
435.17624	1.9
452.18396	17.4
453.17508	2.7
456.18060	3.5
466.19904	3.1
471.69934	2.0
478.16302	5.2
484.21017	5.4
496.17383	35.6
497.17728	5.8
510.19119	11.1
511.19327	3.5
528.20001	41.1
528.29077	5.8
529.20044	10.8
543.36017	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08144	0.8
55.01742	1.7
57.03320	2.8
59.01261	18.8
61.98717	10.3
69.03316	1.5
71.01270	8.2
71.04924	5.4
71.56020	1.8
73.02836	1.6
75.00756	11.3
80.02556	1.7
81.03337	1.9
83.01244	1.6
83.04926	9.0
84.02050	1.0
85.02826	1.6
87.00764	3.3
87.04398	1.6
87.22038	1.0
88.50032	1.0
89.02301	1.9
95.04892	2.1
97.02874	5.2
97.06472	5.4
99.00777	25.3
99.01424	1.3
101.02304	2.7
107.72494	1.0
109.06459	1.9
111.04411	1.5
111.08042	1.1
113.02357	1.3
115.07495	1.2
115.53349	1.1
123.08021	2.9
125.02332	1.6
125.09630	14.8
127.11202	1.1
128.10759	1.1
133.02769	1.4
135.08058	1.8
136.05237	1.4
140.10744	5.2
142.02611	2.4
147.04427	2.4
148.05225	3.3
153.12752	1.4
160.25568	1.0
161.02339	1.2
161.09627	1.4
163.03923	1.7
163.10008	1.7
163.11232	21.7
164.11592	1.0
165.12758	3.0
167.14330	1.1
171.10179	10.6
181.12300	47.6
182.12599	2.8
191.03461	1.6
191.10747	1.3
196.05190	1.0
197.11768	1.7
199.13365	12.8
201.11308	2.7
207.10249	37.8
208.10616	4.8
209.11812	100.0
210.12157	7.4
211.13367	2.8
214.21904	1.1
225.11320	77.5
226.11681	5.9
227.10747	1.6
227.12868	18.6
243.12404	47.0
244.12901	4.8
246.22229	1.7
251.12717	1.1
256.97940	1.1
291.19736	1.6
299.15097	8.5
308.22202	1.9
317.16104	37.8
318.16254	3.2
326.23389	1.8
424.30826	6.1
451.21130	1.2
467.33432	1.2
483.33093	2.4
499.80704	1.2
509.27716	8.0
510.29636	1.7
527.28577	73.0
528.28967	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	527.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27982	0.2
57.03323	0.2
59.01269	1.0
61.98724	0.5
63.96124	0.6
64.96920	0.3
69.03332	0.6
69.67089	0.6
69.67503	0.7
71.01272	5.0
72.99173	0.3
73.02838	1.4
75.00773	1.0
78.98476	4.4
79.95624	6.5
79.96103	0.4
80.96407	43.5
81.03333	0.8
83.01286	0.2
83.04906	0.3
85.02833	2.1
87.00764	1.6
94.97982	10.7
95.01253	0.4
96.95911	1.1
97.02837	1.3
98.20517	0.4
99.00770	0.6
99.04408	0.3
101.02339	2.0
106.97982	2.2
113.02309	0.4
113.36534	0.2
114.05547	0.2
122.97491	4.0
125.02373	2.4
127.03938	0.6
134.97498	3.3
136.99089	1.0
146.97481	0.3
148.99077	4.6
152.98567	5.6
161.72958	0.2
164.98576	8.9
167.00110	0.5
174.34605	0.2
182.99638	1.9
188.98506	0.3
206.99658	2.0
209.11795	2.6
210.12192	0.2
225.00745	17.8
226.01082	0.8
243.01776	1.7
285.04156	0.4
299.04449	2.5
317.05847	0.3
527.18134	100.0
528.18463	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	527.2878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16588	1.2
57.03331	1.4
59.01263	9.4
61.98722	3.2
63.22602	1.1
71.01270	56.4
71.04908	1.4
71.56815	1.1
72.25587	1.1
72.91775	1.3
72.93100	1.1
72.99191	1.3
73.02847	3.0
74.63296	1.3
75.00764	4.1
75.92094	1.3
78.95772	1.3
80.02549	1.8
81.03339	3.1
83.04922	9.2
84.02039	1.3
85.02848	2.0
87.00764	1.4
93.03327	1.9
95.04888	2.1
97.06480	1.3
99.00768	3.1
104.77246	1.2
109.02885	2.0
109.06506	3.4
111.04436	1.9
113.02317	2.1
115.64069	1.2
115.98686	1.2
123.08050	1.2
125.09615	4.3
127.11166	2.2
135.04384	1.3
139.07625	1.5
151.07542	1.4
155.10689	1.9
163.11235	8.5
165.09198	2.0
165.12793	3.1
169.12302	1.9
169.79384	1.2
171.10220	33.8
172.10583	1.5
181.12292	3.9
185.11801	3.7
189.12868	2.1
191.10596	1.7
197.11821	3.4
201.11296	25.8
202.11429	1.6
207.10208	8.0
209.11813	100.0
210.12148	8.4
211.13429	2.7
215.12750	1.4
223.13380	3.9
225.11334	21.0
227.12857	8.8
233.11679	2.4
235.13400	2.0
239.12798	2.2
243.12315	2.8
251.12901	17.8
252.13316	1.8
263.12982	3.0
269.14059	1.5
281.14066	2.8
291.19742	4.8
375.22083	1.5
375.27307	1.2
417.22726	1.7
453.24881	2.3
467.06250	2.2
471.11374	1.3
473.25919	1.8
491.26587	4.7
509.27780	6.3
518.85913	1.6
527.28516	13.0
528.28986	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	526.1839
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	6.6
60.18823	0.6
61.98689	2.7
61.98969	0.6
71.01268	4.0
71.57153	0.9
71.57504	0.7
72.31117	0.6
72.99168	1.3
75.00365	1.0
75.00764	14.1
78.95797	0.8
80.96429	3.4
85.02834	1.1
87.00742	0.9
89.02338	1.6
93.68601	0.7
96.95893	2.8
97.71469	0.5
99.00726	0.8
101.02314	1.3
113.02334	1.5
115.00241	0.8
117.01839	0.9
133.03938	0.7
135.04462	0.6
136.07610	0.8
138.96973	0.7
149.04596	0.8
150.05528	1.8
150.09180	4.7
157.03983	1.4
158.06001	0.8
159.01909	1.4
171.00705	0.9
171.05536	1.5
172.07547	0.9
173.07190	1.3
174.05571	1.4
175.02438	2.0
176.07149	1.1
177.03113	0.7
184.07674	0.8
185.03528	1.3
185.07159	0.8
186.04195	1.2
187.01459	9.8
187.05067	1.6
188.07141	0.8
192.10260	0.9
192.98183	0.6
199.05099	5.4
200.02190	3.8
200.05382	0.7
201.06721	2.9
203.04617	0.7
203.07268	0.7
204.01712	1.4
212.05687	0.7
213.03014	1.0
213.06656	1.4
215.04637	2.0
215.08237	0.7
227.04613	4.5
227.08234	2.3
228.01700	1.3
229.06117	3.7
230.06851	1.2
231.07655	2.0
239.08252	1.4
240.03140	1.3
240.06920	0.9
241.06235	5.1
241.09946	0.9
242.04713	1.1
242.07001	2.2
243.04030	3.4
243.11005	0.8
244.06192	1.2
254.04552	2.0
254.98239	4.5
255.04079	0.7
255.04808	0.9
255.07724	16.3
255.98428	2.1
256.08148	2.2
257.05682	10.4
258.06442	5.2
259.07202	1.8
265.06281	3.0
268.05063	1.9
269.05746	6.8
269.08856	1.0
270.10016	1.4
283.07288	86.9
284.07693	11.6
285.08783	1.3
289.08411	0.8
290.09143	1.0
297.08774	1.9
298.09589	3.3
299.13950	0.8
311.06805	6.1
312.07147	1.1
315.06277	1.7
325.08331	5.9
326.09131	21.1
327.09662	2.7
378.14401	0.9
447.16724	1.4
450.16791	100.0
451.17151	17.1
465.18030	0.9
467.06171	0.9
525.28070	0.8
526.18427	81.7
527.18622	17.8
527.25848	1.0
546.94464	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2716
Annotation	Chlamydocin
Peak:m/z	Relative Intensity
53.56332	0.6
57.03331	1.1
59.01262	6.7
61.98708	0.7
67.01796	0.6
68.99709	1.2
69.03344	6.8
69.34558	4.5
69.34966	1.4
71.01271	4.3
71.04905	3.4
72.16938	0.6
73.02853	0.7
75.00777	3.2
80.02564	1.2
80.96403	0.9
81.03320	2.8
83.01283	2.6
83.04919	8.5
84.02068	2.0
85.02838	1.3
89.02328	0.8
95.01299	0.7
95.04939	1.9
96.95928	1.1
97.02857	0.9
97.06493	2.7
98.19807	0.8
99.00785	1.6
101.02334	0.9
109.02876	0.6
109.06504	1.6
111.04419	1.5
111.08052	0.6
113.02346	0.9
115.00274	1.2
121.06458	0.7
123.08080	2.5
125.05956	0.9
125.09643	6.0
135.04492	0.6
135.08060	1.1
137.09662	1.2
148.05206	1.3
149.09625	1.3
151.11212	4.7
151.41016	0.5
153.12772	1.5
161.09665	8.8
163.11250	6.0
165.12805	3.5
171.10210	2.9
175.02438	1.5
179.10733	28.0
180.11066	1.8
181.12315	2.0
185.11810	1.6
191.03456	1.0
191.10771	1.2
197.11804	90.8
198.12158	6.3
207.10236	2.3
209.11813	75.9
210.12119	5.1
211.13469	0.5
223.07841	0.7
223.09753	4.8
225.11339	2.9
227.12872	8.8
228.13203	0.7
234.83119	0.6
241.10846	12.7
242.11061	0.7
248.58870	0.6
254.98164	4.4
255.98486	0.8
289.18219	1.7
297.13461	6.0
315.14542	18.4
316.14841	1.8
341.23230	0.8
348.19626	0.6
371.15128	0.9
376.73383	0.6
389.23447	0.9
397.76627	0.6
463.27014	1.8
507.25897	3.2
525.27124	100.0
526.27429	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	525.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48088	0.6
55.01772	0.8
57.03330	1.9
58.00474	3.8
59.01261	100.0
60.01574	1.1
61.98708	1.6
64.67356	0.5
70.49336	0.9
70.49702	2.2
71.01267	64.7
72.01606	0.8
72.99194	3.6
73.02830	8.0
75.00762	8.9
79.95634	1.0
80.96412	3.2
83.01271	2.7
85.02359	0.8
85.02841	8.7
85.58383	0.5
87.00755	6.2
88.98720	1.0
89.02333	95.6
90.02672	1.6
96.95909	2.9
99.00755	1.7
99.04416	0.7
101.02343	50.2
102.02682	1.3
103.00238	0.7
113.02356	13.1
115.00280	2.7
119.03406	6.5
125.02377	1.8
131.03421	34.5
132.03746	1.2
138.96959	0.9
143.03421	1.6
149.04495	95.0
150.04800	3.0
157.06522	1.0
161.04451	3.3
175.02475	3.4
175.78218	0.6
191.05588	18.8
197.11815	0.9
251.07825	1.1
254.98172	10.0
293.08823	1.7
311.09882	4.1
329.51215	0.6
362.31265	0.8
449.27136	0.6
524.35089	0.8
525.27435	2.9
525.35236	1.4
526.27911	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2561
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49465	0.9
53.68718	1.1
55.01766	1.2
57.03337	1.9
58.00480	2.0
59.01264	99.4
60.01600	1.1
61.98711	7.8
70.84943	1.4
70.85279	2.0
71.01269	77.4
71.69444	1.0
72.01581	1.2
72.99198	4.2
73.02832	10.7
75.00761	17.9
77.02330	1.5
79.95631	3.3
80.96407	10.0
83.01286	4.6
85.02835	14.3
87.00762	8.2
89.02336	96.9
90.02674	1.0
95.01276	1.7
96.95911	9.1
97.02884	1.0
99.00776	2.0
101.02347	58.0
103.00318	1.4
103.03921	2.5
113.02351	20.6
115.00266	8.5
115.03933	1.1
119.03413	9.3
125.02361	0.9
131.03427	36.2
138.97003	1.7
143.03448	3.3
149.04498	100.0
150.04733	1.0
157.01357	1.4
157.06517	2.7
158.87370	0.9
161.04515	4.5
166.96478	1.9
175.02422	13.7
180.06711	0.9
191.05589	19.4
192.05730	1.0
192.98154	2.9
197.11853	1.7
253.09245	1.2
254.98181	39.1
255.98560	1.7
283.07263	5.3
293.08844	2.4
311.09875	2.2
319.11932	8.1
450.16537	6.5
465.17783	14.3
465.23880	1.2
466.18042	2.4
525.27490	10.1
526.18634	5.3
526.27423	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	525.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67924	2.2
57.03322	2.1
59.01266	79.5
61.98728	5.3
64.00528	2.5
64.97488	2.6
71.01272	52.0
71.56042	2.5
72.99205	10.4
73.02838	30.0
75.00777	15.9
79.95634	2.6
80.96407	11.3
85.02846	18.5
87.00767	17.6
87.04393	4.7
88.98718	3.0
89.02339	24.6
93.03336	17.0
96.95904	19.1
98.02371	7.0
101.02349	52.5
103.03918	16.9
108.02077	7.4
110.02411	2.9
111.04473	4.5
113.02373	11.9
115.00283	11.4
115.03948	6.5
119.03418	10.8
121.02875	100.0
122.03305	2.2
122.03666	2.5
123.04453	7.6
125.02378	7.7
130.08672	6.1
131.03436	13.0
134.03651	11.2
135.04446	4.6
137.02371	3.6
139.03941	13.0
143.03441	12.8
145.05006	4.1
146.03673	14.7
149.06024	18.9
150.03156	3.3
161.04636	2.8
161.05977	5.9
163.06070	47.3
164.04720	3.9
165.05540	19.0
166.06181	6.6
167.07083	63.3
168.07455	4.4
175.02396	14.4
179.05656	3.8
179.07111	35.3
182.04523	2.3
192.98152	2.9
205.07170	21.6
221.08209	5.3
254.98199	39.3
285.09796	2.8
315.12463	14.3
327.12524	4.1
328.67493	2.8
343.35919	2.4
345.13553	7.6
350.42239	2.2
363.14594	8.8
413.79987	2.8
431.15588	14.9
525.29626	12.9
526.26416	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	525.0357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.6
58.78178	0.3
59.01260	5.3
61.98708	2.1
69.60754	1.6
69.61174	1.1
71.01270	27.0
72.01580	0.5
72.99173	0.6
73.02829	1.7
75.00749	1.1
79.77371	0.4
79.95621	5.9
80.64744	0.4
80.96412	23.6
83.01257	0.6
85.02846	6.9
87.00768	4.0
94.97997	1.2
95.01277	1.6
96.95911	18.6
99.00818	0.5
101.02300	0.6
103.00283	4.0
104.11739	0.4
113.02354	13.1
115.00285	19.7
116.00594	0.7
122.97472	1.2
138.96999	5.4
152.98607	0.7
157.01385	2.8
166.96542	3.0
166.97865	0.6
174.97035	0.9
175.02435	31.1
176.02760	1.7
192.98088	7.9
209.11736	0.5
210.12160	0.7
210.99141	0.9
213.39607	0.4
225.00745	1.1
236.97200	0.9
254.98198	100.0
255.98528	5.1
325.48645	0.4
437.09186	0.5
465.23074	0.5
525.16400	3.9
525.28345	0.6
526.17456	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	1.1
59.01263	5.9
59.38092	0.4
65.72239	0.4
69.49981	2.8
71.01267	25.4
72.13542	0.3
72.99201	0.7
73.02831	1.6
75.00754	0.5
79.95618	7.9
80.05013	0.4
80.96405	20.2
83.01266	0.5
85.02841	7.4
87.00765	5.3
95.01277	1.9
96.95905	16.0
103.00273	3.0
113.02347	10.4
113.34734	0.4
115.00276	19.0
122.97470	0.7
129.01848	0.9
138.96988	4.7
157.01355	1.5
166.96518	2.5
170.48387	0.4
174.97040	0.5
175.02432	22.2
176.02699	0.5
192.98068	6.3
210.99110	0.7
223.00330	0.4
236.97107	0.7
254.98181	100.0
255.98557	3.8
265.28790	0.4
271.95468	0.4
275.34216	0.4
292.81381	0.4
312.83932	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	0.3
59.01261	3.4
60.01600	0.3
61.98715	100.0
62.98418	0.2
69.32495	1.2
69.32908	0.2
71.01273	2.1
71.73499	0.1
72.01614	0.4
72.99204	0.3
73.01694	0.2
73.02831	0.8
75.00760	2.8
76.01120	0.2
78.95782	0.3
80.96416	0.4
83.01274	0.2
85.02830	0.9
87.00772	0.2
89.02341	0.7
90.02699	0.2
96.95924	0.2
97.06484	0.2
98.19755	0.3
99.00795	0.3
101.02336	1.1
102.02695	0.3
103.02773	0.3
113.02348	0.9
115.00322	0.3
119.03419	0.3
122.08431	0.1
127.07629	0.2
129.05589	0.2
161.04504	0.5
162.04826	0.2
163.04965	0.2
171.97752	0.1
175.02472	0.4
189.05560	0.2
210.42686	0.2
228.79906	0.2
232.07419	0.2
233.07924	0.2
254.98157	1.4
268.03488	0.2
285.04199	0.2
289.10489	0.2
299.74539	0.2
302.27512	0.2
316.18512	0.3
317.18835	0.5
318.18921	0.4
346.26166	0.1
402.78464	0.2
462.24161	0.4
463.24905	0.8
464.24878	3.0
492.17966	0.5
523.34442	0.4
524.27643	0.5
524.35236	0.7
525.27386	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30922	0.2
55.01772	1.9
57.03344	2.9
57.32138	0.2
58.00484	1.4
59.01268	35.6
59.78029	0.2
60.01579	0.4
61.98721	2.0
68.99713	0.3
69.03348	0.8
71.01273	38.0
71.04913	0.3
71.56618	0.4
72.01616	0.6
72.99198	3.1
73.02839	9.2
75.00767	11.4
78.95828	0.3
83.01283	4.7
85.02847	13.7
86.03199	0.5
87.00775	2.7
87.04414	0.5
87.45866	0.2
89.02345	19.9
90.02698	0.6
95.01288	2.9
96.95911	0.7
97.02883	0.9
97.06512	0.3
99.00794	2.9
101.02351	25.1
102.02711	0.7
109.02891	0.5
111.00801	1.0
113.02361	14.9
114.02726	0.4
115.03922	0.3
118.99785	0.6
119.03426	8.8
123.08105	0.3
125.02372	0.6
127.11182	0.3
129.01865	0.8
131.03413	0.8
135.04413	0.3
141.01703	0.3
141.79904	0.2
143.03438	1.7
143.10742	0.4
146.03706	0.3
149.04507	0.6
153.09081	0.2
155.10747	0.5
157.12337	0.3
158.03598	0.2
159.02943	2.1
159.04318	0.5
161.02419	0.5
161.04514	6.1
161.05850	0.2
163.03926	0.7
169.12335	0.4
171.13977	0.2
172.05214	0.4
173.05995	0.6
174.03159	0.4
175.04036	0.3
178.06335	0.6
179.05594	4.3
179.07138	0.3
183.13911	0.3
187.03979	0.7
187.07652	0.3
193.08762	0.7
195.17583	0.2
196.06172	0.3
199.04025	0.6
199.07719	0.3
200.04692	0.3
201.05583	0.3
201.15012	0.5
203.07127	0.3
215.07184	0.3
217.08594	0.3
225.09019	0.2
227.03529	0.3
227.29156	0.2
229.08746	0.3
231.06622	0.5
231.10316	0.3
237.18747	0.2
241.21793	0.3
243.06705	0.3
251.20163	0.4
258.09189	0.2
271.22897	0.3
275.09164	0.7
283.13544	0.5
285.04028	0.4
287.09531	0.4
288.10181	0.3
311.13089	0.9
313.24017	0.5
315.25525	2.3
327.16122	0.5
329.14026	0.9
329.27167	0.4
341.14087	0.4
341.26978	0.2
343.28470	0.5
345.26700	0.3
353.13831	1.3
359.18753	0.7
359.28168	1.1
360.28326	0.4
361.29700	23.7
362.30045	3.2
362.38074	0.2
371.15115	1.6
385.16852	0.4
403.17798	2.1
405.21710	0.3
479.24850	1.0
523.35028	100.0
524.35345	16.9
524.47021	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2559
Annotation	Safracin A
Peak:m/z	Relative Intensity
54.24071	1.4
57.03333	3.0
59.01259	12.8
61.98706	1.9
66.99776	1.3
68.17759	1.3
69.03343	10.1
69.16071	1.4
71.01267	4.1
71.04887	2.2
71.56039	2.2
73.02829	2.0
75.00748	2.1
78.95791	1.7
81.03324	2.1
83.04897	2.5
95.04941	1.6
96.95901	3.4
97.02832	3.6
97.06505	2.6
99.00742	2.2
101.02315	1.5
108.02027	2.0
109.02845	2.1
109.05817	1.7
109.06499	21.4
123.08020	4.9
125.09666	7.2
135.08102	3.0
136.05188	2.0
137.09604	2.0
138.06667	1.2
151.11206	6.0
153.12773	1.6
161.09642	10.4
163.03893	1.5
163.11238	12.5
171.10275	2.1
179.10709	26.4
181.12262	4.3
181.54324	1.4
185.11777	5.0
189.09213	1.9
190.33173	1.6
191.03452	4.4
197.11798	78.0
198.12123	6.4
205.24966	1.4
207.10266	28.1
208.10561	2.4
209.11824	2.8
215.07245	1.3
217.00179	1.6
223.09703	2.9
225.11324	14.6
235.13423	4.1
237.11249	2.8
241.10870	14.2
281.13812	1.4
285.03995	1.6
295.22772	3.9
297.13458	4.2
315.14499	16.0
359.01517	2.3
435.23694	2.7
461.25388	4.2
479.26633	5.6
505.24350	4.8
523.25513	100.0
524.25763	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	523.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	16.0
61.98708	2.3
69.77235	0.9
70.07101	4.9
71.01260	9.6
72.58142	1.0
72.99181	1.4
73.02832	1.6
75.00760	5.3
80.02579	1.8
81.03341	1.4
83.04910	3.9
85.02828	3.7
89.02357	5.7
98.02962	1.0
101.02344	5.6
113.02361	3.0
113.60271	1.0
114.93251	1.0
119.03454	1.1
121.02788	1.3
125.71027	1.0
128.01277	1.1
142.10970	0.9
149.04419	1.3
152.01118	1.1
161.04482	2.5
163.11171	3.5
165.12779	2.7
166.29880	0.9
191.10791	1.2
209.11819	100.0
210.12169	7.2
227.12862	13.0
253.09340	13.3
254.09511	1.3
285.03931	1.7
299.16428	2.6
300.13559	1.4
308.62646	1.1
313.11069	1.5
343.15500	11.9
409.10846	1.0
463.21744	4.3
464.67557	1.0
523.26324	3.0
524.16321	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	523.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.1
57.03328	3.0
58.00474	3.2
58.06443	1.1
59.01263	100.0
60.01596	1.7
61.98717	44.8
69.03336	2.5
69.51100	6.0
69.51527	4.8
71.01270	50.7
72.01606	1.6
72.55161	1.1
72.99197	7.4
73.02834	37.8
75.00770	4.9
78.95821	1.9
83.01279	4.1
85.02845	23.7
85.99970	1.2
87.00784	9.8
87.04405	3.9
89.02335	32.5
95.01284	1.4
96.95908	14.0
96.96855	1.7
97.02844	2.0
99.00787	3.8
101.02343	69.2
102.01916	1.5
102.02627	1.4
103.03912	22.5
113.02361	12.9
115.03912	6.7
119.03419	16.3
125.02338	4.4
127.03915	2.8
131.03404	10.1
137.02406	1.8
143.03423	14.8
145.04971	8.7
148.03883	1.3
151.00284	1.7
151.03931	1.6
159.02907	2.2
161.04498	10.6
163.06071	80.1
164.06401	2.1
179.03526	1.6
205.07175	23.2
206.07576	1.4
265.09338	3.8
331.17606	4.8
361.22351	1.4
452.62338	1.2
463.21973	47.8
464.22043	6.0
481.12906	1.4
481.22879	2.2
505.06406	6.4
523.20764	1.4
523.27863	12.4
524.27588	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	523.2199
Annotation	(-)-Isolariciresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.36274	0.2
57.26753	0.2
59.01267	3.8
59.06680	0.3
61.98713	0.9
63.24056	0.3
69.23536	1.5
69.23961	1.4
71.01266	2.8
73.02826	1.3
78.11371	0.3
83.01266	0.3
85.02829	1.2
87.00768	0.3
88.38902	0.2
89.02333	1.1
93.03358	1.2
95.01292	0.4
96.95905	0.5
101.02341	2.0
103.03886	0.3
108.02065	0.9
109.02863	5.2
113.02337	0.6
113.79935	0.2
119.03371	0.3
119.04897	0.5
121.02867	13.8
122.03669	11.5
123.00756	0.6
123.04524	1.9
124.01579	1.2
125.02338	0.4
129.03401	0.7
131.03448	0.5
134.03664	0.9
135.04457	1.7
135.95212	0.2
136.05217	1.1
137.02411	2.3
141.96706	0.2
146.03706	0.6
147.04443	5.7
147.25745	0.3
148.05194	0.6
149.05992	1.1
150.03151	0.6
151.00291	2.0
152.01099	0.5
153.01912	0.5
154.02670	1.9
159.04437	0.4
160.05266	0.5
161.04698	0.5
161.06033	1.7
161.62270	0.2
162.06749	0.4
163.03940	0.4
163.06059	1.3
163.07335	0.3
164.04805	0.3
165.05527	26.6
166.05948	1.5
175.07605	0.5
176.08372	0.3
178.06345	0.6
179.07085	9.3
180.07483	0.6
188.95967	0.3
191.07111	0.6
193.08583	0.3
205.07118	0.3
209.08165	1.0
215.78047	0.2
223.09792	1.5
284.69736	0.3
285.11523	0.4
298.12167	0.9
301.10938	0.4
313.14502	1.3
315.12463	2.5
316.13034	0.8
319.17560	0.3
331.15240	0.6
343.15427	0.5
346.14273	10.3
347.14676	1.2
361.16647	100.0
362.16965	12.5
463.21741	0.7
465.05731	0.3
520.87659	0.3
523.27844	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.5
57.03334	3.2
58.00483	2.6
59.01263	58.4
60.01606	1.3
61.01694	0.9
61.98718	1.0
69.43748	0.5
69.44154	2.8
71.01268	49.2
71.04909	1.1
71.32494	0.4
72.01608	1.9
72.99197	13.0
73.02834	7.8
73.03234	0.5
75.00768	4.7
78.95822	0.4
83.01279	5.0
83.04915	0.5
85.02845	14.8
86.03180	0.7
87.00761	4.2
87.04419	0.8
89.02338	33.3
90.02689	1.2
91.02750	0.8
95.01277	3.8
96.95920	0.6
97.02865	0.9
97.06477	1.0
99.00784	3.5
101.02344	34.3
102.02700	0.9
103.02754	0.6
111.00741	0.4
113.02354	18.1
113.09616	0.5
114.02689	1.3
119.03411	13.5
120.03768	0.6
121.03911	0.5
121.10153	1.3
123.08135	0.7
125.02377	1.3
125.09654	0.5
127.11237	0.8
129.01860	0.7
131.03423	2.7
133.02904	0.5
143.03439	2.5
143.10710	0.6
148.05292	0.5
149.04494	2.7
155.10728	0.5
157.12289	1.0
159.02966	1.3
159.04366	0.5
161.04500	7.2
165.12724	0.4
169.12347	0.5
171.13853	1.3
179.05553	6.1
183.13875	0.9
187.13367	3.2
191.05600	0.8
201.14954	4.9
255.10576	0.4
255.19917	0.4
315.18268	1.1
329.27106	0.7
341.26953	2.3
357.26480	1.4
358.26843	1.4
359.28049	20.6
360.28281	2.5
447.22427	1.3
461.24130	1.4
462.57483	0.5
477.27045	0.9
521.33313	100.0
522.33789	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	521.3344
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.7
57.03340	3.4
58.00480	2.8
59.01263	56.0
60.01595	0.7
60.99205	0.3
61.98706	0.3
63.22769	0.3
69.03353	0.4
69.50201	2.3
71.01269	46.8
71.04907	1.2
72.01599	0.9
72.99194	2.8
73.02836	9.3
75.00764	1.9
76.21740	0.3
83.01277	4.8
85.02843	16.8
86.03204	0.3
87.00768	3.4
87.04426	0.6
89.02336	30.3
90.02666	0.6
95.01281	3.9
96.95905	2.1
97.02854	0.5
97.06506	0.6
99.00785	3.1
101.02344	31.5
102.02708	1.0
103.03967	0.3
111.00777	0.7
111.08057	0.3
113.02354	18.8
113.09658	0.4
114.02711	0.6
119.03421	13.5
120.03748	0.3
121.10136	1.5
123.08100	0.5
125.02399	0.7
125.09644	0.3
127.11199	1.0
129.01865	0.6
131.03436	1.3
137.09663	0.5
139.11224	0.3
143.03429	2.9
149.04488	1.0
149.13327	0.4
153.12825	0.4
155.10803	0.5
155.14264	0.4
157.12270	1.4
159.02948	1.9
161.04507	5.8
163.06058	0.3
167.10728	0.3
169.12296	0.7
171.13885	0.9
173.11819	1.1
179.05565	4.7
183.13866	1.3
187.13393	0.8
199.13361	0.4
201.14948	5.9
223.17084	0.3
297.24420	0.4
299.25818	0.4
341.27036	1.4
354.36819	0.3
357.26428	0.7
358.27048	0.4
359.28098	21.7
360.28372	2.3
501.63181	0.4
521.33392	100.0
522.33734	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	521.334
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.5
57.03338	3.4
58.00492	0.8
59.01263	22.3
60.01603	0.2
61.98709	0.4
68.99703	0.3
69.03337	0.5
69.33251	0.8
69.33682	1.0
71.01268	27.5
72.01620	0.4
72.99194	1.8
73.02832	7.8
75.00755	1.2
83.01276	4.7
84.02048	0.4
85.02840	13.4
86.00002	0.2
86.03161	0.4
87.00765	1.9
87.04404	0.2
89.02335	8.0
95.01270	2.2
96.95908	0.2
97.02856	0.5
97.06477	0.3
99.00781	3.5
101.02343	20.0
102.02687	0.5
108.12402	0.2
109.06532	0.2
111.00784	1.7
111.08062	0.3
113.02352	8.8
113.09684	0.2
113.93212	0.2
114.02666	0.2
119.03419	3.0
125.02378	0.7
125.09663	0.2
127.11214	0.8
129.01863	0.9
131.03407	0.3
133.05011	0.2
137.09662	1.4
141.01848	0.2
143.03438	0.8
143.10719	0.3
153.09143	0.3
153.12776	0.8
155.10693	2.2
157.12256	0.9
158.59660	0.2
159.02911	1.7
161.04515	3.2
169.12260	0.2
179.05534	0.9
183.13826	0.8
186.12611	0.4
201.14926	3.6
202.15311	0.4
229.14482	0.4
229.18231	0.2
230.15248	1.3
231.15793	0.2
251.20285	0.2
295.74023	0.2
313.23972	0.3
335.56631	0.2
341.26999	0.3
357.26556	0.2
359.28094	19.9
360.28406	2.3
392.20590	0.4
458.66202	0.2
477.14334	0.2
503.32297	0.2
519.32086	0.3
521.33435	100.0
522.33777	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	521.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.6
57.03330	0.9
58.00485	0.5
59.01265	21.8
60.01604	0.3
61.31631	0.2
61.98711	0.6
66.82353	0.2
69.03340	0.4
70.16919	0.7
71.01268	9.3
72.99197	0.8
73.02826	2.5
75.00761	1.8
78.95805	0.3
83.01273	1.9
85.02842	4.1
87.00777	1.0
89.02336	3.4
95.01287	1.0
99.00766	1.2
101.02347	6.1
111.00799	0.5
113.02370	3.0
119.03442	1.1
125.02262	0.3
126.74319	0.2
129.01836	0.3
133.02887	0.4
134.03693	0.4
147.04401	0.3
148.05334	0.4
149.00832	0.2
150.03127	0.2
161.04492	0.7
171.10185	0.3
178.02583	0.4
185.11749	0.3
191.03459	0.6
205.64204	0.3
229.08559	0.2
273.20828	0.3
295.22836	0.3
313.23932	2.1
314.24139	0.3
341.27039	2.4
342.27249	0.3
359.28076	16.2
360.28436	2.0
369.16025	0.3
374.22061	0.2
461.31174	1.7
477.27011	2.5
478.27582	0.5
479.32550	0.3
503.32306	1.6
504.32541	0.3
521.33405	100.0
522.33777	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	521.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05344	0.4
50.78537	0.5
52.84837	0.5
55.01759	1.7
57.03345	0.6
58.00479	1.8
59.01261	100.0
60.01598	1.0
61.98696	0.7
69.03359	0.8
69.64775	3.7
71.01265	33.4
72.01637	0.8
72.99185	3.4
73.02830	21.6
75.00755	3.4
78.95798	0.6
81.03358	0.7
83.01278	2.1
85.02840	11.6
85.99999	1.1
87.00771	7.9
87.04389	2.7
89.02333	30.5
90.02672	0.8
95.01280	1.6
97.02885	0.9
99.00778	1.2
101.02344	49.8
102.02676	0.7
103.03907	19.3
113.02352	7.4
115.03923	5.9
119.03411	12.0
120.03716	0.6
125.02378	2.5
127.03930	2.1
131.03410	9.2
133.05077	0.5
134.03598	0.7
143.03435	11.4
145.04984	5.5
149.04468	1.3
161.02325	0.9
161.04492	1.4
163.06062	68.9
164.06419	2.5
167.10724	1.5
179.05563	3.0
205.07159	20.0
206.07681	0.8
235.08243	0.7
265.09329	5.7
315.18243	1.3
316.19171	0.5
325.11560	0.8
359.28012	1.1
461.24017	22.7
462.24487	4.3
477.26736	0.7
521.33612	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	521.2615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61037	0.6
55.01775	0.8
57.03340	1.2
58.00476	2.7
59.01263	100.0
60.01599	1.6
61.01710	0.7
61.98721	1.5
69.03328	1.0
69.41640	6.0
70.92667	0.5
71.01269	37.4
72.99194	5.0
73.02837	16.1
74.30206	0.6
75.00763	19.9
81.67313	0.5
83.01284	5.4
84.47738	0.6
85.02838	12.5
87.00768	5.6
87.04417	2.7
88.98734	1.1
89.02334	33.3
90.02660	0.7
95.01305	1.5
97.02854	1.4
98.20510	1.1
99.00796	1.7
101.02344	41.0
102.02693	0.8
103.03913	13.8
113.02349	10.5
115.03925	4.8
119.03416	13.3
120.03802	0.9
122.13080	0.6
125.02386	2.2
127.03949	0.8
131.03452	6.2
143.03423	10.6
145.05002	5.2
149.04478	0.9
161.04529	2.2
163.06071	45.2
164.06461	1.6
179.05592	4.8
205.07146	16.5
229.07213	0.8
233.28036	0.6
235.08334	0.7
265.09366	4.3
315.18280	4.7
351.19009	0.7
359.28036	1.8
461.24026	34.8
462.24509	4.4
477.26645	0.8
521.29199	16.5
522.30396	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	521.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36105	0.8
57.03321	1.8
59.01263	33.3
61.98717	5.5
70.04676	1.5
70.05091	3.1
71.01266	16.3
72.01582	0.8
72.99203	2.2
73.02833	3.7
75.00762	11.7
78.95786	2.5
80.02551	1.2
81.03358	2.6
83.01295	2.1
83.04912	2.6
84.02064	1.1
85.02415	0.8
85.02822	4.8
87.00764	4.4
88.98695	1.9
89.02341	10.0
95.01278	1.3
95.04900	1.1
96.00787	0.9
96.95902	2.2
96.96883	1.3
97.02824	4.6
97.06477	0.9
99.00760	2.1
101.02341	11.6
107.04877	1.2
109.06495	37.2
110.03625	1.7
110.06828	1.8
111.00739	0.8
113.02373	6.4
119.03411	3.7
121.06519	2.7
125.02412	1.2
135.04405	1.1
135.08069	4.4
142.02649	1.8
153.12646	1.0
161.02435	1.0
161.04449	4.4
161.09666	1.4
163.11230	21.7
175.02455	0.9
179.05656	1.0
181.12306	3.8
183.07892	0.9
189.09218	2.7
189.57191	1.1
207.10237	100.0
208.10585	7.1
209.04703	0.9
209.11876	1.5
225.11317	48.3
226.11700	2.6
235.08292	1.1
241.09998	1.2
253.09317	24.6
254.09692	1.3
255.03003	1.5
283.02499	1.8
284.03314	38.2
285.03796	5.1
299.05652	57.3
299.15027	1.2
300.06058	5.7
327.16013	1.4
359.27942	1.2
371.14923	1.0
443.19214	1.7
447.09418	0.9
461.20383	40.3
461.26996	2.1
462.20734	4.3
521.32452	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	521.2251
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36105	0.8
57.03321	1.8
59.01263	33.3
61.98717	5.5
70.04676	1.5
70.05091	3.1
71.01266	16.3
72.01582	0.8
72.99203	2.2
73.02833	3.7
75.00762	11.7
78.95786	2.5
80.02551	1.2
81.03358	2.6
83.01295	2.1
83.04912	2.6
84.02064	1.1
85.02415	0.8
85.02822	4.8
87.00764	4.4
88.98695	1.9
89.02341	10.0
95.01278	1.3
95.04900	1.1
96.00787	0.9
96.95902	2.2
96.96883	1.3
97.02824	4.6
97.06477	0.9
99.00760	2.1
101.02341	11.6
107.04877	1.2
109.06495	37.2
110.03625	1.7
110.06828	1.8
111.00739	0.8
113.02373	6.4
119.03411	3.7
121.06519	2.7
125.02412	1.2
135.04405	1.1
135.08069	4.4
142.02649	1.8
153.12646	1.0
161.02435	1.0
161.04449	4.4
161.09666	1.4
163.11230	21.7
175.02455	0.9
179.05656	1.0
181.12306	3.8
183.07892	0.9
189.09218	2.7
189.57191	1.1
207.10237	100.0
208.10585	7.1
209.04703	0.9
209.11876	1.5
225.11317	48.3
226.11700	2.6
235.08292	1.1
241.09998	1.2
253.09317	24.6
254.09692	1.3
255.03003	1.5
283.02499	1.8
284.03314	38.2
285.03796	5.1
299.05652	57.3
299.15027	1.2
300.06058	5.7
327.16013	1.4
359.27942	1.2
371.14923	1.0
443.19214	1.7
447.09418	0.9
461.20383	40.3
461.26996	2.1
462.20734	4.3
521.32452	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	521.2261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99487	0.7
54.19681	0.7
55.01765	2.1
57.03338	2.0
58.00480	2.7
58.45971	0.7
59.01264	100.0
59.98392	0.9
60.01597	3.9
61.01690	2.0
61.98713	2.2
69.03345	2.3
70.34628	1.4
70.35023	1.6
71.01270	65.9
71.04906	1.3
72.01599	1.6
72.99190	4.3
73.02834	9.0
75.00748	5.4
78.12219	0.7
81.03345	1.8
83.01295	4.3
83.04957	0.8
85.02839	12.1
86.00025	1.0
86.03195	0.8
87.00771	4.9
89.02338	70.1
90.00036	0.6
95.01301	2.0
96.95903	0.8
97.02846	4.1
98.12615	0.8
99.00782	2.6
99.04404	1.1
101.02349	27.9
102.02681	1.3
109.02869	0.9
110.53195	0.6
111.00796	2.7
113.02351	16.8
114.02682	0.6
119.03426	6.2
119.04913	0.7
119.86775	0.7
125.00944	0.8
125.02373	17.8
131.03423	21.9
132.03818	1.1
134.03613	0.8
139.03886	1.1
143.03462	3.4
148.05296	1.3
149.03300	1.6
149.04498	31.9
157.21098	0.8
159.03006	1.2
159.04390	0.7
161.04515	3.2
167.10728	80.7
168.11049	4.0
177.01923	1.0
179.05560	1.6
191.05589	8.3
229.19196	0.7
232.07516	0.7
233.06648	3.3
293.08859	48.8
294.09183	3.6
315.18176	4.1
358.26883	1.5
359.28174	5.6
400.24475	0.7
401.24695	1.8
418.25684	0.8
419.25565	1.2
461.24274	9.0
465.75827	0.7
520.32123	4.1
521.33392	31.5
522.33850	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	521.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01740	0.2
59.01004	0.2
59.01260	1.6
70.15497	0.5
70.84749	0.2
71.01273	3.2
72.99191	0.3
73.02813	1.0
75.00758	1.1
83.01296	0.2
85.02840	1.1
89.02312	0.5
96.95895	0.2
99.00758	0.3
101.02348	1.7
109.02860	0.3
111.00787	0.3
113.02361	1.1
121.02057	0.4
121.02864	3.8
122.03680	1.3
122.47381	0.2
123.00793	0.7
123.04423	0.7
124.01608	0.4
125.02381	0.3
127.70267	0.2
136.05199	0.7
137.02373	1.0
137.06003	0.4
143.04959	0.7
145.02942	0.3
146.03622	0.3
147.04478	1.6
149.02385	1.3
149.04413	0.3
149.06059	0.3
150.03169	6.0
151.03999	0.5
153.05562	0.4
158.03673	2.3
159.04456	7.7
160.05246	24.8
161.04504	1.1
161.05978	6.6
162.03201	0.2
162.06398	0.2
163.03946	5.5
164.04736	5.2
168.04250	0.4
173.06026	2.7
174.06636	0.3
175.07600	23.3
176.04707	0.7
176.07930	1.5
177.05528	7.3
178.06300	5.6
179.06850	0.3
192.07864	0.5
193.01337	0.2
193.08673	2.6
194.57161	0.2
243.03043	0.3
245.34196	0.2
271.02542	0.4
284.03378	0.5
285.04053	0.9
314.11557	1.1
329.14005	100.0
330.14362	11.9
359.11182	0.4
359.15094	4.4
360.15280	0.5
447.09503	0.6
521.26605	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.8
57.03333	2.5
58.00467	5.2
59.01262	100.0
61.98711	2.9
71.01267	78.6
72.99197	9.0
73.02831	6.5
74.02343	2.2
75.00755	15.2
78.95784	4.8
83.01281	4.4
85.02840	15.0
87.00762	8.9
87.01203	1.5
89.02335	86.5
90.02679	1.8
95.01263	3.7
96.96861	1.6
98.20536	2.6
99.00779	2.9
100.29044	1.4
101.02340	47.5
104.09534	1.2
108.02103	2.0
109.02846	2.5
109.06506	3.2
111.58161	1.3
113.01623	2.4
113.02355	29.8
115.03876	1.6
117.03365	2.8
119.03419	34.8
121.02885	2.5
121.06434	1.7
123.00850	1.6
123.04416	2.2
125.02334	4.1
129.01810	1.4
130.79845	1.5
131.03455	7.7
133.01299	1.9
135.04434	3.5
137.02313	1.6
143.03441	9.2
149.04462	11.0
151.00385	2.8
151.03879	1.7
152.00995	1.8
159.02946	1.3
159.04509	2.4
160.05243	5.0
161.02422	1.5
161.04547	7.0
161.05765	1.5
161.67349	1.4
163.03902	1.5
172.05226	3.6
173.06039	1.9
175.02460	1.6
175.07526	2.9
177.01881	1.8
179.05586	24.2
185.11781	1.6
189.05490	5.5
190.06311	6.0
191.05414	2.0
194.00998	1.4
205.08644	5.6
207.10251	5.9
209.11739	2.0
225.11282	4.6
229.65457	1.6
253.09221	2.0
255.15924	2.8
269.04352	2.5
281.08087	1.8
283.06091	4.0
283.13501	2.1
285.04120	7.0
286.04379	3.8
296.10562	4.2
301.07156	1.8
311.12811	7.2
328.04468	3.2
341.14078	26.6
342.14273	3.1
346.05786	2.0
359.14838	2.2
359.46552	1.4
421.87952	1.9
433.28238	1.8
461.20380	3.9
463.63025	1.5
477.23160	2.3
521.19568	3.1
521.28027	14.8
522.32971	3.1
548.50012	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	519.318
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
50.94321	0.2
51.00027	0.2
55.01768	0.9
57.03337	1.4
58.00483	0.5
59.01263	24.8
60.01595	0.4
61.98709	0.3
63.18983	0.2
69.03328	0.3
69.25809	2.3
71.01268	10.5
71.04901	0.6
72.99193	1.3
73.02836	2.3
75.00752	1.8
83.01270	1.9
83.04917	1.7
84.40009	0.2
85.02848	4.2
85.11345	0.2
85.81339	0.2
87.00776	1.3
89.02336	4.2
95.01279	0.8
97.06486	0.4
99.00767	0.9
101.02341	6.3
109.06538	0.2
111.00779	0.2
113.02345	3.3
119.03425	0.9
125.02397	0.2
131.03450	0.2
137.09645	0.3
138.40083	0.2
139.11205	0.6
143.23125	0.2
155.14340	0.2
161.04491	0.4
163.11086	0.2
169.03117	0.2
169.12256	0.3
189.12846	0.7
199.13402	0.3
205.12199	0.2
207.13858	2.3
208.14360	0.2
251.12891	0.6
267.23413	0.4
299.40793	0.2
309.24426	0.3
310.14340	0.6
311.22305	2.5
312.22812	0.4
339.25485	3.8
340.25684	0.4
357.26523	18.4
358.26831	2.5
371.27863	0.2
390.36264	0.2
399.27853	0.4
425.34387	0.3
448.41757	0.2
459.28281	0.8
477.28738	1.2
501.30835	1.7
502.31155	0.4
519.31854	100.0
520.32190	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	519.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18568	0.4
55.01766	2.7
57.03336	3.5
57.19907	0.4
58.00481	2.9
58.26426	0.4
59.01263	77.5
60.01610	1.1
61.98717	1.5
64.41427	0.4
66.23147	0.4
69.03357	0.6
69.44846	0.7
69.45249	3.3
71.01266	53.8
71.04918	1.4
72.01606	0.9
72.99195	3.7
73.02834	7.8
75.00740	2.2
83.01277	5.6
83.04899	0.6
85.02840	16.3
87.00778	3.0
87.04421	1.0
89.02334	35.8
90.02678	0.8
95.01287	4.1
96.95880	0.5
99.00788	2.9
99.04463	0.5
101.02341	35.7
102.02688	0.8
111.00774	0.7
113.02354	18.4
114.02710	0.7
114.97500	0.4
119.03414	14.8
121.10125	1.5
123.08088	0.6
125.02364	1.0
125.09630	0.8
127.11234	1.4
129.01843	0.5
129.16937	0.4
131.03423	2.0
133.04988	0.4
137.09662	0.7
139.11230	1.2
143.03433	3.0
149.04469	1.3
151.11293	0.8
153.12816	0.4
155.10776	0.6
157.12268	2.6
159.02972	1.7
161.04482	6.5
163.11270	0.5
167.10822	0.6
169.12337	0.5
171.13869	1.6
173.11699	0.6
178.16962	0.4
179.05571	5.5
181.12318	0.5
185.11847	0.4
186.12627	0.8
187.13402	1.2
189.31801	0.4
199.13393	1.1
201.14922	1.0
211.09723	0.6
229.18076	0.8
229.25543	0.5
267.19958	0.4
276.67093	0.5
297.24475	1.1
319.20416	0.4
321.24323	1.3
339.25378	2.5
357.26526	27.6
358.26846	3.0
390.19989	0.5
399.23972	1.2
417.25061	1.7
519.31842	100.0
520.32159	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	519.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	2.3
57.03341	3.3
58.00476	2.2
59.01263	65.1
60.01595	0.6
65.74343	0.3
69.26902	3.4
71.01268	45.5
71.04904	0.8
72.01601	0.7
72.99194	3.6
73.02831	8.7
75.00765	1.2
83.01280	5.1
83.04936	0.4
85.02843	14.6
87.00769	3.2
87.04432	0.5
89.02336	33.4
95.01291	3.9
97.02853	0.8
97.06493	1.1
99.00752	2.1
99.04426	0.4
101.02342	33.6
102.02703	0.8
113.02355	18.7
113.09618	0.3
114.02660	0.6
119.03415	17.0
121.10151	1.1
125.02348	0.7
125.09695	0.6
127.11227	1.2
129.01886	0.4
131.03412	2.6
137.09584	0.3
138.20753	0.3
139.11215	0.3
143.03427	2.9
149.04497	1.2
151.11211	0.9
155.10754	0.6
157.12286	1.4
159.02945	1.4
161.04495	5.2
167.10689	0.6
171.13899	2.3
179.05562	5.4
180.06050	0.4
181.12273	0.5
185.11804	0.8
187.13461	0.7
199.13335	1.0
200.14142	1.4
201.14850	1.7
227.16568	0.5
229.18118	2.2
282.53784	0.4
297.24704	0.7
309.24402	0.5
321.24323	1.8
339.25397	2.6
340.25903	0.5
357.26529	26.1
358.26901	3.2
394.13840	0.4
399.23944	0.8
417.24951	0.4
519.31842	100.0
520.32184	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	519.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	3.4
57.03332	5.0
58.00485	2.4
59.01264	46.7
60.01588	0.6
69.03338	0.8
70.43727	0.7
70.44128	1.2
71.01269	44.9
71.04913	0.7
71.57679	0.4
72.01608	0.7
72.99195	3.3
73.02839	11.6
75.00772	1.7
78.95790	0.5
83.01274	6.5
85.02840	17.5
85.06484	0.6
86.00015	0.5
87.00782	3.4
87.04432	2.0
89.02338	24.9
90.02650	0.5
93.07909	0.5
95.01294	3.8
96.95909	1.6
97.02878	1.0
97.06514	1.6
99.00787	4.8
101.02343	34.6
102.01834	0.4
102.02676	0.5
111.00780	2.6
113.02357	16.7
114.02689	0.6
119.03416	12.6
120.03757	0.5
121.10156	0.7
125.02360	0.6
125.09660	1.2
127.11238	1.1
129.01846	0.9
131.03485	1.2
139.11241	1.9
141.12837	0.5
143.03447	3.0
143.49054	0.5
149.04568	0.9
151.11200	0.9
153.12738	0.7
155.10770	0.7
157.12271	1.9
159.03004	2.0
161.04486	5.2
163.11217	0.5
169.12288	1.2
171.13858	0.9
179.05576	5.1
180.05893	0.4
181.12358	1.0
185.11850	0.7
186.12643	1.1
187.13351	0.9
196.65332	0.5
199.13440	1.2
201.14937	1.3
213.14827	0.4
227.16499	0.6
228.13625	1.1
229.18097	1.1
280.82205	0.5
297.24451	1.4
309.24484	1.5
321.24411	1.6
324.04623	0.4
327.25113	0.4
339.25409	2.2
348.17886	1.2
357.26529	27.6
358.26730	4.2
394.99762	0.5
459.22662	0.9
459.29745	0.5
483.29727	1.2
489.30814	1.0
501.30850	1.8
519.31891	100.0
520.32239	19.2
520.40161	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1881
Annotation	(-)-Pinoresinol 4-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
56.33743	0.3
57.03340	0.6
59.01266	4.9
60.10157	0.3
61.72898	0.3
63.97958	0.2
64.75891	0.3
69.32310	3.1
71.01263	4.6
72.99189	0.3
73.02820	1.6
75.00770	1.2
76.22109	0.3
78.95802	0.8
82.86490	0.3
83.01254	0.7
85.02846	2.2
87.00745	0.7
89.02338	1.1
91.51178	0.3
93.02859	0.3
93.03330	1.6
95.01290	0.8
96.95905	0.5
96.96873	0.3
99.00781	0.8
101.02332	2.8
108.02074	1.2
109.02847	0.5
113.02361	2.3
115.00278	0.6
120.35538	0.3
121.02866	5.0
122.03650	2.2
123.00835	0.5
123.04453	0.4
124.01600	0.3
134.03639	1.0
135.04485	0.5
136.01584	69.1
137.02036	2.0
139.00317	0.5
147.04382	0.4
149.02391	0.4
149.06042	0.6
151.03941	99.4
152.04274	5.3
159.04457	0.8
160.05223	1.5
161.04469	2.6
162.03137	0.9
163.04007	0.9
175.02438	1.4
175.03873	0.6
175.07567	1.3
176.04842	0.4
177.02034	0.4
177.05515	0.9
179.03458	0.3
179.05469	0.3
188.04597	0.3
189.05577	0.4
191.03398	0.3
203.07126	0.4
263.99683	0.4
311.12985	0.6
316.50882	0.3
342.11163	5.0
343.11572	0.4
357.13483	100.0
358.13806	12.5
362.71219	0.3
415.23563	0.3
459.18750	0.6
475.21759	1.3
519.26093	0.4
520.28040	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56023	0.6
57.03328	1.0
58.00480	2.1
58.61678	0.6
59.01263	80.9
60.01588	1.3
65.26012	0.6
66.42793	0.6
66.80217	0.7
69.03343	4.1
69.71584	2.1
69.72010	2.8
71.01270	45.0
72.01588	0.7
72.99189	3.2
73.02835	16.6
75.00772	1.6
81.03349	4.2
83.01295	3.9
83.04937	0.7
85.02842	15.9
87.00783	3.0
89.02338	28.8
91.01798	10.7
93.03355	9.3
95.01287	2.9
96.95910	3.3
97.02853	6.0
98.20574	1.1
99.00784	2.1
99.04435	0.9
101.02348	37.3
103.03915	28.0
107.04923	1.8
109.02841	0.9
111.71293	0.8
113.02345	4.9
115.00289	1.3
115.03913	1.3
119.01289	3.3
119.03418	15.4
121.02868	11.6
123.04413	0.8
125.02364	34.5
127.03951	2.8
131.03465	2.1
136.01608	1.2
137.02383	9.5
138.02936	0.8
143.03426	3.7
145.05013	5.8
149.02379	0.9
149.04462	1.7
151.03949	100.0
152.04324	4.2
161.04489	1.9
163.06070	32.4
175.02434	1.8
194.83395	0.7
205.07187	2.9
242.68411	0.7
247.08264	10.2
289.09363	1.5
307.10403	26.3
308.10803	2.0
311.99207	0.8
343.13062	0.8
387.20306	1.6
427.12622	4.2
457.15137	0.8
519.24792	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	518.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64014	0.8
57.03328	2.5
59.01262	6.2
60.99166	0.7
63.02280	1.4
64.24474	0.7
65.00198	5.5
65.99744	1.1
69.21199	3.4
69.21634	6.4
71.01268	5.6
72.99199	2.5
75.00780	3.2
83.01295	3.6
85.02837	7.0
87.00787	1.3
89.02343	1.4
93.63184	0.8
95.01293	2.0
96.78069	0.8
98.19835	1.5
99.00793	2.8
101.02341	1.2
103.00294	0.9
107.01295	10.5
109.02858	6.6
113.02360	10.2
115.00320	1.1
117.01850	0.9
118.02858	0.9
121.81118	0.8
123.00797	1.0
123.04385	0.9
125.02366	23.4
125.03255	1.4
133.02881	40.1
134.02353	1.0
134.03290	1.0
135.00838	1.1
135.04465	1.6
137.02382	11.3
139.00285	1.3
139.03986	1.2
146.02364	1.2
147.03226	1.5
147.04420	0.9
149.02406	1.6
151.00311	39.3
152.00856	0.8
153.01874	2.0
160.03940	4.3
160.21155	0.8
161.02383	6.8
162.05563	1.1
163.00333	2.6
164.03496	14.8
165.01981	1.5
165.03941	0.8
169.01382	1.2
170.02438	1.8
172.03972	1.7
173.75426	0.9
175.02475	3.1
176.01138	3.5
177.01892	22.1
178.02237	1.1
178.99811	18.2
179.03429	3.6
187.04030	1.9
188.03433	5.7
189.01871	2.0
189.05513	0.9
190.01404	0.9
190.05049	9.6
191.03491	1.0
192.00600	2.3
193.01404	5.1
193.03520	2.5
198.01920	6.3
201.01965	0.9
201.05579	1.9
203.03488	2.0
205.01410	13.9
206.04556	6.5
211.04010	1.9
214.01451	0.9
214.05052	1.2
216.02960	13.6
225.05618	1.8
227.03490	2.6
228.04395	1.1
229.05066	2.9
232.02522	46.9
233.02747	4.0
238.04994	1.4
241.05128	2.0
242.02353	1.0
242.04674	1.6
243.02881	1.8
251.03674	1.0
253.05165	2.9
255.03024	5.3
256.03705	3.1
256.06174	2.3
257.04584	7.2
258.05045	1.1
269.04630	5.8
271.02615	1.2
273.04150	1.6
279.03174	1.2
279.23907	0.8
280.06232	1.9
282.04129	1.7
283.02490	3.6
284.03317	36.1
285.03958	10.7
286.04391	1.4
287.05566	1.1
296.05753	1.6
297.04120	24.8
298.04266	2.6
298.07339	1.4
299.02026	1.2
299.05716	4.0
300.05167	3.0
301.03549	12.7
302.04251	4.0
306.04059	1.3
314.06693	7.4
324.05197	97.7
325.05637	11.8
340.06827	1.6
341.04947	0.9
342.06241	100.0
343.06702	10.5
366.06201	2.2
369.05246	1.0
396.07285	1.9
408.06116	2.5
477.07089	1.7
500.08490	10.7
501.08972	2.3
518.09509	23.8
519.09662	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	518.094
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	2.6
59.01262	9.3
63.02280	1.8
63.34209	1.5
65.00209	5.9
67.01759	1.4
69.28774	6.9
69.29202	6.4
71.01266	7.6
72.99197	5.3
75.00768	5.3
78.95800	1.7
81.42182	1.3
83.01275	3.8
85.02832	6.5
87.00779	2.2
89.02345	3.1
93.03322	1.9
95.01286	5.2
98.20599	3.0
99.00759	3.9
100.47967	1.3
101.02332	2.8
102.60632	1.3
103.00279	1.5
103.09021	1.3
107.01280	6.3
109.02809	2.8
111.00806	4.7
113.02338	12.0
117.01803	1.6
117.03357	2.9
121.02863	4.3
123.00847	2.7
125.02358	20.6
128.99002	1.4
129.01816	1.6
133.02867	12.1
134.02449	1.7
137.02376	10.9
139.00305	8.5
140.01012	2.5
141.01883	5.1
145.02863	1.8
149.02365	3.8
150.99156	2.0
151.00299	23.2
152.00955	1.4
153.01869	25.5
154.02214	1.5
156.04462	1.7
160.03992	3.8
161.02412	3.2
162.01892	6.1
163.00235	3.2
163.03983	1.6
164.03531	4.1
165.01918	7.1
166.99841	6.7
167.03499	1.9
168.00566	2.3
169.01352	3.5
174.05623	2.1
175.02513	3.6
176.01074	2.2
177.01886	13.7
178.99831	18.1
180.02988	3.9
181.01299	1.4
187.04016	2.1
190.05072	3.8
192.00566	2.2
192.02994	1.4
193.01419	7.2
193.03499	4.0
198.01956	2.6
201.05515	2.6
202.01381	2.1
204.02936	3.2
205.01431	3.2
206.01004	1.4
209.00861	4.0
211.03984	2.5
213.05562	1.8
216.03026	6.4
217.04919	2.0
220.02502	1.9
222.04025	4.6
229.05075	3.1
232.02422	6.7
241.05132	2.7
245.04657	2.6
253.05032	2.4
255.03012	5.2
256.03653	1.8
256.06110	2.2
257.04562	4.0
269.04608	16.8
273.04019	2.6
280.06244	1.9
282.03946	1.5
283.02515	3.2
284.03308	10.8
285.04004	12.7
287.05634	5.2
296.05551	1.7
297.04108	21.4
298.04202	2.0
300.05240	1.5
301.03540	22.0
302.04022	3.3
303.04828	1.7
306.03967	1.8
314.06805	8.2
315.05069	16.3
324.05157	34.4
325.05429	4.9
342.06210	100.0
343.06738	11.8
398.07257	1.7
490.10330	2.2
491.08585	6.9
500.08350	3.0
518.09467	23.5
519.09656	2.9
519.24701	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	517.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.4
57.03339	3.2
58.00485	2.3
59.01264	100.0
60.01614	1.7
61.98714	2.8
63.72973	0.6
69.03341	1.7
71.01268	51.2
71.56880	1.0
72.01624	1.3
72.99207	2.8
73.02838	19.2
75.00755	4.9
78.95779	1.7
83.01276	11.9
83.04903	0.9
85.02841	23.1
87.00759	4.5
87.04406	0.9
89.02335	23.9
95.01300	5.0
96.95951	3.3
96.96856	1.0
97.02856	2.3
97.06512	0.6
99.00780	6.3
101.02343	46.3
102.02691	0.7
103.03926	3.4
109.06536	0.6
111.00813	1.0
113.02350	21.9
114.02644	0.7
115.00247	0.7
115.03941	1.2
118.98009	0.6
119.03408	8.6
123.08132	0.7
125.02388	4.2
127.03934	0.9
129.01851	1.0
131.03459	1.9
137.02390	1.0
137.09743	0.6
141.01651	0.9
141.09155	1.4
143.03447	5.3
145.05020	1.9
148.05310	0.7
159.02876	2.9
161.02467	0.9
161.04512	16.7
162.04756	0.7
163.06091	8.3
171.10162	0.7
175.02454	1.8
179.05565	3.9
205.03656	1.0
205.07120	1.8
205.12321	0.8
207.13913	1.4
229.06976	0.8
247.08333	1.5
251.06940	1.0
257.04602	0.8
273.07892	0.7
285.04285	0.7
295.05972	2.6
311.15057	54.2
312.15390	5.1
347.17221	0.9
355.24957	2.0
373.26083	0.9
397.22549	1.0
457.20868	89.5
458.21194	15.1
458.31229	1.2
476.32413	1.2
499.28815	0.8
517.30823	13.8
518.26245	2.2
518.32404	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2303
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.9
57.03337	2.5
58.00468	0.9
59.01266	100.0
60.01600	0.8
60.60494	0.6
61.98711	3.3
69.03345	1.4
69.64386	5.1
71.01270	30.0
71.01672	1.5
71.04928	1.0
72.99210	3.2
73.02837	64.4
74.03194	1.2
75.00771	5.7
78.95805	1.8
80.96441	0.8
83.01283	6.5
83.04929	1.2
85.02840	14.1
87.00791	2.5
89.02345	11.4
95.01307	2.9
96.95924	2.8
96.96876	0.8
97.02881	1.9
99.00772	3.9
99.04451	1.4
101.02346	22.4
102.02676	0.7
108.25639	0.7
109.02914	1.0
111.00806	2.1
112.01437	0.8
113.02370	13.9
113.69155	0.7
116.92800	0.9
118.98046	1.0
119.03439	5.4
125.02391	1.7
125.78828	0.7
127.07539	0.7
131.03467	0.9
141.09128	1.7
141.68826	0.6
143.03423	3.1
151.11317	0.8
159.02951	1.4
161.02458	1.1
161.04524	7.1
163.06160	2.4
179.05638	2.7
185.92816	0.7
191.03447	0.7
205.07208	0.7
209.15265	0.7
253.18127	1.5
257.04730	1.0
311.15106	11.0
312.15359	1.1
314.27072	1.5
321.15628	0.8
355.11957	0.8
355.24988	2.7
370.40567	0.7
373.25961	0.8
429.24783	0.8
431.23193	2.5
457.20880	18.6
458.21463	2.8
458.31339	15.5
458.37299	1.1
473.24014	52.6
474.24496	8.4
476.32419	17.7
517.29926	14.6
518.31482	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	515.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
58.00464	0.3
59.01263	100.0
60.01609	0.9
60.62917	0.3
61.98718	1.3
71.01270	5.4
71.56647	0.3
72.99211	0.6
73.02834	1.7
75.00755	2.3
78.95795	0.4
83.01281	0.7
83.04913	0.3
85.02810	1.8
86.87152	0.3
87.00787	0.9
87.02145	0.3
89.02329	2.3
96.95908	3.5
96.96889	0.4
97.02865	0.3
97.06485	0.4
99.00777	0.6
99.04474	0.3
101.02348	3.2
107.59107	0.3
113.02354	2.6
119.03451	1.0
121.02914	0.4
128.03479	0.3
131.03465	0.3
137.02379	0.4
143.03525	0.3
149.04602	0.3
151.07607	0.4
152.00952	0.3
161.04549	1.0
163.06052	0.3
179.05589	0.6
182.97258	0.3
185.11946	0.5
205.75087	0.3
282.75989	0.3
285.04062	0.5
289.12256	0.3
294.14752	0.6
308.42093	0.3
353.23532	0.5
389.17853	0.3
395.21204	0.5
406.94083	0.3
413.22205	1.2
417.50357	0.3
455.23352	1.6
515.28925	5.0
516.28827	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	515.178
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.5
59.01263	100.0
60.01608	0.9
61.98718	3.6
70.56114	0.7
71.01270	15.5
71.04888	0.9
71.57352	0.9
72.99213	2.0
73.02840	5.5
73.22014	0.7
75.00756	6.3
75.53747	0.7
78.95816	1.4
80.02548	0.6
81.03362	1.1
81.40941	0.8
83.01273	2.0
83.04922	1.8
85.02822	4.7
87.00786	2.1
89.02335	10.7
90.02677	0.8
95.01279	1.0
96.95908	4.6
97.02859	1.2
97.06503	1.7
99.00798	1.0
99.04436	2.4
101.02343	9.1
103.03934	1.9
107.04955	1.3
109.02850	1.2
111.08073	0.9
113.02364	6.5
113.05959	0.9
119.03418	3.7
122.06002	0.7
125.02329	3.3
135.04477	0.8
137.02425	0.7
143.03502	1.2
143.10701	1.1
145.28192	0.7
147.08121	2.9
148.03909	0.8
149.09657	0.8
155.10764	0.7
157.06644	0.9
158.42809	0.7
159.08063	1.3
159.11716	1.1
161.02431	1.6
161.04543	2.6
161.13281	7.3
163.06049	2.6
172.08917	0.8
176.70802	0.7
179.05617	2.0
185.13358	1.0
187.11258	15.8
188.11621	1.0
205.12317	30.6
206.12711	1.9
222.30704	0.7
223.13457	3.0
229.12282	3.3
247.13599	0.9
249.11299	6.8
265.14597	2.2
267.12543	1.8
279.27451	0.8
285.04236	1.2
291.12607	1.4
291.35754	1.1
307.10526	3.9
309.13483	19.9
310.13852	1.4
375.79919	0.8
429.18011	1.7
471.23569	3.5
473.27640	0.8
515.28516	8.9
515.47406	0.7
516.28973	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	514.3256
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	1.0
60.01609	0.2
61.01690	0.2
61.98714	100.0
62.98408	0.2
66.36259	0.1
66.86180	0.1
71.01274	0.2
71.26886	0.1
73.02812	0.1
81.95598	0.1
82.02891	0.1
83.04910	0.2
84.05256	0.1
85.02892	0.1
94.02892	0.2
96.95941	0.2
101.02367	0.1
101.91459	0.1
103.74882	0.1
113.02404	0.1
138.05559	0.1
140.04578	0.1
150.59422	0.1
154.24190	0.1
163.28218	0.1
227.07159	0.1
239.08327	0.1
241.00290	0.1
242.00623	0.1
253.05058	0.1
254.05522	0.2
271.06287	0.2
272.06598	0.2
301.12073	0.1
313.12030	0.1
315.13690	0.1
438.16702	0.1
452.33395	0.2
453.33664	0.5
454.23911	0.1
454.33765	1.0
470.19278	0.1
514.18231	0.1
514.32874	0.3
515.32971	0.1
525.92358	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.2
61.98718	1.3
65.21763	0.4
66.81221	0.4
71.01256	1.1
71.58399	0.6
71.58798	0.5
73.02827	0.5
75.00774	0.8
75.15105	0.4
78.95794	9.1
79.95628	2.9
85.02843	0.6
87.00758	0.4
89.02307	0.9
96.95912	100.0
96.96832	16.8
98.02378	9.3
101.02348	1.6
103.03891	0.6
113.46423	0.4
123.03145	0.4
126.43028	0.4
135.04353	0.5
138.05574	0.6
141.28629	0.5
161.04367	0.5
163.06096	1.3
285.04059	0.9
311.05933	0.8
453.22607	0.8
470.19376	0.8
512.29572	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	2.1
59.01264	100.0
60.01601	1.7
61.98720	10.6
63.20036	1.0
71.01273	7.0
71.04913	10.6
71.55772	1.1
71.56263	1.7
72.99204	4.8
73.02836	4.6
75.00764	31.3
77.33788	1.1
78.95750	1.2
80.62788	1.0
80.96450	1.0
81.03353	1.1
83.01271	1.4
83.04925	2.5
85.02841	3.1
86.38408	1.3
87.00758	1.3
89.02333	1.6
95.01335	1.2
96.95880	1.2
97.06482	2.4
101.02344	6.2
111.08067	3.5
113.02348	1.9
113.09603	1.1
114.09210	1.1
115.07571	13.2
121.02868	1.3
125.09631	1.2
127.03956	6.2
127.71339	1.3
135.04405	2.3
139.07574	2.9
153.09184	3.1
156.10262	9.8
158.11816	11.3
169.12279	2.3
171.10223	2.8
183.13867	12.3
191.03522	1.4
192.04227	1.4
199.13470	2.1
207.13925	1.9
209.11789	1.4
225.14955	29.5
226.15274	2.1
241.14490	2.7
269.14127	1.8
366.26404	1.8
410.25613	12.3
411.25644	2.0
411.63840	1.1
428.26599	25.2
429.27094	3.3
470.27554	19.5
471.33481	2.9
514.26617	6.1
515.28015	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	511.292
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
57.03310	0.2
59.01265	0.7
65.03857	0.2
69.03348	0.2
70.64943	0.3
71.01271	0.2
71.04916	0.2
77.77823	0.1
80.02566	1.2
81.03349	1.3
83.01297	0.2
83.04913	5.6
84.02052	0.9
84.05247	0.2
90.93112	0.1
93.03336	1.0
95.04922	0.8
97.06492	0.6
107.04964	0.2
109.06507	0.7
111.04401	0.5
111.08103	0.2
121.06495	0.2
123.08066	0.9
125.06016	0.4
125.09623	1.8
127.11170	0.4
135.08083	1.1
147.11667	0.2
149.09666	1.0
153.09056	0.1
153.13017	0.2
158.60614	0.1
161.09625	0.2
163.11224	3.9
164.01558	0.2
164.11534	0.4
165.12767	2.9
166.13078	0.2
168.67668	0.2
171.10210	24.5
172.10559	1.2
173.09683	0.2
177.12726	0.3
181.12363	0.8
185.11781	1.3
186.12195	0.2
191.10751	1.2
198.81313	0.1
201.12926	0.2
203.10666	0.2
203.14394	0.5
205.12407	0.5
207.10266	0.6
209.11806	100.0
210.12141	7.0
219.14047	0.4
221.11842	0.9
221.15352	0.3
223.13350	1.3
225.11365	0.2
227.12885	8.4
228.13280	0.5
229.12366	0.5
231.13927	0.5
235.13348	0.2
237.14952	0.2
247.13428	6.6
248.13785	0.5
249.15085	0.7
265.14481	2.5
266.14850	0.2
321.17227	0.6
331.22812	0.4
339.18796	0.3
357.20786	0.4
357.24591	0.2
373.23792	0.3
375.21439	1.0
375.25894	0.7
376.21909	0.2
383.22568	0.3
391.24881	0.3
393.22375	0.2
393.26917	0.2
401.23343	1.1
402.24075	0.2
419.24533	0.6
431.24228	0.8
437.25507	0.5
449.25531	2.5
450.25696	0.3
457.25983	0.5
467.26688	0.2
467.33902	0.3
475.27127	3.0
476.27362	0.6
493.28107	2.0
494.28351	0.3
511.29257	2.7
512.29584	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.9
59.01262	19.3
61.98724	4.2
71.01273	6.6
71.05885	1.0
71.06202	1.6
72.99192	1.5
73.02828	2.8
75.00765	6.8
75.76099	1.1
81.03300	0.9
83.04884	0.9
84.04433	2.3
85.02857	2.2
87.00756	0.9
89.02331	3.1
95.03658	3.4
96.08047	1.0
96.95899	2.4
97.02860	0.9
98.54728	0.9
101.02358	4.7
109.02868	1.5
110.02372	2.2
112.03944	6.0
113.02323	2.8
116.04983	3.6
118.06538	5.1
119.03445	1.3
120.08098	3.5
122.06076	1.1
123.03189	15.0
123.08083	1.2
124.03972	7.1
124.07571	6.3
125.02395	1.5
134.06046	1.2
138.05536	50.3
139.05856	1.4
140.07089	1.8
143.10695	7.2
144.04482	28.9
144.11060	4.4
145.04990	1.4
146.06052	62.7
147.06323	2.3
148.07596	3.1
160.03972	2.0
161.02414	1.5
161.04630	1.3
162.05548	14.2
163.06038	1.7
172.04019	8.4
173.04832	4.6
174.05579	6.7
176.03497	1.4
182.04543	4.2
183.05254	1.4
183.72469	1.0
184.06120	7.0
188.03471	8.6
188.07088	1.1
190.05035	3.1
192.06613	1.9
203.03833	1.2
203.05832	24.2
204.06639	41.1
205.03900	2.0
205.07417	34.8
206.08000	2.2
208.06099	5.1
209.06653	1.2
215.04382	1.2
219.05354	3.5
220.06071	2.0
236.05554	5.3
237.06406	20.8
238.06830	1.8
241.11078	1.1
253.09782	1.4
265.09857	1.2
267.11374	2.5
268.12109	1.0
269.13013	1.1
272.37433	1.0
279.07785	2.8
280.08405	1.3
293.09229	4.9
294.10178	5.7
295.10760	1.3
297.12482	30.1
298.12851	3.5
307.10938	0.9
326.09125	2.5
326.12851	1.6
327.13562	28.6
328.13861	3.5
329.15121	100.0
330.15421	12.0
392.19882	1.9
393.18335	1.7
403.26361	1.0
408.15787	2.7
409.17688	2.2
418.17706	6.9
419.17978	1.7
436.18933	12.4
437.18063	4.1
440.18335	3.0
450.20627	4.1
451.21689	1.0
452.31375	2.5
462.16858	3.7
468.21527	2.1
480.17792	16.0
481.17993	4.1
494.19440	6.4
495.19431	0.9
512.20282	13.6
512.28906	3.1
513.20367	2.5
513.27472	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	511.2922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.2
59.01267	1.0
59.01532	0.2
64.52546	0.2
69.03353	0.2
70.34137	0.7
71.01272	0.3
71.04922	0.2
79.32251	0.2
80.02580	1.2
81.03345	1.2
83.01266	0.3
83.04919	5.2
84.02074	1.1
91.78407	0.2
93.03380	1.1
95.04960	1.0
96.29069	0.1
96.95883	0.2
97.02829	0.2
97.06499	0.9
109.06504	0.7
111.04429	0.4
123.08090	0.9
125.05984	0.6
125.09628	1.9
127.11176	0.3
135.08084	1.0
147.11708	0.2
149.09622	0.9
161.09596	0.2
163.11240	4.4
164.11559	0.4
165.12823	2.5
171.10219	22.9
172.10550	1.2
177.12926	0.3
181.12332	0.9
182.78439	0.2
185.11841	1.6
191.10771	1.2
203.10692	0.3
203.14482	0.6
205.12343	0.3
207.10239	0.7
209.11813	100.0
210.12158	7.3
219.13972	0.5
221.11890	1.0
221.15451	0.4
223.13394	1.1
225.11351	0.3
227.12888	9.6
228.13184	0.7
229.12303	0.6
231.13887	0.5
239.12920	0.5
247.13409	7.6
248.13762	0.5
249.14946	0.5
249.67279	0.2
265.14487	2.3
266.15091	0.2
321.17090	0.6
327.22153	0.2
331.22766	0.5
339.18243	0.3
357.20767	0.4
357.24561	0.2
375.21478	1.4
375.25549	0.6
376.21909	0.2
383.23370	0.4
391.25208	0.3
393.26917	0.2
401.23383	0.9
419.24493	0.8
431.24390	0.6
437.25571	0.5
449.25348	2.2
450.25745	0.3
457.26035	0.4
475.27066	2.6
476.27292	0.6
493.28067	1.9
494.28436	0.4
511.29099	3.4
512.29376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57631	3.7
56.70219	3.8
57.03340	11.6
59.01264	19.5
59.53091	3.3
63.02284	8.7
64.68906	3.3
65.00201	25.6
65.11140	3.7
66.00861	18.3
67.01794	6.2
68.99726	4.0
69.03320	4.3
70.38640	4.2
71.01279	27.0
72.99194	22.5
75.00762	24.5
78.97433	3.3
79.01741	3.5
79.56057	3.7
83.01276	25.4
85.02834	32.0
87.00785	11.4
89.02357	6.8
91.01775	4.5
93.03364	13.3
95.01299	23.2
97.28094	3.6
99.00787	22.9
101.02355	7.9
102.71311	3.4
103.00291	6.7
107.01324	23.7
107.04939	4.1
108.02074	4.0
109.02876	27.6
111.00781	58.9
113.02355	48.5
114.13181	3.4
117.01841	3.6
117.03373	9.4
120.99566	8.6
121.02866	17.0
123.00783	19.1
123.04439	5.0
125.02360	55.4
127.00301	7.9
133.01401	4.5
133.02895	13.4
135.00810	6.5
135.04420	7.9
136.98738	14.3
137.02371	40.3
139.00305	100.0
140.01048	4.6
141.01886	26.8
143.04895	3.9
145.02980	5.0
148.01593	5.9
149.02357	25.1
151.00305	84.5
151.03903	8.5
152.01120	7.7
153.01888	47.3
154.99812	14.6
156.00470	4.5
157.01300	7.0
159.04485	10.1
159.99722	4.1
161.02428	8.9
163.00304	35.3
163.03967	7.2
164.00951	6.3
164.98227	8.0
165.01886	37.2
165.99004	4.6
166.99818	39.1
168.00537	12.5
169.01387	35.1
171.04462	9.2
172.11931	3.7
173.06000	5.1
175.02493	8.3
175.03983	10.4
177.01898	16.7
178.99820	81.3
180.00189	6.4
181.01399	48.3
182.02074	4.6
182.99303	4.4
183.02878	8.1
183.04410	5.3
185.00891	11.5
185.02357	5.1
185.06152	4.2
187.03864	6.8
189.01834	5.2
190.99837	12.2
191.03371	7.8
192.00526	9.3
193.01378	32.9
193.03505	21.0
194.99295	20.3
197.00877	10.8
199.02487	11.7
199.04073	7.9
201.01881	4.9
201.05588	6.9
203.03494	11.3
206.99361	13.9
207.02931	6.8
208.00104	14.7
209.00963	49.7
211.04102	4.2
215.01659	4.3
215.03514	5.8
215.33313	3.9
217.04999	6.7
219.02966	12.6
225.00359	17.8
227.03522	12.5
229.01318	4.5
229.05099	7.9
230.02032	5.2
231.03017	14.8
233.04579	6.4
235.02409	10.6
243.03032	16.1
245.04750	18.1
247.02486	10.5
255.02980	18.8
259.02448	11.3
261.04028	10.1
268.03671	4.7
269.04556	33.0
270.05020	7.7
271.02545	25.1
272.03220	7.4
273.04044	35.8
274.04639	5.8
275.01730	5.3
283.02557	8.9
284.03247	21.6
285.04092	23.3
289.03644	17.3
291.05121	6.9
294.04236	8.9
299.02008	27.4
300.02835	22.5
301.03583	94.5
302.03885	11.1
308.05655	12.2
309.04044	6.6
317.03015	99.5
318.03497	13.9
335.03329	35.1
335.07666	34.5
336.05026	13.3
345.04590	8.5
357.04785	7.5
358.05325	7.2
373.04361	5.0
385.04102	10.7
461.07764	5.6
477.07101	5.7
493.06168	7.5
494.06528	6.6
511.06921	23.4
511.28876	11.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62625	1.8
57.03340	4.6
59.01258	15.9
63.02285	5.6
65.00211	13.4
67.01789	3.4
69.03309	2.4
69.36282	19.3
71.01281	16.9
72.99191	7.5
73.02822	3.4
73.06590	2.0
75.00761	5.7
79.52749	1.9
83.01276	13.9
85.02850	16.7
87.00777	6.5
89.02350	4.5
93.03355	5.0
95.01270	12.2
97.02901	3.2
99.00800	12.8
101.02364	5.5
107.01296	22.0
109.02839	22.3
111.00800	8.4
113.02347	25.8
115.00320	2.5
119.01352	2.4
120.60777	2.0
121.02895	6.8
123.00804	8.3
124.01597	6.1
125.02367	47.8
127.00282	2.5
133.02885	14.0
135.00790	6.9
135.04393	2.7
137.02370	30.8
139.00282	20.4
141.01863	11.7
147.04471	3.8
149.02377	13.6
151.00307	75.4
152.01003	9.0
153.01871	36.5
153.61613	2.1
159.04489	3.6
161.02399	3.8
163.00325	40.7
164.00916	4.3
165.01865	32.8
166.99789	12.7
167.03471	2.3
168.00665	3.2
169.01379	23.1
173.06046	2.3
175.00243	2.4
175.02498	4.0
175.03941	2.7
177.01862	13.6
177.05472	2.7
178.89981	2.3
178.99818	100.0
180.00244	6.2
181.01399	53.0
182.02042	7.6
183.02936	2.9
183.04477	3.6
185.00899	8.9
185.02397	2.8
187.03955	5.1
189.01924	2.5
189.05592	3.3
190.99788	17.2
191.03465	6.2
192.00418	2.9
193.01399	33.1
193.03474	8.6
194.01765	2.4
194.99316	3.1
197.00958	4.7
199.02455	11.3
199.03995	4.2
201.01874	6.2
201.05562	3.3
203.03474	7.8
205.01244	2.6
205.05125	3.5
206.59787	2.0
206.99368	14.5
207.02992	3.9
208.00049	8.4
209.00897	44.6
209.60480	2.4
210.01866	2.9
215.03606	2.8
217.04991	4.7
219.02954	6.2
225.00410	20.9
227.03477	10.7
228.04085	2.5
229.05098	7.4
230.02095	2.5
231.03059	7.7
233.04575	5.8
235.02498	4.2
243.03000	14.6
245.01093	2.3
245.04559	11.4
255.03035	20.0
257.04639	9.7
261.04001	3.4
271.02542	26.8
273.04031	23.3
283.02484	16.8
284.03195	8.6
285.04150	15.0
289.03497	9.8
291.05020	3.3
299.02020	51.6
300.02640	13.6
301.03598	87.4
302.03970	10.5
317.03030	70.7
318.03506	5.1
335.04056	33.2
336.05093	11.0
345.04599	4.0
355.03223	4.5
357.04669	9.5
358.05511	16.8
373.04346	2.3
384.71274	2.2
385.04190	10.4
390.04617	6.0
401.03543	3.5
451.25449	7.6
461.07281	4.4
475.04886	3.1
477.06836	8.7
493.06342	6.8
494.06778	4.1
511.07251	15.4
512.08508	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	510.2201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52039	0.3
59.01268	4.0
61.01705	0.5
61.98716	100.0
69.27085	1.1
69.27509	2.0
71.01258	2.5
72.01600	0.6
72.99210	0.6
73.02843	1.0
75.00762	14.3
76.01093	1.3
85.02855	1.0
86.03181	0.4
87.00787	0.5
89.02355	0.9
90.02724	0.3
90.59854	0.3
90.65608	0.3
97.06520	0.3
99.00769	0.6
101.02358	1.1
102.02695	0.3
113.02380	1.0
117.01873	1.2
124.56619	0.3
131.03476	0.5
133.03827	0.3
150.06732	0.4
161.04465	0.4
162.86688	0.2
170.19769	0.3
173.06024	0.5
175.07497	0.3
176.07997	0.3
179.10840	0.3
203.07132	0.5
204.07472	0.4
229.08823	0.4
230.09277	0.3
232.07524	1.3
233.07755	1.5
234.08398	0.3
285.04190	0.6
306.10840	0.3
307.11523	0.4
330.14465	1.1
390.16235	0.7
408.17487	0.3
430.16391	0.6
447.09448	0.5
448.17026	1.3
448.23007	0.7
449.17639	0.4
449.23245	1.3
450.23251	5.2
450.29016	0.4
451.23758	0.3
466.18094	0.6
510.28296	0.5
510.35727	0.6
511.36777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	0.4
59.01262	10.2
60.01596	0.3
61.98713	3.5
65.00176	0.5
71.01277	3.6
71.47141	0.3
71.56049	0.4
72.99183	1.0
73.02825	1.3
75.00764	10.4
76.01101	0.4
83.01273	0.4
85.02841	1.8
87.00765	0.4
89.02333	2.3
93.03313	0.3
95.01256	0.4
99.00792	0.3
101.02359	3.3
107.01290	1.0
109.02840	0.5
109.06488	0.4
113.02345	1.4
117.01872	0.7
119.03413	0.8
121.02858	0.5
133.02870	5.4
137.02402	0.3
149.02376	1.4
151.00301	3.9
159.02985	0.3
161.04401	0.4
169.06549	0.4
175.03969	1.8
179.05589	0.4
198.03162	0.4
199.03969	1.7
201.02020	0.4
204.07600	0.4
213.05598	0.3
217.05063	1.2
223.03932	0.5
232.07338	0.5
241.05084	0.8
243.02992	0.5
256.03836	1.9
257.99469	0.4
265.09842	0.5
266.70035	0.4
279.07733	1.4
284.03409	3.6
285.04099	100.0
286.04449	8.4
293.09384	1.1
294.10147	2.1
311.12955	0.5
312.13376	0.7
328.16470	0.4
329.13931	0.6
330.14252	0.6
347.24829	0.5
371.14975	0.4
372.15610	0.3
390.16412	0.4
430.15808	0.6
434.17242	5.3
435.17456	0.4
447.09393	57.1
448.09787	7.8
448.16266	0.6
449.27676	0.5
450.28098	0.4
451.21655	0.6
466.19104	0.5
478.16144	0.9
509.29556	14.9
510.18719	1.8
510.29974	8.8
511.29440	0.7
536.40228	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	1.3
61.98717	7.0
63.02287	0.3
65.00217	0.5
69.73217	0.8
69.73634	0.8
72.99186	0.3
75.00751	1.5
79.05884	0.2
83.01283	0.4
85.02842	0.5
87.00754	0.3
88.12711	0.3
89.02322	0.4
96.88391	0.3
98.19820	0.5
101.02354	0.5
105.03382	0.3
107.01297	0.8
109.02859	0.5
111.00783	0.7
113.02368	0.4
121.02847	0.3
125.02364	0.3
127.48759	0.3
133.02875	2.3
139.00343	0.3
145.44742	0.3
149.02365	0.8
151.00302	2.7
156.00598	1.6
175.03940	1.2
177.01938	0.3
185.06062	0.3
199.03940	1.0
200.04614	0.3
201.02010	0.3
211.04002	0.4
212.04671	0.3
213.05435	0.4
217.04881	0.6
227.03470	0.5
241.05066	0.5
243.02971	0.4
255.03107	0.4
256.03763	1.7
257.04608	0.3
262.73322	0.2
284.03305	44.3
285.04080	100.0
286.04425	8.7
286.07440	0.6
294.10153	0.5
327.05145	1.0
347.24521	0.4
359.10416	0.3
434.17178	0.5
447.09387	93.0
448.09735	12.8
448.16058	0.5
451.22083	1.5
509.28210	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.5
59.00978	0.8
59.01260	5.2
63.02351	0.4
65.03846	1.3
67.61782	0.4
69.03339	0.9
70.96970	1.0
70.97378	0.9
71.01279	1.2
73.02845	0.5
75.00764	1.2
78.95785	0.6
80.02557	2.3
81.03346	4.3
83.01266	0.6
83.04916	9.6
84.02078	2.0
93.03352	2.7
95.01265	0.9
95.04925	1.9
97.02851	5.0
97.06493	2.0
106.04084	0.4
107.04939	1.3
108.02107	0.6
109.02901	1.2
109.06501	18.6
110.03657	1.3
111.04424	6.1
111.08066	0.7
119.04897	0.4
120.05807	0.5
121.02869	0.8
121.06506	1.7
123.04406	0.5
123.08080	1.6
125.05956	0.6
125.09624	4.7
134.03624	0.5
135.08058	3.4
136.05226	0.6
137.09673	0.6
142.02644	1.0
145.10139	0.6
146.48015	0.4
149.09610	0.6
155.43996	0.4
161.09627	2.0
163.07545	0.5
163.11230	16.0
164.11528	1.2
165.09103	0.6
165.12805	3.2
171.10223	14.9
172.10538	1.2
175.11224	0.8
179.10640	0.5
181.12315	3.7
185.11794	8.3
185.13408	0.5
187.09685	0.6
189.09198	1.7
191.10728	1.7
201.11276	2.1
203.10753	0.6
203.14293	0.6
205.12314	0.7
207.10245	38.3
208.10570	2.9
209.11810	100.0
210.12141	6.2
211.13377	1.1
213.09145	1.0
217.12361	2.0
219.10292	1.1
219.13885	0.7
221.11819	2.3
223.13394	2.4
225.11314	20.8
226.11723	0.9
227.03606	0.6
227.12883	13.8
228.04019	0.6
228.13193	0.6
229.12413	1.0
231.10219	2.8
233.11838	0.7
235.13466	2.1
237.11145	1.0
245.11848	2.0
247.13457	2.6
249.11340	2.9
251.12985	0.9
263.12933	3.5
265.14581	1.3
273.14935	0.5
281.13977	4.1
293.14056	1.0
299.15076	6.3
300.15158	0.7
305.13995	2.1
307.15460	0.7
311.15259	0.6
319.15515	2.2
319.21667	0.5
323.15045	1.3
337.16556	2.3
355.18695	0.6
355.22952	1.1
371.14835	0.6
371.22177	0.9
373.19955	0.9
373.24194	2.4
381.20712	1.0
389.23447	0.6
391.20877	0.6
399.21878	4.7
400.22342	0.9
400.96826	0.4
404.28601	0.5
417.22812	2.0
435.24030	0.5
445.25952	0.5
447.09641	0.6
447.23410	2.2
465.18744	0.7
465.25006	5.1
466.25580	0.9
473.25488	14.6
474.25909	3.0
491.26620	14.8
491.33771	0.8
492.26767	2.5
509.27609	30.3
510.28113	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	507.2817
Annotation	Foliasalacioside H
Peak:m/z	Relative Intensity
50.07133	0.3
55.01764	1.1
57.03334	1.5
58.00483	1.0
59.01263	45.7
60.01606	0.8
61.27269	0.3
61.98718	2.0
68.99722	0.4
69.03349	0.3
69.55850	0.9
69.56268	1.3
71.01269	13.4
72.99190	1.4
73.02834	6.0
75.00766	3.2
80.55296	0.3
83.01268	3.4
83.04913	0.9
85.02842	8.2
85.99998	0.4
87.00768	1.5
88.98689	0.3
89.02337	3.1
95.01295	1.8
95.04894	0.4
97.02833	0.3
97.06479	0.4
98.19860	0.7
99.00776	2.5
101.02345	13.4
103.03906	0.3
107.01290	0.4
109.02902	0.3
109.06493	1.6
111.00802	2.2
111.08081	1.4
113.02351	6.6
115.00298	0.9
116.92791	0.5
117.01845	0.4
118.97980	0.5
119.03429	1.4
121.02863	0.3
121.06506	0.7
123.04467	0.3
123.08074	0.7
124.01694	0.3
125.02375	1.1
125.09640	0.5
125.95662	0.3
129.01860	0.5
139.00294	2.0
139.07570	2.5
140.01094	1.1
149.02451	0.3
149.04546	0.4
151.00316	1.1
153.01901	0.4
155.10764	0.5
159.02934	1.0
161.02341	0.4
161.04466	1.5
163.04015	0.3
165.01855	0.4
175.02443	2.8
177.09091	0.3
178.99788	0.7
179.05531	0.5
181.01311	0.7
195.10188	0.5
199.57396	0.3
209.11833	0.3
220.17645	0.3
227.03528	0.3
242.02182	0.3
243.03000	0.6
249.18639	0.4
269.04590	1.4
271.02484	0.7
285.04120	0.9
289.16660	0.6
299.02124	0.7
303.05063	0.8
313.03482	0.4
331.04678	4.7
332.05188	1.2
361.16611	0.6
369.47400	0.3
387.14627	0.5
389.13690	0.6
389.25531	0.3
411.23877	0.6
427.15976	0.4
429.24530	0.4
447.26031	5.3
447.31821	0.5
448.26129	0.5
489.27045	3.0
490.27435	0.5
507.28177	100.0
508.28488	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	507.2608
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	1.4
59.01268	3.2
62.21381	0.6
70.33469	0.7
70.33808	2.1
71.01282	1.3
75.00780	0.6
80.02563	1.1
81.03349	3.0
83.04897	2.6
84.60265	0.5
93.03357	1.4
95.04916	2.8
97.06483	7.3
107.04950	1.5
108.02074	3.5
109.02843	1.1
109.06518	3.6
111.08105	0.7
113.45132	0.6
121.02861	0.9
121.06512	0.9
122.03684	0.8
123.08096	4.3
125.06027	0.6
125.09637	22.8
126.09930	1.0
133.06561	0.7
135.04417	1.0
135.08095	1.6
137.05925	0.7
137.09637	1.1
147.04474	0.7
147.08102	0.8
149.09694	0.7
153.09045	1.1
159.04388	0.6
161.05974	0.8
161.09702	1.0
163.07552	0.8
163.11189	4.0
165.12773	1.7
169.08459	0.5
171.10182	2.4
173.06178	0.6
173.09636	1.1
175.07590	0.6
175.11203	4.1
185.11794	1.5
187.09785	2.7
189.12752	1.3
191.10684	5.6
193.12279	2.4
201.12735	1.2
203.10684	1.2
203.14330	0.9
207.10214	4.0
209.11806	22.3
210.12112	1.3
217.12288	1.0
219.10234	4.6
219.13757	1.0
220.10596	0.6
221.15392	0.6
223.13440	0.8
225.11281	1.4
229.12378	0.8
231.13889	0.9
235.13374	2.1
237.11319	5.8
245.11772	1.1
251.12958	0.9
261.11249	1.2
263.12888	4.7
273.22284	0.7
283.20639	1.5
293.13986	2.5
299.20236	1.2
301.21756	2.1
309.18729	1.1
311.15173	0.8
317.21216	3.2
325.18149	1.9
325.21646	0.9
327.19626	3.8
328.20203	0.8
343.19089	3.3
345.20789	6.2
346.21164	0.7
353.17535	1.9
353.21390	0.8
361.20215	2.5
369.20758	2.6
371.18613	4.7
379.19284	1.0
387.21875	1.0
387.57840	0.6
389.19684	2.0
397.20276	1.4
415.21213	2.1
419.24463	4.2
420.24786	0.9
435.23859	4.9
436.24408	0.8
445.22342	28.6
446.22787	3.9
451.24811	0.6
461.25714	1.4
463.23456	100.0
464.23746	15.8
471.23843	3.4
477.25220	1.7
481.62128	0.7
489.25031	45.3
490.25372	8.2
507.26080	11.7
508.26193	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	507.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55498	0.8
50.62754	0.8
51.77462	0.9
56.50340	0.7
57.03318	1.6
58.00480	3.0
58.97601	0.8
59.01263	100.0
60.01591	0.9
61.98716	1.9
69.03332	0.9
69.54765	2.1
69.55179	4.7
71.01270	50.7
71.04917	0.7
71.63470	0.8
72.01601	2.0
72.99200	3.2
73.02837	10.5
75.00766	10.3
83.01277	3.3
85.02847	9.3
85.99989	1.6
87.00768	4.8
88.42609	0.8
89.02336	74.0
90.02657	1.0
95.01281	1.6
95.24535	0.9
96.95892	0.7
97.02859	1.0
98.20509	1.5
99.00768	2.0
101.02346	39.5
104.22644	0.9
109.02869	0.8
111.00776	1.7
113.02367	13.1
117.03378	4.8
119.03424	8.6
119.04911	5.2
121.02825	1.1
125.02409	2.7
131.03430	31.9
132.22896	0.7
143.03416	2.2
145.02910	12.9
148.03934	1.9
149.04494	69.1
150.04889	0.9
161.04478	1.3
163.03954	3.1
163.06084	1.6
173.06061	1.0
177.05486	0.9
179.05582	2.6
191.03780	1.0
191.05571	18.0
191.07039	0.8
229.08748	1.0
231.06630	1.1
238.11163	0.9
251.07726	1.4
253.13441	1.5
293.08768	1.0
311.09790	2.3
315.17993	1.2
431.17844	1.0
435.53729	0.9
447.22440	45.7
448.23004	6.5
461.24066	1.3
463.25580	11.0
464.26248	1.3
480.06201	1.0
490.16663	1.3
507.20135	10.6
507.27060	3.7
507.32861	1.3
508.17633	2.7
508.21271	1.4
508.27200	0.8
515.49872	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	3.3
57.03328	4.2
58.00469	2.1
59.01264	74.6
67.65222	0.9
69.03346	1.5
69.79217	1.0
70.15834	2.1
70.16237	3.5
71.01269	58.1
72.01619	1.5
72.99197	2.2
73.02840	13.9
73.87373	0.9
75.00760	1.3
78.98550	0.9
83.01272	6.9
85.02838	19.0
87.00778	3.1
89.02339	32.3
95.01270	3.1
97.02849	3.0
98.19913	1.6
99.00788	5.8
101.02348	37.1
107.06479	1.1
111.00785	3.5
113.02355	17.7
119.03410	2.2
125.02375	3.4
131.03418	17.2
143.03419	2.0
149.04482	7.8
152.65060	1.1
159.02917	2.2
161.04509	10.7
179.75414	1.0
191.05569	3.0
233.06656	1.3
293.08832	1.6
315.18188	11.7
447.22443	100.0
448.22705	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	506.1887
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30131	0.3
58.02863	0.5
59.01261	15.5
64.82782	0.3
68.01290	0.3
71.01271	3.1
71.33256	0.5
72.04441	0.3
72.99182	0.5
73.02844	1.1
74.02370	1.3
75.00769	0.9
85.02840	1.0
87.00738	0.4
89.02344	1.9
95.01276	0.3
96.95945	0.8
97.02831	0.4
99.00781	0.3
101.02338	3.1
101.14112	0.3
102.01877	1.0
103.03906	1.9
104.04295	0.4
108.02075	8.4
108.02814	0.5
113.02401	0.6
115.03922	0.4
116.03445	3.0
117.01836	0.3
119.03441	1.4
123.03168	7.4
124.03519	0.3
125.02341	2.0
136.04144	0.3
138.01900	100.0
138.05525	95.7
139.02251	3.7
139.05003	0.4
139.05905	4.6
145.04996	0.4
161.04552	0.4
163.06070	2.7
180.06633	0.9
247.08244	1.2
261.01431	0.3
300.11273	0.4
307.10400	2.9
308.10226	0.3
438.21411	0.4
446.16751	43.8
447.17072	5.4
447.22446	0.4
463.17990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1527
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02875	0.2
59.01264	1.6
61.98713	0.2
65.11032	0.1
70.89266	0.2
71.01260	0.4
73.02829	0.1
75.00796	0.2
83.01305	0.1
83.03675	0.1
85.02842	0.1
87.00758	0.2
89.02345	0.3
95.01251	0.1
96.95895	0.4
98.02417	0.2
99.44685	0.1
101.02349	0.4
102.01863	0.3
103.03957	0.1
108.02075	7.3
109.02401	0.3
113.02357	0.1
119.03445	0.2
121.02811	0.1
122.02358	0.1
125.02338	0.1
131.03453	0.1
138.01898	100.0
138.05415	1.8
139.02257	3.7
148.29855	0.1
157.37827	0.1
160.59109	0.1
163.06078	0.3
205.07201	0.1
213.60156	0.1
252.94406	0.1
283.77222	0.1
293.41412	0.1
310.30981	0.1
315.12378	0.1
406.11957	0.1
446.17099	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	506.0949
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38663	0.9
57.03332	4.9
59.01270	6.9
63.02286	1.4
65.00203	2.5
71.01262	7.0
71.56321	1.8
72.99209	2.4
75.00768	4.4
83.01286	3.5
85.02841	10.6
87.00769	1.5
89.02354	1.4
95.01289	4.5
99.00800	3.5
101.02345	1.0
103.00290	1.1
107.01292	5.8
109.02850	1.9
113.02361	18.8
117.01865	2.2
117.03381	7.8
123.00813	4.2
123.04413	1.0
124.01574	1.5
125.02366	62.6
126.02712	2.4
129.01909	1.2
135.04431	1.3
140.03471	3.0
147.00891	1.0
149.01192	1.1
149.02370	3.1
150.01878	6.3
151.00288	15.1
159.04500	1.8
160.03964	1.6
161.02422	2.5
162.01927	4.1
167.03426	6.5
168.02972	51.9
169.01440	2.0
169.03314	2.2
171.04507	1.2
175.02481	6.0
175.03918	1.2
176.03554	1.2
177.01912	3.4
178.01328	1.0
178.99811	21.1
186.01926	1.5
192.02991	11.4
192.99969	1.0
193.01408	5.8
193.03149	2.2
194.00917	72.8
195.01276	2.5
197.06035	1.4
201.05556	1.6
202.05081	4.0
204.03003	12.0
208.02565	1.2
210.04160	2.8
213.05501	1.9
218.00989	1.7
225.05614	2.2
226.05150	1.7
236.02051	1.5
241.05035	2.7
244.06181	9.0
259.06262	1.8
267.02896	1.4
268.03751	3.1
268.06348	3.0
269.04611	43.8
270.04706	5.5
284.05753	3.4
285.04065	13.0
286.04361	2.0
287.05756	7.6
294.04471	1.5
295.02573	4.6
302.07016	1.9
312.05212	79.6
313.05829	7.0
330.06250	100.0
331.06796	9.6
344.06293	5.5
355.03244	1.4
368.06134	1.4
369.24399	1.1
370.04163	9.0
372.07339	1.1
376.39456	1.2
386.07272	2.2
445.07941	1.7
488.08774	4.9
506.09473	25.4
507.09613	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	505.3032
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
55.01764	1.3
55.54475	0.3
57.03334	1.2
58.00483	0.5
59.01264	54.6
60.01613	0.8
60.51150	0.3
61.98721	1.0
65.35910	0.3
66.12548	0.3
68.12196	0.3
69.03332	0.4
69.25425	0.8
69.25838	2.5
70.62103	0.3
71.01268	18.2
71.04055	0.3
71.04912	0.6
72.01597	0.5
72.35043	0.3
72.99200	1.8
73.02836	5.4
75.00755	2.0
78.95788	0.7
81.29911	0.3
83.01282	2.5
85.02841	9.4
87.00787	1.4
89.01822	0.5
89.02335	4.5
95.01283	1.9
96.95976	0.3
97.02855	0.5
97.06471	0.7
99.00785	3.0
101.02350	13.1
102.02663	0.4
111.00851	0.6
113.02355	7.5
119.03429	2.0
125.02377	0.7
131.04988	0.3
135.04405	0.5
141.12781	1.2
143.03447	0.4
143.28964	0.3
144.22955	0.3
145.03009	0.3
146.03618	0.5
147.04482	0.7
154.29575	0.3
155.10896	0.3
156.05699	0.4
158.07368	0.3
159.02960	0.9
159.04446	1.2
160.05215	0.9
161.02431	0.8
161.04527	3.1
161.05876	0.5
163.07584	0.5
171.08163	0.6
172.05251	0.7
173.02396	0.3
173.06026	1.1
174.03255	0.4
174.06863	0.5
175.03960	0.5
175.07585	2.0
179.05544	0.5
185.06078	0.6
186.03131	1.0
186.06850	1.2
187.03993	0.8
187.07631	3.8
188.07970	0.5
189.05556	0.9
189.09166	0.7
191.03436	0.9
199.07637	1.1
200.04755	0.4
200.08437	0.5
201.05547	0.9
201.09187	1.4
202.06297	0.9
203.07135	0.5
204.07771	0.4
205.08589	0.4
209.11816	11.8
210.12137	0.8
211.07385	0.3
212.04750	0.6
213.05533	0.5
213.09203	0.7
214.02654	0.9
214.06326	1.1
215.03580	0.5
215.07111	3.4
215.10736	0.6
216.07721	0.9
223.07619	0.6
225.09235	0.9
226.09938	0.5
227.07101	0.4
227.10541	0.4
229.08701	1.0
231.10219	0.7
233.11829	0.3
235.07924	0.4
236.10561	0.7
237.22260	2.2
239.07277	0.3
239.10863	0.5
239.20213	4.8
240.04280	0.7
240.20412	0.5
241.08667	1.1
243.06616	3.0
243.10239	1.6
244.07256	1.2
244.10892	0.8
245.08156	0.7
245.11871	1.1
247.09750	0.4
249.36157	0.3
253.09311	0.9
255.02820	0.3
258.05298	0.5
259.09760	0.7
260.10553	0.5
269.08234	1.1
275.12891	0.5
276.13687	3.4
277.14169	0.6
281.21280	0.4
287.09348	2.6
288.09943	1.8
289.10590	0.4
301.10736	0.6
302.11499	0.5
319.11914	1.4
320.12650	2.0
339.16034	1.9
341.13956	1.5
343.28494	1.0
367.15555	0.5
385.16678	1.5
403.37869	0.3
427.26904	0.4
445.27805	1.6
446.28546	0.4
461.18231	1.1
487.29211	3.7
488.29422	0.8
505.30219	100.0
506.30606	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	505.2584
Annotation	Amoritin
Peak:m/z	Relative Intensity
56.40970	0.6
59.01263	5.5
78.95792	27.6
86.49786	0.5
95.89258	0.5
96.21214	0.6
96.96875	1.7
117.91760	0.6
152.99521	44.4
153.99826	0.8
171.00542	1.7
227.03279	6.0
245.04320	1.4
259.20810	0.6
275.20215	1.0
277.21777	100.0
278.22131	10.8
279.23328	0.7
280.23511	0.7
413.21387	0.9
505.25839	78.1
506.26151	13.0
506.31876	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48055	0.5
55.01775	3.9
57.03335	5.1
58.00483	3.9
59.01266	100.0
60.01612	0.9
61.98711	1.6
68.99715	0.6
69.03342	1.1
71.01271	77.0
71.04911	1.0
72.01592	1.4
72.99194	6.3
73.02833	18.4
74.02345	0.7
75.00766	7.7
78.95793	4.5
83.01281	10.3
83.04942	0.7
84.02060	0.7
85.02842	29.9
85.06490	0.9
85.99963	0.7
87.00769	5.7
87.04396	0.7
89.02336	34.2
90.02688	0.6
95.01287	7.0
97.02843	2.1
97.06490	1.5
99.00183	0.6
99.00787	10.0
101.02348	55.8
107.86689	0.6
111.00788	2.7
113.02362	31.1
113.13838	0.6
114.02634	1.0
119.03416	16.1
121.02882	0.9
125.02338	1.8
125.09661	0.6
129.01817	1.1
131.03400	1.8
133.04948	0.9
134.03596	0.7
135.04401	1.6
138.24638	0.5
141.12772	1.6
143.03445	4.2
143.10690	3.3
146.03665	0.7
147.04398	1.1
148.04018	0.6
149.04414	1.1
149.05959	1.3
158.03625	2.0
158.07213	1.0
159.02879	3.9
159.04204	3.6
159.07991	0.7
160.05183	1.1
161.02310	2.0
161.04507	17.7
161.05856	1.3
161.78491	0.6
162.04785	0.7
163.03926	0.6
163.07568	1.0
171.04404	0.9
171.08022	0.9
171.10156	0.8
172.05289	2.8
173.05963	1.6
174.03079	1.0
174.06778	0.9
174.21918	0.6
175.02449	0.6
175.03961	1.3
175.07558	3.8
177.09082	0.6
179.03323	0.6
179.05487	4.6
183.04333	0.7
184.05182	1.3
185.05939	1.4
186.03119	2.6
186.04573	0.5
186.06836	3.6
187.04008	2.9
187.06189	0.8
187.07605	10.0
188.07904	1.0
189.05429	1.0
189.09138	1.2
191.03345	1.7
196.05348	0.6
197.05972	0.9
199.03839	1.0
199.07497	2.5
200.08383	1.3
201.05376	1.5
201.09073	2.1
202.06102	2.1
203.06943	1.7
204.07741	0.6
205.03444	0.7
209.11650	1.7
210.06654	0.9
211.03990	0.7
212.04736	3.4
213.05440	1.4
213.09123	1.2
214.02602	1.7
214.06270	1.9
215.03520	0.9
215.07117	8.4
215.10529	0.9
216.07666	1.7
217.08453	1.1
223.07539	0.7
224.08260	0.7
225.05510	0.8
225.09137	2.9
226.09671	1.6
227.07065	0.8
227.10518	0.8
228.07806	1.0
229.08571	1.8
230.09422	0.8
231.06670	0.8
231.10080	1.5
236.10435	1.2
237.22081	2.1
238.22551	0.6
239.20207	3.6
240.04161	1.9
241.08517	2.3
242.09279	1.1
243.06638	7.7
243.10207	4.1
244.07324	3.6
244.10869	2.0
245.07901	1.0
245.11696	1.1
253.09259	0.6
255.13658	0.6
257.17471	0.7
258.05246	0.7
259.09622	1.9
260.10223	1.7
265.09998	0.6
269.08115	1.4
270.05005	0.8
270.08664	1.0
271.09607	0.8
275.12775	0.7
276.13666	3.9
283.13333	0.7
285.03839	0.8
287.09329	6.2
288.10004	5.5
289.10345	0.9
301.10861	0.8
313.14169	0.9
319.11920	2.9
320.12729	3.8
321.13297	0.6
323.16519	0.9
325.27295	1.2
339.16095	4.6
341.13980	3.0
343.11505	0.7
343.24689	2.9
343.28592	13.9
344.28592	1.4
353.13629	2.3
357.16916	0.8
367.14984	1.9
385.16602	6.9
445.27472	1.0
459.95145	0.6
461.17429	1.6
487.29181	3.2
505.29739	78.2
505.44431	3.3
506.24222	0.9
506.30099	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	505.1942
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.1
58.00452	0.9
59.01264	46.9
61.98707	2.9
62.09259	0.9
68.95543	1.0
69.03349	1.3
70.35147	1.0
70.69673	0.9
70.96479	3.2
71.01269	29.0
72.99181	2.5
73.02834	9.8
75.00767	3.0
78.95792	2.1
83.01283	4.0
85.02839	8.5
87.00764	6.1
87.04386	1.6
89.02333	17.3
96.95911	44.0
96.96876	4.8
97.02845	1.7
98.02360	3.1
98.20131	1.2
98.95496	1.9
99.00783	2.5
99.01927	1.0
101.02340	29.6
102.34215	1.0
103.03942	7.3
103.77225	1.0
108.02084	7.1
113.02369	7.4
115.00266	1.5
115.03946	2.7
119.03433	6.5
119.04889	1.2
123.37394	1.1
125.02347	4.1
131.03412	5.5
138.01897	100.0
143.03455	5.8
145.04976	2.4
161.04510	2.3
163.06075	21.7
175.02458	2.7
179.03406	1.7
179.05664	1.6
194.05766	1.3
205.07144	9.0
209.08179	7.0
223.06100	2.0
230.02977	1.1
247.08363	2.7
265.09402	2.0
269.12982	1.4
285.04144	1.7
286.04483	1.4
299.11432	10.9
307.10626	1.8
344.07175	1.1
445.17197	44.7
446.17859	4.9
506.29837	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	505.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48636	1.1
51.01294	1.2
53.27396	1.2
55.01765	3.0
57.03344	3.1
58.00483	1.9
59.01264	74.0
61.98719	2.3
67.96951	1.1
69.03365	2.4
70.13044	2.2
70.13450	4.0
71.01269	57.3
72.99207	3.6
73.02838	25.4
74.02377	4.0
75.00758	6.8
78.50693	1.2
78.95774	1.5
81.03334	1.4
83.01275	14.8
85.02843	29.2
87.00769	7.0
89.02336	12.6
95.01299	3.7
96.95911	15.9
96.96879	3.2
97.02849	4.3
98.02364	2.7
98.20383	1.5
99.00793	8.4
99.92467	2.1
101.02345	49.8
103.03925	4.7
113.02349	20.5
115.00314	7.5
115.03888	1.3
116.03480	5.3
116.92767	11.8
117.01820	1.3
119.03415	4.6
121.02862	2.3
121.52859	1.0
125.02348	10.1
129.01984	1.4
137.02385	2.6
143.03436	3.1
145.05045	1.7
151.03949	13.3
152.03424	2.6
157.01395	1.2
159.02968	4.0
161.04518	21.2
163.06087	7.1
168.28664	1.1
175.02443	8.6
201.30121	1.1
205.03490	1.3
205.12372	2.6
229.07231	1.4
243.29576	1.1
247.08237	3.4
299.11414	65.1
300.11737	4.7
307.10416	3.9
325.10992	1.2
343.21832	1.4
445.17227	100.0
446.17584	12.4
505.26556	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	504.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	40.9
65.00205	9.9
69.70722	18.0
71.01263	18.6
73.02838	5.1
75.00764	12.9
83.01278	7.7
85.02872	4.4
87.00772	6.3
89.02340	14.0
93.03365	3.4
101.02335	8.0
107.01328	16.8
108.02077	3.9
109.02869	30.8
113.02364	7.5
119.03426	3.6
120.99554	15.1
125.02389	22.1
128.45325	3.3
129.02124	3.0
131.03459	3.1
133.02873	38.8
135.04431	8.4
137.02377	35.7
147.03151	6.5
148.01572	4.5
149.04515	5.8
149.89548	2.8
151.00314	73.6
152.00589	3.5
153.01845	9.3
160.03946	7.6
161.02419	15.5
164.03500	32.1
165.01839	5.3
167.03438	4.2
169.01355	3.2
175.00284	7.3
176.01085	9.5
177.01907	32.4
178.99794	12.9
179.03471	18.6
181.01425	4.7
183.04440	3.8
187.02631	6.8
188.03491	11.5
190.01375	7.3
190.05096	15.9
192.00652	7.6
193.01402	4.2
201.01749	5.7
202.01527	4.8
204.00415	4.6
205.01407	21.8
205.03421	4.4
206.04521	17.7
211.04066	4.4
216.03094	7.0
227.03441	5.6
230.01041	8.5
231.01706	59.4
232.02487	53.5
233.02753	4.5
240.04279	3.6
241.05019	4.5
243.03105	6.0
255.03012	89.8
256.03757	23.5
257.04416	8.1
268.03763	5.1
269.04535	9.9
283.02515	62.5
284.03287	35.0
285.03885	12.4
287.05753	5.5
296.03336	9.5
297.04031	31.4
298.04294	4.6
299.05298	3.3
300.02652	12.0
300.05280	10.2
301.03546	34.9
313.03146	4.3
314.06857	13.3
323.04324	12.1
324.05200	66.1
325.05569	7.5
326.08804	11.6
328.15427	4.0
338.06848	7.3
341.05246	16.1
342.02554	5.2
342.06223	91.7
343.06665	12.2
355.06714	4.1
366.05756	3.9
368.09811	7.6
379.52701	3.3
394.07834	100.0
395.08142	13.2
419.09918	25.1
446.08618	31.9
447.09045	7.1
463.08884	13.9
464.09546	3.8
476.12238	5.2
486.10553	78.6
487.10748	12.5
504.11783	88.2
505.11813	15.8
505.17905	8.3
505.26813	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	503.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57737	1.2
58.00487	1.8
59.01265	100.0
60.01575	1.6
71.01275	12.2
72.99188	1.5
73.02823	4.7
73.03267	1.1
75.00765	3.3
79.64724	1.5
83.01308	2.3
85.02827	7.0
89.02328	5.6
95.01238	1.4
96.75935	1.2
97.30479	1.2
98.19772	3.7
99.00780	2.4
101.02347	8.3
113.02340	5.9
143.77907	1.2
146.30743	1.5
159.74324	1.3
161.04504	4.0
191.03493	2.1
194.91696	2.4
229.81364	2.0
229.83527	1.8
399.24094	11.2
417.25018	16.0
418.25476	2.0
429.62283	1.3
477.22849	1.5
503.26486	2.5
503.33261	2.3
523.60461	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	503.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	1.2
59.01263	100.0
59.21028	0.9
60.01609	1.5
60.33076	0.9
61.98717	1.5
69.34818	9.9
71.01266	13.1
72.99167	1.6
73.02850	9.4
75.00756	3.5
77.47462	0.9
78.95799	9.4
83.01277	2.3
85.02843	6.5
87.00780	2.7
89.02330	5.0
95.01234	1.2
96.34503	1.0
96.96844	6.0
99.00789	1.6
101.02335	10.1
110.51193	1.1
113.02366	10.1
115.00251	1.3
119.03407	2.0
125.02385	1.0
143.03421	1.3
154.73331	1.0
161.04497	3.1
175.02434	2.7
224.66806	1.0
306.48209	1.3
309.15060	1.6
327.16238	1.5
350.02426	1.0
364.11835	1.0
382.05908	1.0
399.24014	9.1
417.20416	1.8
417.25024	2.7
443.18924	1.3
446.90530	1.0
459.22287	26.2
460.22720	4.1
496.95563	1.0
503.28168	13.9
504.27838	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	503.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61395	0.2
52.73904	0.2
53.34181	0.2
57.03336	0.3
59.01263	100.0
60.01612	0.9
61.01694	0.2
66.03479	0.2
66.52185	0.2
69.60425	1.7
71.01271	2.7
72.99190	0.4
73.02833	1.7
75.00759	1.1
78.95795	0.5
81.18246	0.2
83.01292	0.4
85.02837	1.3
87.00774	0.7
89.02336	1.3
95.01256	0.3
96.95917	0.7
98.19835	0.4
99.00788	0.3
101.02337	2.2
103.03878	0.4
113.02355	1.0
119.03413	0.4
125.02355	0.6
128.19394	0.3
135.08046	0.3
138.77991	0.3
161.04570	0.5
163.06073	0.6
205.62981	0.2
228.21275	0.3
307.10333	0.5
309.14996	0.3
387.23636	0.3
401.22061	0.3
443.22849	1.0
503.25034	7.8
504.25397	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	503.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03322	1.7
58.00484	1.2
59.01264	100.0
60.01597	1.8
61.98725	2.2
69.56344	2.1
69.56750	5.1
71.01268	35.0
72.66889	0.9
72.99197	2.4
73.02837	16.8
73.09311	0.8
74.02350	1.5
75.00766	6.8
78.95786	9.1
83.01290	3.9
85.02844	9.4
87.00767	4.9
89.02332	20.8
93.91456	0.8
95.01279	2.1
95.04908	0.9
95.36647	0.8
96.95930	4.7
96.96854	5.3
97.02836	1.3
98.19830	1.5
99.00791	3.1
101.01705	1.8
101.02345	21.8
107.86283	0.9
113.02354	11.4
113.05965	0.8
115.00295	3.1
118.98006	0.9
119.03420	4.6
121.02861	1.2
123.04398	0.9
125.02373	2.4
131.03459	5.0
143.03438	1.0
149.04515	8.0
152.00981	1.0
157.01476	1.2
161.02356	1.0
161.04507	2.3
163.06093	1.5
164.03394	1.1
173.04785	1.0
175.02483	4.5
176.07036	0.9
179.05568	1.1
224.50713	0.8
226.22063	0.9
237.14972	3.0
243.41273	1.0
255.11473	2.4
267.63260	0.8
271.86679	0.8
281.14032	2.7
281.17603	1.1
299.10144	2.5
307.10657	1.1
309.14975	1.1
327.13110	1.3
341.19470	1.2
353.13559	1.1
399.24301	1.6
410.97586	1.1
417.21420	5.9
441.21106	1.2
459.22412	64.0
460.22705	10.3
485.15741	1.3
498.87613	1.1
503.16656	2.3
503.27396	10.2
504.28241	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	503.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	1.4
57.03322	1.7
58.00484	1.2
59.01264	100.0
60.01597	1.8
61.98725	2.2
69.56344	2.1
69.56750	5.1
71.01268	35.0
72.66889	0.9
72.99197	2.4
73.02837	16.8
73.09311	0.8
74.02350	1.5
75.00766	6.8
78.95786	9.1
83.01290	3.9
85.02844	9.4
87.00767	4.9
89.02332	20.8
93.91456	0.8
95.01279	2.1
95.04908	0.9
95.36647	0.8
96.95930	4.7
96.96854	5.3
97.02836	1.3
98.19830	1.5
99.00791	3.1
101.01705	1.8
101.02345	21.8
107.86283	0.9
113.02354	11.4
113.05965	0.8
115.00295	3.1
118.98006	0.9
119.03420	4.6
121.02861	1.2
123.04398	0.9
125.02373	2.4
131.03459	5.0
143.03438	1.0
149.04515	8.0
152.00981	1.0
157.01476	1.2
161.02356	1.0
161.04507	2.3
163.06093	1.5
164.03394	1.1
173.04785	1.0
175.02483	4.5
176.07036	0.9
179.05568	1.1
224.50713	0.8
226.22063	0.9
237.14972	3.0
243.41273	1.0
255.11473	2.4
267.63260	0.8
271.86679	0.8
281.14032	2.7
281.17603	1.1
299.10144	2.5
307.10657	1.1
309.14975	1.1
327.13110	1.3
341.19470	1.2
353.13559	1.1
399.24301	1.6
410.97586	1.1
417.21420	5.9
441.21106	1.2
459.22412	64.0
460.22705	10.3
485.15741	1.3
498.87613	1.1
503.16656	2.3
503.27396	10.2
504.28241	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	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	3.6
57.03336	4.3
57.11917	1.0
58.00483	1.5
59.01265	100.0
61.98713	2.3
69.45718	3.6
69.46144	5.1
71.01271	58.3
72.01585	1.1
72.99202	4.8
73.02835	24.4
75.00762	9.1
78.95781	1.4
83.01289	12.1
84.02052	1.1
85.02838	23.5
87.00774	5.4
87.04394	1.2
89.02338	22.2
93.03352	1.1
95.01302	3.6
95.95985	1.0
96.95924	3.9
97.02867	3.3
98.19867	2.7
99.00798	7.6
99.04430	1.6
101.02350	44.9
102.02692	1.9
103.03944	3.0
104.31002	1.1
107.01332	1.1
111.00773	2.1
113.02357	21.5
113.06004	1.3
115.03932	2.1
118.97982	1.3
119.03421	4.6
125.02383	3.3
131.03426	5.0
137.02357	1.3
137.06082	1.2
143.03436	3.6
145.05005	1.9
146.08147	3.1
147.08408	1.3
149.04567	5.3
149.05782	1.1
152.01027	2.2
154.14893	1.1
159.02950	2.8
161.04497	16.2
163.06087	8.0
164.85155	1.3
179.05623	1.4
180.06642	1.7
203.10809	1.3
233.06664	1.2
237.14981	8.7
259.50171	1.4
269.04639	2.7
275.00897	1.1
279.15921	1.5
281.13962	1.9
285.04123	2.1
293.09012	1.5
295.66397	1.2
297.13525	45.4
297.16705	1.8
298.13950	3.9
312.16055	1.3
323.15079	1.3
327.05191	3.9
341.16074	16.8
371.20959	6.2
412.16028	1.4
443.19257	78.4
444.19577	11.2
459.22659	1.5
503.25330	36.5
504.26385	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	503.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	3.2
57.03322	2.7
58.00475	1.8
59.01263	82.3
60.01612	0.9
60.77763	0.8
61.98708	2.5
68.34653	0.9
69.03342	0.9
71.01270	56.9
71.30415	1.8
72.99192	4.2
73.02448	1.8
73.02832	23.6
75.00759	8.9
83.01271	15.5
85.02843	23.9
87.00748	4.4
89.02329	21.1
95.01280	3.2
96.95902	5.6
97.02843	2.1
99.00762	5.6
101.02347	47.4
102.02686	2.5
103.03905	4.2
109.09592	0.8
113.01637	1.6
113.02358	22.6
114.02675	1.1
116.04958	1.3
119.03396	7.0
119.04744	1.0
119.91677	0.9
120.99570	3.2
125.02367	4.8
131.03400	2.3
137.02310	1.1
143.03400	3.0
145.04950	0.9
149.06003	2.1
159.02878	3.1
161.04494	18.1
163.06052	5.0
175.02440	1.2
179.05545	2.6
191.05475	1.0
205.07025	1.4
210.25986	0.9
218.63669	1.0
225.11484	1.0
237.14920	1.0
247.08205	1.7
248.09190	2.6
256.03250	1.0
269.04568	2.7
274.07242	4.2
281.12933	1.1
285.04175	1.8
292.08307	11.3
293.08777	1.3
297.13480	49.0
298.13821	3.7
311.09283	1.0
327.06671	1.6
341.12604	1.0
410.67126	1.0
443.19250	100.0
444.19693	12.2
493.88443	1.2
503.25513	11.4
504.27829	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	503.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.7
57.03320	1.0
58.00482	1.0
59.01265	100.0
60.01608	0.6
61.98725	0.8
63.62944	0.4
63.76632	0.5
69.03348	1.7
71.01270	16.2
71.56204	0.7
72.99204	2.6
73.02833	7.6
75.00764	3.9
78.95811	0.8
81.03350	1.4
83.01299	2.3
85.02843	6.2
87.00768	2.6
87.04445	0.6
89.02335	9.4
91.11290	0.6
95.01304	0.6
96.95912	3.1
97.02866	2.4
97.06463	0.9
99.00789	1.3
101.02350	13.0
103.03912	6.9
103.04530	0.5
113.02383	2.2
118.98032	0.5
119.03414	3.9
125.02367	9.4
127.03982	0.9
131.03458	0.6
135.08105	6.7
143.03467	1.1
145.05080	1.2
161.04515	1.2
163.04005	0.7
163.06071	9.1
171.10252	0.6
179.05493	0.5
201.11279	0.6
237.15149	0.7
247.08379	1.9
269.04572	0.6
281.17410	0.5
307.10443	12.6
308.10941	0.7
309.15021	0.8
327.16269	1.0
356.16702	0.6
371.15091	1.1
387.24146	1.0
443.18869	2.8
459.22617	1.2
503.25226	8.9
503.31967	0.7
504.25955	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	502.1
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83453	0.6
57.03322	0.9
59.01268	3.9
63.02269	1.0
65.00210	3.8
67.12865	0.6
69.45099	2.6
69.45530	2.6
71.01263	4.0
72.99200	1.0
75.00741	2.3
83.01269	3.1
85.02834	5.9
87.00767	1.4
89.02320	0.7
93.03357	1.2
95.01277	2.6
98.20623	1.2
99.00766	1.9
103.00270	0.9
106.57150	0.7
107.01280	6.3
109.02907	3.3
113.02348	9.6
115.00245	0.9
117.03360	5.5
119.77329	0.7
121.02798	0.7
122.02393	1.1
123.00787	0.7
123.22808	0.7
124.01531	1.9
125.02348	10.8
133.02859	2.1
135.04526	0.8
136.92426	0.6
137.02373	29.7
138.02713	1.4
143.04910	0.8
146.02415	1.0
149.02374	1.6
149.12279	0.6
151.00310	17.6
152.01065	1.2
156.04474	1.2
161.02365	2.7
163.00319	1.3
163.02632	0.7
164.03481	40.1
165.01941	0.8
165.03757	1.8
173.06026	0.7
174.05519	2.0
175.02460	2.5
177.01868	3.2
178.99782	2.3
179.03436	2.4
185.06075	1.1
188.03563	1.0
190.01479	0.8
192.00591	1.5
198.05498	0.7
199.03955	0.8
205.01384	3.0
206.04588	4.3
213.05516	1.5
215.03488	0.8
217.05075	1.2
227.07193	0.8
229.05017	1.5
232.02588	5.0
239.03491	0.8
240.04277	1.2
240.06570	0.9
241.05026	4.3
253.05141	4.7
255.06482	0.8
256.06308	1.5
257.04556	5.3
268.03812	9.4
269.04587	12.3
271.06177	4.3
272.06534	0.8
281.04590	9.1
282.04819	0.9
282.07773	1.1
284.05701	5.3
285.04089	23.5
286.04575	3.2
298.07239	10.9
299.05411	1.8
308.05710	24.1
309.06039	2.2
326.06750	100.0
327.07169	9.8
328.00845	0.6
339.41946	0.7
340.06897	2.9
360.69870	0.7
368.07831	1.1
382.07828	2.1
474.10547	0.7
502.10043	23.9
503.10220	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	501.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94514	0.4
55.01763	0.5
57.03353	0.8
59.01263	100.0
60.01599	1.3
61.98717	2.2
67.01785	0.9
71.01260	6.1
71.04916	0.3
71.56871	0.6
72.99197	1.1
73.02832	2.8
75.00767	3.6
78.32690	0.4
78.95807	1.3
83.01267	0.9
83.04912	0.4
85.02839	2.0
87.00768	4.4
87.01191	0.4
89.02328	2.7
95.01315	0.5
96.95907	0.6
96.96892	0.6
97.06501	0.5
99.00784	1.1
99.04401	0.5
101.02338	5.1
111.00787	33.5
112.01121	0.9
113.02343	2.7
115.00272	1.4
116.92775	0.8
119.03423	1.2
123.07992	0.5
131.03401	0.4
141.09164	2.0
143.03450	0.5
149.04527	0.5
161.04497	1.8
173.00876	4.4
175.02521	1.5
183.55180	0.4
185.06055	0.5
191.03484	0.6
209.11803	2.3
210.12228	0.9
241.05074	0.7
299.18732	0.4
339.25656	0.5
357.63901	0.6
374.31760	0.4
387.01413	0.4
441.24649	0.5
457.24741	0.4
457.35529	0.5
501.24460	1.4
501.31006	5.4
502.16943	0.5
502.24243	0.6
502.31107	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	501.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.2
57.03326	0.3
58.00452	0.3
59.01264	100.0
60.01606	1.3
61.98724	0.4
70.86039	0.4
70.86371	0.5
71.01266	3.4
72.99207	0.4
73.02847	1.1
75.00772	0.6
75.35155	0.2
78.95802	0.8
82.88055	0.2
83.01283	0.5
85.02840	1.7
85.03297	0.3
87.00775	0.3
87.04414	0.4
89.02333	2.3
96.95940	0.5
96.96867	0.5
97.27222	0.3
99.00777	0.4
101.02351	2.0
107.97122	0.3
113.02359	1.8
119.03431	0.8
125.02332	0.4
151.33266	0.3
153.13051	0.3
161.04549	0.4
179.05603	0.5
193.06636	0.7
226.23544	0.3
249.48984	0.3
285.04211	0.4
337.24646	0.3
389.59067	0.3
399.24216	0.4
463.77197	0.4
501.24823	0.4
501.32162	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	501.272
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	0.8
59.01263	100.0
59.42332	0.4
60.01593	1.0
61.98714	1.7
63.20232	0.4
70.77072	1.1
71.01264	4.3
72.99215	0.8
73.02821	0.9
74.39604	0.4
75.00760	4.0
78.95818	1.2
83.01275	0.4
85.02866	1.6
87.00770	2.2
89.02337	2.4
96.10452	0.3
96.95911	1.0
96.96918	0.5
99.00783	0.6
101.02351	2.5
111.00787	11.2
113.02336	2.2
115.00279	0.7
119.03394	1.3
135.04433	0.8
135.69159	0.4
145.80902	0.4
154.74794	0.4
161.02403	0.4
161.04515	0.9
173.00906	1.4
175.02509	0.5
193.05038	0.5
207.10298	0.6
209.11815	3.0
210.12222	1.2
215.13268	0.3
239.59523	0.7
241.05176	0.9
339.12466	1.1
357.14032	0.5
399.24170	0.7
441.25021	1.9
457.24338	0.4
501.31912	2.2
502.31064	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95087	0.5
55.01772	2.4
57.03334	2.4
58.00463	0.8
59.01264	45.2
61.98703	0.9
69.03336	0.8
70.05168	1.9
71.01269	27.9
72.01603	0.5
72.99191	1.6
73.02833	16.8
73.03250	0.8
75.00762	2.1
76.18604	0.4
78.55749	0.4
83.00855	0.3
83.01275	11.6
85.02840	17.6
85.99994	1.2
87.00769	2.0
89.02348	2.9
95.01244	2.1
97.02858	1.4
99.00778	5.4
101.02343	40.5
102.02694	0.7
103.03905	1.7
105.49934	0.5
113.02351	13.2
119.03431	0.6
125.02337	1.6
126.59378	0.4
129.01857	0.6
132.43672	0.4
143.03441	2.1
145.04956	0.7
159.02931	2.1
161.04494	10.5
163.06068	0.8
164.76363	0.4
199.13405	0.9
204.21951	0.4
247.08209	0.7
291.18198	53.3
292.18585	4.9
329.23407	0.4
374.41254	0.5
387.10303	0.5
398.32544	0.5
398.86749	0.4
437.24008	100.0
438.24332	14.1
497.21307	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52282	0.7
55.01770	2.5
57.03326	3.5
57.25799	0.8
58.00469	0.9
59.01264	63.6
59.18351	0.6
60.01596	0.8
61.98724	4.2
63.00319	0.6
65.89648	0.6
69.03326	2.0
70.48166	3.0
71.01270	46.2
72.01617	1.1
72.99187	2.5
73.02445	1.4
73.02834	19.8
75.00760	5.1
78.95811	0.8
83.01278	10.9
83.04910	0.8
85.02839	22.4
86.03207	0.8
87.00764	2.2
87.04385	0.9
88.98692	2.0
89.02325	7.5
95.01284	3.2
97.02852	3.1
98.19961	0.8
99.00765	7.1
101.02344	35.6
103.03920	4.6
108.68639	0.7
111.00765	0.9
113.02351	19.3
114.02640	0.9
119.03432	3.3
125.02364	5.7
143.03412	2.3
144.32339	0.7
145.05058	1.7
159.02934	2.9
161.04489	17.1
163.06084	4.2
205.03638	0.9
229.07219	1.1
241.80252	0.9
247.08226	2.1
289.16629	41.0
290.17041	4.1
301.35724	0.8
327.21790	1.1
345.55600	0.7
400.90720	0.8
419.18341	0.9
435.22415	100.0
436.22760	10.9
495.29541	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	497.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.4
57.03343	3.1
58.00474	1.4
59.01264	70.7
60.01599	1.3
61.98717	8.1
68.35833	0.5
69.03348	1.0
71.01267	36.3
71.04925	1.5
71.05280	0.7
72.01597	1.2
72.99208	3.3
73.02834	19.9
75.00765	7.2
78.95773	0.9
81.03356	0.7
83.01276	11.6
85.02839	19.1
85.99996	1.2
87.00784	2.7
89.02339	5.6
95.01277	1.7
96.95901	1.1
97.02851	1.6
99.00787	5.8
101.02344	41.2
102.02694	0.6
103.03897	1.4
111.00735	0.7
113.02351	14.2
114.02700	0.9
115.03938	0.8
119.03389	1.5
123.08086	0.7
125.02346	2.5
127.03918	0.8
129.01836	1.0
131.03459	0.5
135.08098	1.3
139.11227	0.6
140.98892	0.8
143.03444	1.3
145.05058	0.8
149.04472	0.8
151.07579	1.7
159.02902	2.3
161.04503	8.8
163.06079	1.2
167.10713	2.4
171.10269	1.0
229.07150	0.8
231.13911	1.6
247.08281	0.9
249.11136	1.6
285.04077	0.5
291.18201	58.5
292.18500	3.9
335.17276	0.9
405.98871	0.7
437.23984	100.0
438.24313	14.3
453.21039	0.8
479.30017	0.7
497.27057	2.2
497.31256	2.9
498.32239	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08414	0.3
55.09111	0.3
57.03337	4.9
59.01264	100.0
60.01608	1.3
61.98723	1.9
69.03349	0.5
71.01268	3.9
71.04900	0.3
71.57019	0.4
72.99194	0.6
73.02836	24.1
74.03182	0.7
75.00769	2.6
78.95783	0.5
83.01295	0.6
85.02843	9.9
87.00793	0.4
87.04410	17.4
88.04748	0.6
88.98711	0.3
89.02351	1.7
96.95936	0.4
97.06474	0.3
101.02342	3.6
103.03912	75.7
104.04215	1.8
107.65654	0.3
109.02841	0.4
113.02358	1.4
115.03925	0.3
119.03381	0.4
120.22670	0.3
125.02340	1.2
131.03447	0.6
133.02852	0.4
143.03352	0.6
143.10683	1.4
150.05504	0.5
151.00305	1.4
161.04437	1.1
163.06088	2.3
171.13802	1.1
205.07051	0.6
253.05128	0.3
284.03268	0.4
289.16409	0.5
307.17691	0.4
309.04120	0.7
347.16748	0.4
349.18713	1.3
369.13281	0.3
393.21262	0.4
405.21304	2.5
420.19037	1.0
428.02039	0.3
433.13025	0.7
435.18018	0.9
435.22351	1.1
435.28021	0.5
451.13840	0.8
452.14578	0.5
464.18173	1.5
477.15182	0.4
495.16785	7.1
495.30542	3.3
496.16907	1.3
496.29486	0.3
517.18701	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91957	0.4
57.03329	1.1
58.00469	0.8
59.01263	21.4
60.01589	0.5
61.98716	22.5
63.99133	0.4
65.17337	0.4
65.48035	0.4
71.01269	12.3
72.99180	2.2
73.02847	0.9
74.98975	0.7
75.00757	2.4
80.04939	1.1
81.03329	0.5
81.58279	0.4
83.01278	1.0
83.04903	1.3
84.02058	0.7
85.02853	3.1
87.00768	1.3
89.02331	10.5
95.01269	1.1
95.04898	0.4
97.06519	0.4
101.02346	7.3
106.06541	0.4
108.04455	9.5
113.02352	3.9
119.03407	4.2
121.05235	1.2
122.06001	1.2
122.57523	0.5
125.02348	0.6
132.04428	0.4
134.05011	0.3
134.06033	0.6
135.04449	0.5
136.07607	15.8
137.02405	0.4
137.07924	0.5
138.05521	1.4
140.07126	0.5
140.80562	0.4
142.07639	0.3
146.86395	0.3
147.03127	1.7
148.03923	1.1
149.04366	0.4
151.00308	0.5
153.01784	0.4
161.04463	1.0
162.05566	6.2
163.11191	1.1
165.01915	0.6
165.12799	0.5
166.05087	1.9
167.05418	0.5
169.01311	0.6
179.05737	0.4
184.11298	0.6
188.07048	0.4
198.07852	0.9
200.05908	0.5
200.10825	0.6
202.12393	0.5
209.11809	25.5
210.12077	1.6
212.09554	0.9
213.06627	1.9
216.06587	0.6
217.07449	0.4
225.10330	0.6
227.08296	0.5
227.13112	2.9
228.08739	0.6
228.10594	0.5
228.13188	0.4
229.09857	1.2
230.08258	0.4
231.11372	0.4
238.07486	1.8
239.08154	0.5
241.06203	1.0
242.06900	2.4
243.11362	1.9
246.11450	0.8
253.09595	5.8
254.10437	0.8
255.07845	0.6
255.11459	1.1
256.08527	1.7
268.03693	0.7
269.04266	1.6
270.04565	0.6
270.10120	1.7
271.10928	100.0
272.11252	9.9
285.04111	0.9
333.13574	1.0
333.26379	0.5
379.12900	0.7
408.16745	0.7
432.10089	2.3
433.16238	0.8
435.25537	0.8
451.17184	1.3
452.17789	0.5
494.28488	0.6
495.16159	7.9
495.26581	2.0
495.31879	1.6
496.16977	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29817	6.4
59.01259	100.0
61.98715	53.4
70.45906	11.0
70.46258	27.0
71.01281	57.2
72.99200	15.1
73.02826	16.1
75.00760	61.7
81.57506	8.4
83.04897	21.5
85.02835	25.2
87.00770	16.3
88.98683	8.2
89.02343	44.3
96.95920	12.9
100.00405	8.0
101.02366	37.4
101.06041	11.9
103.03900	8.6
107.11018	8.7
113.02325	22.2
115.14448	7.2
119.03393	17.3
125.02422	14.7
126.99451	26.7
135.04478	11.1
137.02402	9.7
145.04980	44.1
151.03949	30.8
163.06070	9.4
171.10228	15.6
187.90749	9.5
209.54385	7.2
215.12747	8.5
241.05042	9.8
267.64896	8.9
277.92151	7.7
343.08069	19.2
448.71399	8.7
469.06921	8.7
495.12781	63.4
495.24716	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99221	1.3
57.03330	3.3
59.01265	12.4
64.94132	1.3
65.00200	6.9
68.99710	1.9
69.03352	1.5
69.44425	12.5
71.01269	10.8
72.99197	7.7
73.02808	1.8
75.00756	5.8
81.03322	1.5
83.01268	5.3
85.02850	17.6
87.00777	2.1
89.02328	3.0
93.03353	5.5
95.01279	12.5
97.02847	1.7
99.00776	11.6
101.36838	1.2
103.00240	3.2
106.02537	1.4
107.01305	8.8
108.02096	1.6
109.02849	4.3
111.00816	8.7
113.01628	2.7
113.02358	33.3
115.00253	2.9
117.01874	2.2
117.03384	8.6
119.01298	2.4
121.02869	8.8
122.55279	1.5
123.00774	4.9
123.04343	2.1
125.02371	22.9
129.01872	2.1
133.02899	3.4
135.00777	3.1
135.04454	2.3
136.98726	2.3
137.02388	9.7
139.00294	24.5
140.01112	17.2
141.01898	16.3
143.04924	1.6
148.01581	2.1
149.02386	13.7
150.99133	2.6
151.00298	31.8
152.00909	2.0
153.01886	12.9
157.01361	5.9
159.04433	2.6
161.02341	3.4
163.00288	5.6
163.03925	3.1
165.01884	15.4
166.99811	14.0
169.01404	10.5
171.04402	1.9
175.02448	9.1
175.03731	1.8
177.01840	5.0
178.99831	16.7
180.00243	2.1
181.01392	13.6
182.02138	5.2
183.02904	5.3
183.04407	2.9
185.00708	1.6
185.05994	2.2
187.03949	4.5
189.05409	1.6
190.99901	2.4
191.03419	2.6
192.00609	1.7
193.01373	18.0
193.03503	5.7
197.00832	4.1
199.02505	7.1
199.04002	1.5
201.05508	1.6
203.03561	3.0
206.99199	1.7
208.00067	2.3
209.00836	8.0
211.03961	1.8
213.05547	4.8
215.03467	3.5
217.05061	4.4
219.02998	2.7
225.00446	3.7
229.05016	5.9
231.03015	5.7
233.04544	3.4
239.03427	2.8
241.05106	2.7
243.03047	2.8
245.04550	5.8
255.03079	9.9
256.03519	1.7
257.04568	13.2
259.02481	1.8
268.03787	5.8
269.04599	24.8
270.04892	3.3
273.04068	12.3
275.05640	3.5
283.02521	11.9
284.03256	12.4
285.04095	100.0
286.04367	9.8
301.03564	64.6
302.04224	16.7
319.04617	43.5
320.05295	6.5
345.04486	2.0
357.04675	3.2
375.05759	2.6
385.04095	4.0
445.07736	8.9
461.07526	7.1
478.07339	3.5
495.07852	17.0
496.08392	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	494.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93321	0.2
55.70623	0.2
57.03339	0.7
57.26590	0.2
58.00476	0.3
59.01266	11.0
61.98717	100.0
62.98402	0.4
64.64951	0.2
65.00184	0.2
68.99721	0.4
71.01276	5.4
71.56200	0.4
72.99204	0.8
73.02844	0.7
74.99000	0.3
75.00768	1.6
79.05431	1.0
80.04953	0.4
83.01310	0.4
83.04909	1.9
85.02839	1.6
87.00779	1.1
89.02339	3.9
95.01292	0.5
95.04911	0.4
96.04464	0.6
97.06493	1.5
99.00771	0.5
101.02338	3.7
108.04458	2.8
109.02895	0.5
109.06519	1.1
110.02235	0.2
111.00819	0.3
113.02359	2.3
115.03939	0.3
118.98006	1.0
119.03435	1.5
120.04462	2.0
121.04789	0.3
122.06021	0.3
123.04469	0.4
123.08104	0.4
125.02395	0.3
125.09670	0.4
136.07614	4.6
137.02335	0.3
137.04750	0.3
137.09660	0.6
138.05537	3.9
139.05867	0.6
139.07591	0.3
143.03348	0.4
147.03192	0.8
148.03978	7.6
148.35344	0.3
149.04320	1.9
151.00313	0.6
151.11275	0.3
161.02380	0.2
161.04541	0.5
162.01715	0.3
162.05585	2.0
163.11220	0.4
164.07086	0.4
165.04230	0.5
166.05046	18.7
167.05402	5.5
168.05487	0.3
171.06601	1.4
189.12849	1.1
198.07933	0.3
202.12366	0.3
205.12389	0.3
207.13843	0.5
209.11836	5.4
211.10112	0.3
212.09497	0.5
213.06697	0.7
227.12839	1.1
229.09824	0.5
238.07603	0.6
240.04250	0.3
242.07123	0.4
243.11459	0.7
246.11325	0.3
251.12929	0.9
253.09811	1.7
254.10802	0.3
255.07719	0.5
255.11488	0.3
256.08664	0.5
261.12457	0.7
262.12613	0.4
268.03821	9.4
268.06696	0.5
269.04575	4.3
269.13901	0.9
270.05106	0.5
270.10162	0.4
271.10934	37.0
285.04175	0.6
287.14093	0.6
288.14386	0.6
328.10403	0.3
331.13074	6.5
331.25089	0.6
332.13367	6.2
333.13461	0.5
431.09927	14.4
432.10205	1.9
433.15594	0.3
433.24435	1.1
434.24908	0.6
451.17169	0.7
493.18643	1.5
493.28281	8.3
494.18707	5.1
494.28445	5.7
495.09155	0.4
495.16162	3.3
495.26874	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2821
Annotation	Herkesterone
Peak:m/z	Relative Intensity
55.01765	0.8
57.03338	5.8
59.01266	14.8
60.01597	0.6
60.99186	0.9
61.98709	1.3
64.26407	0.5
69.03342	1.3
70.49426	0.5
71.01265	5.7
71.04916	1.1
71.58630	0.5
71.59078	0.8
72.99194	1.2
73.02834	1.8
74.98994	0.5
75.00755	3.9
75.59701	0.4
79.05424	6.5
81.03296	0.6
82.86068	0.5
83.01282	0.8
83.04466	0.8
83.04917	10.4
85.02839	2.8
87.00786	1.2
89.02339	2.5
93.03361	0.8
93.06989	1.1
95.01274	1.0
95.04900	2.8
96.95910	1.7
97.02892	0.6
97.06490	11.9
98.06847	0.5
99.00779	1.1
101.02350	5.7
107.04912	1.6
109.02869	1.4
109.06493	9.2
111.08064	0.5
113.02391	2.9
115.03902	2.6
118.98020	2.3
119.03411	0.8
120.99572	2.3
121.06496	1.4
123.08067	5.7
125.02361	1.0
125.06030	4.3
125.09634	1.4
127.07524	0.9
129.06963	0.5
133.10193	0.7
135.04466	0.7
135.08067	1.4
137.02348	0.6
137.09660	5.2
139.00269	0.9
141.05484	1.3
145.10168	1.0
147.08104	0.9
149.02434	0.6
149.09642	1.7
151.00261	1.1
151.07594	0.5
151.11154	0.6
153.01804	1.0
153.05489	0.7
161.04529	1.4
163.00310	1.8
163.11235	2.2
165.09087	0.6
167.10777	0.7
171.06578	11.2
171.11703	1.4
172.07001	0.5
173.09665	0.9
175.11209	0.7
177.12805	0.9
178.99782	0.9
179.05524	0.7
179.07036	0.5
179.10687	0.9
183.10233	0.5
185.08183	2.1
187.11223	2.0
189.12833	10.1
190.99741	0.6
191.10741	0.6
195.13852	0.6
205.12334	1.4
207.13878	4.2
208.00029	0.8
208.14207	0.6
209.11685	0.7
231.13937	0.7
233.11812	1.8
243.02939	0.5
245.04723	0.5
245.12901	1.0
249.11214	1.1
251.12907	8.3
252.13268	1.1
267.12378	0.8
269.04614	1.1
269.14023	10.9
270.14212	0.9
273.04144	0.9
285.04163	0.6
299.02014	1.5
299.05267	0.6
317.03046	3.2
317.06512	1.2
330.35254	0.5
331.24677	0.6
405.22836	0.8
423.24197	1.2
433.24429	3.1
456.28607	0.5
475.27176	1.4
493.28198	100.0
494.28583	18.8
511.85806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.8
57.03338	5.8
59.01266	14.8
60.01597	0.6
60.99186	0.9
61.98709	1.3
64.26407	0.5
69.03342	1.3
70.49426	0.5
71.01265	5.7
71.04916	1.1
71.58630	0.5
71.59078	0.8
72.99194	1.2
73.02834	1.8
74.98994	0.5
75.00755	3.9
75.59701	0.4
79.05424	6.5
81.03296	0.6
82.86068	0.5
83.01282	0.8
83.04466	0.8
83.04917	10.4
85.02839	2.8
87.00786	1.2
89.02339	2.5
93.03361	0.8
93.06989	1.1
95.01274	1.0
95.04900	2.8
96.95910	1.7
97.02892	0.6
97.06490	11.9
98.06847	0.5
99.00779	1.1
101.02350	5.7
107.04912	1.6
109.02869	1.4
109.06493	9.2
111.08064	0.5
113.02391	2.9
115.03902	2.6
118.98020	2.3
119.03411	0.8
120.99572	2.3
121.06496	1.4
123.08067	5.7
125.02361	1.0
125.06030	4.3
125.09634	1.4
127.07524	0.9
129.06963	0.5
133.10193	0.7
135.04466	0.7
135.08067	1.4
137.02348	0.6
137.09660	5.2
139.00269	0.9
141.05484	1.3
145.10168	1.0
147.08104	0.9
149.02434	0.6
149.09642	1.7
151.00261	1.1
151.07594	0.5
151.11154	0.6
153.01804	1.0
153.05489	0.7
161.04529	1.4
163.00310	1.8
163.11235	2.2
165.09087	0.6
167.10777	0.7
171.06578	11.2
171.11703	1.4
172.07001	0.5
173.09665	0.9
175.11209	0.7
177.12805	0.9
178.99782	0.9
179.05524	0.7
179.07036	0.5
179.10687	0.9
183.10233	0.5
185.08183	2.1
187.11223	2.0
189.12833	10.1
190.99741	0.6
191.10741	0.6
195.13852	0.6
205.12334	1.4
207.13878	4.2
208.00029	0.8
208.14207	0.6
209.11685	0.7
231.13937	0.7
233.11812	1.8
243.02939	0.5
245.04723	0.5
245.12901	1.0
249.11214	1.1
251.12907	8.3
252.13268	1.1
267.12378	0.8
269.04614	1.1
269.14023	10.9
270.14212	0.9
273.04144	0.9
285.04163	0.6
299.02014	1.5
299.05267	0.6
317.03046	3.2
317.06512	1.2
330.35254	0.5
331.24677	0.6
405.22836	0.8
423.24197	1.2
433.24429	3.1
456.28607	0.5
475.27176	1.4
493.28198	100.0
494.28583	18.8
511.85806	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93404	1.0
55.01764	1.9
57.03321	2.3
58.00486	2.0
59.01264	100.0
61.98719	6.7
69.40987	8.8
69.41393	2.5
71.01270	55.5
71.20056	1.1
72.99194	5.3
73.02820	8.0
75.00757	10.2
79.05430	1.3
83.01280	4.7
83.04893	2.7
85.02842	13.8
87.00753	6.0
87.04401	2.8
89.02335	62.2
95.01272	6.0
97.06480	2.4
99.00790	2.6
101.02343	37.3
109.02895	1.2
109.06503	1.9
111.04386	1.1
113.02355	23.4
116.92776	1.7
118.98006	3.3
119.03418	30.9
119.42576	1.1
120.99548	3.2
123.08057	1.2
125.02353	2.1
131.03426	3.2
143.03448	8.7
149.04495	2.5
159.02957	1.9
161.04482	13.8
165.04077	1.2
169.14473	1.1
171.06566	1.5
179.05565	36.0
203.35066	1.0
227.07076	2.8
270.64716	1.1
271.19189	2.8
322.60510	1.0
331.25122	2.0
373.15424	2.9
383.31299	1.2
433.24545	48.3
434.24698	6.2
454.75787	1.2
475.28760	1.5
487.52197	1.3
493.20154	1.6
493.28400	31.0
494.28546	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	493.1165
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
59.01264	9.9
61.98713	2.1
65.00219	1.9
71.56502	0.8
71.56870	0.8
72.99179	1.3
73.02849	0.9
75.00762	14.2
75.56919	0.8
76.01115	1.3
76.31580	0.8
77.01159	1.2
83.01279	1.5
85.02855	1.2
87.00765	0.8
90.67862	0.7
97.06476	1.1
99.00777	4.5
100.01078	0.9
107.01276	4.0
113.02355	1.9
117.01815	0.8
125.02322	1.1
132.02110	1.0
133.02869	13.7
134.03238	1.1
135.04472	3.7
136.04774	1.4
145.02946	0.8
147.04483	1.5
148.05266	7.0
149.02382	3.4
149.05527	4.0
150.05846	1.1
151.00307	7.0
159.04404	0.9
161.02191	1.1
171.10251	1.0
173.06017	1.0
174.03206	1.0
175.03970	3.8
180.86563	0.8
183.04387	0.8
185.06117	1.0
187.03880	1.4
187.07541	1.9
189.05606	1.5
191.03517	2.5
192.04028	2.2
193.04468	1.0
199.04071	3.7
201.05371	1.2
201.09096	1.3
202.06155	0.7
202.09659	0.9
209.11890	5.5
212.04559	0.8
215.07042	1.1
216.07387	1.1
217.05008	1.6
221.54436	0.7
227.03445	2.4
229.05040	1.1
232.07315	1.2
233.08083	3.4
234.08324	2.5
235.08755	1.9
241.05142	0.9
243.03018	1.2
244.07056	1.2
255.03053	23.4
256.03784	25.8
257.04169	3.1
274.08728	0.8
283.02542	46.0
283.99960	1.7
284.03308	74.4
285.04077	100.0
286.04507	7.9
345.32306	1.0
371.15115	1.8
372.14871	0.9
373.15689	3.5
449.17450	1.5
463.10446	1.3
475.10416	2.4
493.11478	15.7
493.27875	4.6
494.11786	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	493.0633
Annotation	Gossypetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03332	2.0
59.01264	16.7
59.67577	0.5
60.01598	1.4
61.01674	0.9
63.02272	1.5
65.00202	4.7
67.01768	1.3
68.99698	0.8
69.03329	0.6
71.01267	5.2
71.55433	1.0
72.99190	1.6
73.02869	0.5
75.00763	2.1
75.44651	0.4
79.01775	0.5
81.03342	0.6
83.01279	5.2
85.02842	6.0
87.00768	1.6
89.02360	1.4
91.01802	1.0
93.03355	1.2
95.01288	4.5
96.99202	0.6
97.02847	0.6
98.21481	0.5
99.00775	2.2
101.02351	1.2
103.00295	1.0
107.01291	6.3
108.02093	0.6
109.02859	13.1
111.00794	14.5
113.01620	0.9
113.02354	10.5
114.02721	0.6
115.00269	0.6
117.01821	0.6
119.01294	0.9
119.04907	0.5
121.02859	1.7
123.00784	2.0
124.01525	0.8
125.02367	13.4
131.04922	1.2
133.02864	8.0
135.00816	4.4
135.04427	1.4
136.98729	1.8
137.02356	5.0
139.00299	31.9
140.00734	1.0
141.01837	0.7
143.04977	1.4
145.02834	0.5
145.06491	0.6
145.08881	0.5
145.82648	0.4
147.00830	0.6
147.04446	0.7
149.02379	4.1
151.00305	22.2
151.03929	2.3
152.01093	2.6
153.01875	13.8
155.04968	0.5
157.02905	0.5
157.06447	0.6
159.04440	2.0
161.02382	2.3
161.05984	0.6
163.00316	25.3
163.03874	1.2
164.00932	2.0
164.98253	1.0
165.01888	5.8
166.99792	1.5
169.01361	1.8
171.04463	1.5
173.02400	0.9
173.06023	1.3
174.02979	0.6
175.02426	3.3
175.03949	2.8
177.01892	9.4
177.05440	0.5
178.98259	0.7
178.99818	16.2
181.01387	23.2
182.02106	2.5
183.04466	1.9
185.02397	0.6
185.06129	0.8
187.03909	2.8
189.01920	1.0
189.05508	0.6
190.02711	0.7
190.99832	8.9
191.03415	2.0
192.00343	0.8
193.01408	6.0
193.03239	0.8
199.03937	4.2
201.01953	3.0
201.05463	1.4
202.02614	0.5
203.03493	4.3
205.01338	1.0
205.05049	1.1
206.99330	7.8
207.02721	0.5
208.00099	3.6
209.00748	1.6
211.03978	1.9
214.02657	0.5
215.03456	1.4
217.01424	1.3
217.05020	3.7
219.02966	3.3
223.02505	0.6
227.03488	6.4
228.04132	0.5
229.01498	1.4
229.05023	3.3
230.02171	1.9
231.02995	7.1
232.03397	0.8
242.02101	0.8
243.02992	8.2
244.03496	0.9
245.00761	0.6
245.04568	13.6
245.07100	0.7
246.04913	0.9
249.04074	0.6
255.03012	7.0
256.03458	1.1
258.01746	1.2
261.03952	1.0
271.02536	15.8
272.02994	1.0
273.04108	14.9
274.04480	1.8
284.03333	1.5
285.04062	5.6
289.03601	5.8
299.02017	27.6
300.02643	4.9
301.03409	0.7
317.03082	100.0
318.03433	10.6
357.04724	1.9
358.05630	1.4
359.04172	0.8
390.22000	0.9
432.23654	0.6
433.24216	0.7
435.30414	0.5
449.07419	0.8
475.05328	1.8
476.06058	1.6
493.06323	16.0
494.06982	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	492.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	13.4
59.99267	0.5
60.99204	0.6
60.99516	0.5
61.98721	0.7
64.33971	0.5
66.48077	0.4
68.01282	0.5
69.64079	0.9
69.64488	2.5
71.01273	4.6
72.99209	1.2
75.00807	0.6
85.02831	1.4
86.02372	0.9
87.00779	1.3
88.00289	1.4
88.98689	1.4
89.02337	8.7
91.17968	0.5
95.25985	0.4
96.95932	0.8
101.02341	2.2
108.02071	1.5
113.02367	1.2
119.03413	0.8
123.03180	8.9
125.02360	2.0
131.03426	2.2
138.01913	17.0
138.05534	100.0
139.05858	4.3
143.03468	0.6
149.04501	3.6
180.06601	1.6
191.05611	1.0
293.08826	6.7
293.46069	0.5
432.15201	49.9
433.15549	5.4
444.11853	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03345	0.4
59.01265	100.0
60.01595	1.6
69.03345	0.9
71.01274	4.4
71.04931	0.6
72.99200	1.7
73.02850	1.5
75.00768	2.2
76.03310	0.3
81.02007	0.4
83.01292	0.8
85.02842	2.1
87.00800	0.6
88.14955	0.3
89.02335	2.0
94.36156	0.3
95.01282	0.8
99.00775	0.4
101.02335	2.7
107.01305	0.5
111.00804	0.4
113.02351	2.1
119.03435	0.7
125.02388	0.4
125.86450	0.3
129.01822	0.5
133.02864	0.5
139.00293	0.7
143.03439	0.5
143.55037	0.3
149.02397	0.4
151.00340	1.1
159.04485	0.3
161.02426	0.4
161.04572	1.2
162.50659	0.4
163.00380	0.4
171.40923	0.3
173.01164	0.3
177.01956	0.5
178.99844	1.2
182.11909	0.4
187.04109	0.4
195.13942	0.4
201.01996	0.5
215.03558	0.6
217.01581	0.5
229.63113	0.3
231.03145	0.4
239.12955	1.8
243.03145	1.0
257.13992	2.6
259.02563	1.6
267.22891	0.3
269.00958	0.4
271.02612	1.1
272.03333	0.5
285.04028	2.4
286.04214	0.4
287.02039	2.9
297.03903	0.3
299.15057	1.7
301.14771	0.5
315.01529	5.6
315.04828	0.6
316.01962	2.3
317.03082	0.6
329.10516	0.3
329.13849	1.5
343.13742	0.3
361.15323	0.9
363.10629	0.3
371.20865	2.9
389.21909	7.0
389.26785	0.5
390.22418	1.2
403.16882	1.1
431.22952	5.8
432.23486	1.1
491.04758	1.5
492.05612	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15119	0.3
55.01771	0.4
57.03340	2.0
58.00488	0.4
59.01265	100.0
60.01616	0.9
61.98717	1.5
63.09553	0.3
63.91536	0.3
69.03348	1.2
71.01270	20.0
72.97454	0.5
72.99207	2.3
73.02840	6.9
74.96592	0.3
75.00764	29.5
79.05426	0.6
80.88745	0.4
81.03349	0.6
83.01281	2.5
83.04910	1.0
85.02845	7.0
87.00771	4.8
87.04419	1.3
89.02336	5.6
95.01294	0.8
95.04944	0.7
96.95920	0.4
97.02856	0.8
97.06512	1.3
98.19717	0.6
99.00781	2.1
99.04433	0.4
101.02349	12.7
101.99503	0.6
107.05011	0.3
109.02896	0.6
109.06495	0.6
111.00822	0.5
111.04435	0.6
111.08025	0.5
113.02353	7.8
115.00252	0.4
115.03886	0.4
116.92792	0.7
117.01851	2.0
118.98045	1.0
119.03425	2.2
121.02876	0.6
123.08098	1.2
125.02368	1.4
129.01865	0.4
131.03438	0.7
135.04439	0.6
135.08031	0.7
137.06071	0.4
137.09669	0.8
139.07651	0.5
143.03470	1.4
149.02429	1.0
149.04488	0.3
153.09186	0.5
159.02960	1.3
161.04503	9.1
161.05873	0.7
161.09587	0.5
163.11247	0.5
164.03496	1.7
165.12814	3.6
167.10718	0.8
173.06038	0.8
174.03268	0.4
175.04005	1.0
175.07634	1.1
179.05615	1.3
179.10825	0.5
186.06955	0.7
187.04015	0.8
187.07648	0.8
189.05577	0.5
190.02899	0.4
191.03522	0.6
199.07558	0.7
200.04688	0.5
201.09061	0.6
203.05565	5.2
203.07201	0.8
203.10696	0.5
204.07785	0.5
205.12309	0.6
209.15387	1.8
211.07692	1.0
215.07155	1.2
216.07927	0.4
223.13547	0.4
225.09222	2.0
226.09892	0.8
227.07199	0.5
227.10776	0.9
227.16464	2.9
229.08708	0.9
229.72841	0.5
231.06665	0.5
232.07388	2.8
233.08167	1.3
237.05571	0.4
239.07190	1.6
239.10864	0.9
241.08824	0.8
241.12361	0.5
242.09514	0.5
243.06688	0.9
243.10461	0.4
243.14024	0.4
244.07423	0.5
247.09755	0.6
248.10640	0.8
253.08714	1.9
254.09543	1.6
255.10266	1.3
255.13986	1.7
257.08221	0.7
257.11819	0.7
267.11163	0.8
269.08359	0.8
269.11829	1.0
271.13712	0.9
271.16760	0.5
273.14999	0.4
282.09280	0.4
283.13455	5.5
284.10696	0.9
285.04123	0.9
285.14990	0.4
286.04480	0.5
287.09625	0.4
288.10156	0.6
296.10425	0.4
298.12207	0.6
299.13297	0.5
299.16577	0.5
301.14584	1.4
306.11176	1.3
309.15170	1.1
311.12943	9.4
312.13412	1.5
313.14514	3.9
314.14810	0.5
325.14749	0.6
327.12503	2.3
327.16159	3.4
328.16470	0.6
329.14114	4.0
329.23370	0.7
341.14117	1.4
345.17099	0.8
353.14017	7.7
354.14481	1.1
371.15244	7.4
371.20923	15.5
372.15555	0.6
372.21213	1.5
385.12436	2.6
385.16934	1.5
386.13489	0.5
389.16327	1.9
389.21805	13.4
390.22372	1.4
403.17908	0.5
429.15723	4.3
430.16266	0.6
430.74680	0.4
431.22858	27.7
432.23166	4.0
447.16544	2.1
448.17142	0.7
473.25674	0.5
488.70859	0.4
491.16544	0.5
491.26849	12.7
492.16907	0.4
492.27335	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73106	0.7
56.99373	0.7
58.00499	1.0
59.01266	100.0
60.01617	1.2
61.98725	0.7
71.01274	15.8
71.56011	0.9
72.99201	2.2
73.02848	1.3
75.00763	2.6
85.02852	2.7
87.00757	4.3
88.00324	1.7
88.98702	0.8
89.02338	27.5
95.01274	1.1
96.95936	2.3
101.02352	12.0
113.02364	8.0
119.03417	12.9
125.02342	0.8
131.03436	2.5
138.01929	1.9
138.05574	3.9
143.03459	3.9
149.04579	2.0
161.04520	4.0
175.02481	1.9
179.05574	23.8
180.05960	0.9
235.88896	0.7
240.78162	0.7
393.96622	0.7
431.15750	0.8
431.23236	3.5
432.15253	1.4
432.23425	0.9
491.13300	2.3
491.21185	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	491.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34334	0.7
57.03352	0.8
59.01266	100.0
60.01604	0.8
61.98719	1.1
69.03345	6.9
69.55502	4.2
69.55911	1.3
71.01260	5.0
71.04911	9.9
71.72256	0.7
72.99197	10.6
73.02841	1.8
75.00762	15.7
76.03531	0.6
77.39045	0.6
85.02838	1.8
87.00797	1.0
87.04428	1.7
89.02348	2.3
94.97996	0.8
96.39386	0.7
96.95923	2.7
97.06488	0.7
98.02435	0.7
101.02362	2.7
103.00293	2.6
103.03954	0.7
105.01835	0.8
108.07813	0.8
109.31901	0.7
113.02374	2.2
115.00365	0.7
118.98005	0.9
118.99767	0.9
119.03461	1.2
122.06020	0.9
122.71600	0.7
123.08039	0.8
125.09675	1.5
130.88959	0.7
159.79135	0.8
161.04552	1.2
163.57509	0.7
179.05563	0.9
183.10222	0.9
183.13902	0.9
195.13857	4.0
197.41951	0.7
211.13429	1.1
239.12933	19.5
239.15205	1.2
240.13261	1.4
243.12515	2.1
257.13971	26.0
257.16495	1.4
257.34146	0.8
258.14450	1.9
271.13483	1.1
284.03522	2.2
285.04163	3.7
285.13794	1.0
299.15079	19.9
300.15454	1.8
329.14136	1.3
341.14258	1.4
343.14209	3.1
357.14731	1.3
361.15134	8.9
403.16159	12.9
447.09561	1.4
491.08783	2.6
492.32059	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	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84064	0.3
57.03335	1.1
59.01265	100.0
60.01597	1.5
61.98716	1.1
68.97808	0.3
69.03345	1.1
70.34697	0.3
70.85460	0.6
70.85836	0.6
71.01271	10.7
71.04898	0.7
72.99207	0.7
73.02839	10.9
75.00769	2.7
78.95776	0.3
81.03349	0.4
83.01272	4.1
85.02847	2.1
87.00786	1.1
89.02339	4.7
95.01299	0.4
96.95914	2.3
97.02858	0.5
97.06513	0.4
98.95489	0.3
99.00783	0.6
99.04427	0.5
101.02345	15.1
102.02689	0.6
108.21800	0.3
113.02353	3.9
115.00317	0.7
117.01885	0.5
119.03427	2.9
125.02386	0.6
131.03439	1.3
135.08092	0.4
143.03441	1.3
149.04475	2.0
151.00397	0.4
159.02971	0.5
161.04495	4.1
163.06088	0.4
175.02470	1.1
179.05615	0.8
179.14420	1.0
189.12921	0.3
202.01543	0.3
203.05614	0.8
205.12340	0.5
207.13899	0.5
209.11867	0.4
211.12404	0.4
221.06613	0.8
221.11890	0.5
223.13435	3.9
224.13766	0.3
225.15065	0.7
247.13396	1.5
267.12494	1.5
285.04126	2.0
285.13651	1.0
287.46713	0.3
309.13373	0.5
313.03729	0.6
325.13510	0.4
326.13272	0.5
327.10281	0.5
327.14459	5.5
328.14856	0.6
343.13098	0.4
369.19366	0.8
387.20496	0.9
429.21930	2.1
489.10483	0.6
489.20303	2.1
489.29028	1.1
490.10336	1.0
490.30441	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	0.2
59.01267	100.0
60.01605	1.1
67.80128	0.2
69.51344	0.5
69.51764	1.4
71.01264	4.5
73.02837	1.8
75.00797	0.4
83.01306	0.9
83.71972	0.2
85.02850	1.7
89.02367	1.0
92.94618	0.2
95.01342	0.3
96.61031	0.2
96.95900	0.4
97.02847	0.3
99.00800	0.6
101.02337	3.3
110.57280	0.2
113.02370	1.9
119.57926	0.2
121.59573	0.2
125.02393	0.6
133.02962	0.3
161.04507	2.0
261.14569	0.2
280.87915	0.2
283.11926	3.6
284.12411	0.3
285.04102	3.2
286.04578	0.3
313.03671	0.7
387.20517	0.9
421.45764	0.2
429.17590	7.0
430.18329	1.0
489.23755	0.5
497.59891	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38914	0.3
57.03335	0.6
59.01262	100.0
60.01593	1.2
61.98718	0.6
63.02291	0.6
65.00218	0.6
69.03341	1.0
70.77058	0.9
71.01260	4.1
71.04907	0.5
72.99203	0.8
73.02838	2.5
74.02341	0.3
75.00752	3.0
82.57932	0.3
83.01283	1.2
83.04929	0.3
85.02842	1.3
87.00770	0.3
87.04459	0.3
89.02344	2.2
95.01271	0.4
96.95915	0.8
97.02863	0.4
99.00787	0.7
101.02332	2.5
107.01308	1.6
109.02848	0.8
109.06480	0.3
109.47736	0.3
113.02325	2.2
117.01812	0.4
119.03399	0.9
125.02378	0.3
129.01881	0.6
133.02843	2.2
134.03651	0.5
135.04501	0.4
136.07608	2.0
137.07962	0.8
141.01874	0.6
143.03392	0.4
149.02394	0.6
149.99556	0.3
151.00275	2.1
152.01088	0.5
159.03032	0.5
161.04546	1.4
163.27989	0.3
169.01381	0.3
169.97925	0.3
175.03957	1.1
179.05580	0.5
179.10817	0.5
180.06631	1.2
181.06963	1.0
187.04066	0.5
199.03929	0.6
201.02251	0.3
201.04074	1.0
209.11845	0.6
211.03967	0.8
213.05579	0.3
217.05066	0.5
223.13425	2.6
223.48592	0.3
225.14902	0.7
226.18562	0.3
227.03471	0.7
227.06801	0.5
228.04085	0.3
247.13281	0.3
251.06905	0.3
255.03059	0.9
256.03857	2.2
261.05609	0.7
267.12497	1.0
267.16071	0.9
283.02499	0.4
284.00034	0.8
284.03308	37.6
285.04056	53.1
286.04486	4.4
297.04099	0.4
327.05276	0.6
327.14529	3.4
328.14764	0.4
369.19302	0.5
383.14603	0.3
387.20334	1.0
429.16650	0.3
429.21661	0.7
443.19214	0.7
489.10480	44.7
489.24664	2.0
490.10818	7.6
490.30322	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29549	0.7
51.54509	0.7
55.01772	3.3
57.03351	3.4
58.00481	1.2
58.47755	0.7
59.01266	93.3
60.01584	1.4
64.79269	0.6
69.03339	1.9
69.43603	5.3
69.44025	1.6
71.01271	50.1
72.01609	0.9
72.99201	2.8
73.02835	20.6
75.00776	2.4
81.03342	1.0
83.01279	16.3
85.02845	24.6
85.99983	0.9
87.00767	3.0
89.02335	7.8
93.27984	0.7
95.01302	3.8
96.95900	1.3
97.02862	1.6
98.20518	1.6
99.00789	7.3
101.02347	43.2
102.02697	1.2
103.03938	2.9
103.28482	0.7
113.02357	19.2
118.92195	0.7
119.03445	2.5
125.02356	4.0
129.01884	1.4
133.02885	2.3
143.03426	2.7
145.04909	0.7
151.00285	1.4
159.02945	3.1
161.04500	20.1
161.05853	1.1
163.06047	3.7
172.91325	0.8
175.03986	0.7
176.03462	0.9
179.05551	0.9
185.24768	0.8
189.34506	0.9
191.79393	0.9
221.11890	1.0
222.12152	0.8
223.13313	1.3
225.15091	0.8
229.07169	0.9
247.08377	1.7
253.56676	0.7
283.11935	57.2
284.03360	1.3
284.12189	4.2
285.04123	20.5
286.04428	2.9
311.02164	1.1
327.13763	2.4
328.04535	1.5
369.19492	1.0
387.20163	1.4
429.17722	100.0
430.18076	12.9
447.09882	1.0
489.10516	4.5
489.18872	1.9
490.10309	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	489.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	1.3
58.00479	1.6
59.01263	100.0
60.01594	0.9
62.39167	0.5
65.82203	0.5
69.03347	0.9
71.01266	23.4
71.16392	0.5
71.16721	0.7
72.01611	0.6
72.99202	3.3
73.02834	23.6
75.00777	1.7
83.01286	2.1
83.04928	0.6
85.02843	10.1
86.00016	0.8
86.94368	0.5
87.00764	6.9
87.04439	2.3
89.02335	23.4
95.01257	0.6
96.14993	0.5
96.95919	2.1
99.00787	0.9
99.04412	0.8
101.02344	48.8
102.01875	0.6
102.02678	1.1
103.03909	20.5
107.01292	1.4
107.19860	0.4
111.13953	0.5
113.02343	3.7
115.03919	5.4
115.04758	0.5
119.03414	11.2
125.02356	2.6
127.03925	2.2
131.03430	7.8
133.02887	3.5
143.03438	10.7
145.05003	6.7
151.00290	2.3
161.04483	1.4
163.06067	93.2
164.06375	3.4
165.73291	0.5
175.03897	0.8
177.52841	0.5
179.05611	1.6
199.03967	0.8
201.01843	0.6
205.07167	22.1
206.07492	1.4
217.04993	0.6
235.08141	1.0
256.03873	0.8
265.09311	8.3
283.11960	1.7
284.03394	1.4
285.04105	42.4
286.04453	3.1
298.36072	0.6
325.11517	1.5
369.19131	2.4
387.20190	1.6
429.08633	1.1
429.17477	14.6
430.18011	1.8
458.02484	0.6
489.10602	7.3
490.10794	1.3
490.30368	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15682	0.4
57.03331	0.7
58.00468	0.4
58.02856	0.3
59.01265	35.8
60.24352	0.3
61.98728	0.7
67.01790	0.4
70.70163	1.0
71.01270	16.2
72.99204	2.1
73.02830	1.7
73.77348	0.4
75.00776	1.3
78.95804	0.7
79.33571	0.3
80.96405	0.6
83.01267	3.9
85.02850	2.3
85.46886	0.3
87.00770	24.7
88.01116	0.4
89.02357	1.0
91.86500	0.4
96.95935	0.5
99.00786	1.0
101.02364	1.9
102.01873	0.6
103.00278	0.4
111.00788	6.1
112.98701	0.4
113.02360	2.1
115.00286	51.7
116.00633	0.8
122.06062	0.5
127.00267	1.6
139.00301	12.8
140.00722	0.4
142.26999	0.3
146.06042	1.0
148.07625	0.4
150.05621	0.4
157.01372	25.5
158.01663	0.8
158.06082	0.4
158.11325	0.3
161.04579	0.5
171.10229	1.1
172.04057	0.4
174.05563	0.7
175.02437	100.0
176.02763	3.4
189.61745	0.4
191.05833	0.7
207.05368	0.8
226.12357	3.0
227.12169	0.4
240.09059	0.5
241.07536	1.0
253.09850	0.5
254.10548	0.5
255.11362	0.5
269.13016	9.9
270.13309	1.4
283.14685	0.8
297.12534	0.9
299.14209	1.1
309.12363	0.4
313.12000	11.0
314.12405	1.4
327.13199	1.4
341.11267	0.9
343.13089	3.1
344.13300	0.5
355.16858	0.4
359.17114	0.5
365.15295	0.6
371.12558	8.2
372.12839	1.1
373.13983	1.5
385.14011	1.1
391.13013	0.9
399.15576	0.9
409.14130	8.2
410.14322	1.4
427.15189	13.0
428.15399	1.9
429.13086	4.5
430.13184	0.5
441.13181	0.7
445.15781	0.4
453.13098	1.5
471.14862	1.8
472.14267	0.3
489.15894	4.7
490.15714	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.105
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.14801	0.2
57.03308	0.2
58.00483	0.2
59.01264	10.8
60.01586	0.3
61.98730	0.4
63.02291	0.3
65.00207	0.8
70.58228	0.3
70.58560	0.2
71.01263	1.8
72.99174	0.4
73.02837	1.1
75.00751	1.6
83.01253	0.9
85.02837	0.7
89.02346	0.7
95.01226	0.2
96.95906	0.5
97.02879	0.2
98.19916	0.2
99.00788	0.2
101.02352	1.2
107.01318	1.5
109.02865	0.2
113.02344	0.7
113.05963	0.2
115.91992	0.4
118.98061	0.2
119.03387	0.2
121.02875	0.2
132.02098	0.3
133.02870	7.2
134.03238	0.4
149.02370	1.9
150.99144	0.3
151.00302	5.4
163.03929	0.3
171.04462	0.2
173.05934	0.2
175.02528	0.3
175.03955	2.5
176.04390	0.2
179.05602	0.2
185.06017	0.3
189.05452	0.2
197.06064	0.3
198.03191	0.5
199.03963	2.4
200.04332	0.3
201.01920	0.8
206.12848	0.2
213.05551	0.7
215.03476	0.6
217.05040	1.6
219.23273	0.2
226.02690	0.2
227.03369	0.3
229.05083	0.3
240.04233	0.2
241.05016	0.8
243.02986	0.8
255.03102	1.4
256.03802	5.0
257.04407	1.1
267.03104	0.2
269.04587	0.4
270.53995	0.2
279.81165	0.2
281.04501	0.7
283.02484	0.8
284.03323	9.9
285.04086	100.0
286.04437	8.7
288.18793	0.2
297.04147	0.2
299.05655	0.2
327.05203	0.6
359.20581	0.2
373.13898	0.2
403.19858	0.3
429.08328	13.8
430.08630	1.7
445.20657	2.9
446.21271	0.3
447.09366	1.7
489.10474	28.9
490.10803	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	489.1048
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
57.31166	0.0
59.01263	1.6
62.49688	0.0
63.02273	0.1
65.00202	1.0
67.28613	0.1
69.33788	0.4
69.34201	0.1
70.19989	0.1
71.01263	0.2
73.02827	0.1
75.00759	0.1
83.01264	0.5
89.02312	0.1
93.03391	0.1
98.20607	0.1
101.02363	0.1
105.03364	0.2
107.01292	1.9
121.02826	0.3
125.02325	0.1
132.02136	0.1
133.02869	8.4
134.03186	0.4
143.04999	0.1
149.02371	1.7
150.02751	0.1
151.00301	5.4
152.00612	0.2
153.06894	0.1
155.04959	0.1
157.06471	0.1
163.03838	0.1
169.01297	0.1
169.06613	0.1
171.04478	0.3
173.02336	0.1
173.05965	0.1
174.03232	0.1
175.03951	3.2
176.04280	0.2
177.01859	0.1
185.06036	0.2
187.03958	0.2
189.05447	0.1
195.04491	0.1
197.06058	0.3
198.03169	0.4
199.03972	2.4
200.04291	0.2
201.01938	0.9
202.02228	0.1
211.03964	0.2
212.04723	0.2
213.05487	0.7
214.02679	0.1
214.05952	0.1
215.03566	0.5
216.03716	0.1
217.05035	1.6
218.05388	0.1
223.04018	0.3
226.02698	0.1
227.03464	0.1
229.05005	0.3
239.03484	0.2
240.04250	0.2
241.05040	1.1
242.02158	0.2
242.05501	0.1
243.03000	0.7
244.03294	0.1
255.03043	0.2
256.03806	1.7
257.04535	0.6
267.02997	0.3
268.03845	0.1
269.04517	0.1
281.04626	0.3
284.03342	2.6
285.04089	100.0
286.04428	9.3
323.05756	0.1
327.04837	0.1
327.17786	0.1
429.08258	0.6
430.08838	0.1
447.09247	0.2
489.10464	16.9
490.10828	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	489.1061
Annotation	Luteolin 7-(6''-acetylglucoside)
Peak:m/z	Relative Intensity
53.84149	0.1
57.03347	0.4
58.00489	0.1
59.01265	21.1
60.01608	0.3
61.01687	0.2
62.00314	0.1
63.02273	1.0
65.00198	1.0
69.03345	0.6
69.56462	0.3
69.56869	0.9
71.04906	0.3
72.99187	0.3
73.02844	0.4
73.92641	0.1
75.00764	1.3
79.38988	0.1
83.01273	1.3
83.04932	0.3
84.76223	0.1
85.02856	0.5
89.02366	0.8
95.01294	0.2
96.95906	0.2
97.02843	0.3
98.20528	0.3
99.00823	0.2
101.02345	0.9
103.03934	0.2
105.03365	0.3
105.26398	0.1
107.01299	2.9
107.08589	0.4
109.02867	0.5
109.06505	0.2
113.02354	0.5
117.01858	0.2
119.03445	0.4
121.02927	0.3
121.06535	0.2
121.73843	0.1
125.02381	0.4
127.31285	0.2
132.02121	0.4
133.02873	3.9
133.03830	0.3
134.03671	1.4
135.08040	0.2
136.07610	0.4
148.01608	0.4
149.02406	1.3
149.99579	0.4
151.00305	5.2
151.07527	0.1
152.00705	0.4
159.04474	0.2
161.02405	0.3
161.04599	0.2
163.00282	0.2
163.05983	0.2
169.01392	0.3
171.04367	0.3
172.05249	0.2
173.06104	0.2
174.03246	0.3
175.03952	1.5
176.01227	0.2
177.01889	0.3
179.05582	0.3
179.14391	0.5
180.06589	0.3
183.04524	0.6
185.06053	0.4
186.03238	0.2
187.03938	0.3
188.04797	0.3
195.04512	0.4
197.06088	0.3
198.03259	0.3
199.03999	1.9
200.04787	0.7
201.01950	0.7
201.03767	0.2
203.10672	0.2
211.03983	1.3
212.04755	0.5
213.01895	0.2
213.05547	0.4
214.02794	0.2
215.03516	0.3
216.04379	0.2
217.05045	1.1
221.11853	0.5
222.12170	0.6
223.13452	2.7
227.03517	2.0
228.04156	0.5
232.28220	0.2
239.03452	0.7
240.04254	0.3
241.05013	0.8
242.02151	0.2
243.03050	0.4
247.13412	0.5
255.03003	1.6
256.03799	5.2
257.04318	0.7
261.05505	0.3
265.11227	0.1
266.11169	0.2
267.02945	0.3
267.12491	0.7
267.15979	0.1
268.03802	0.2
269.04553	0.4
281.04312	0.2
283.02576	1.0
284.03326	73.4
285.04077	91.7
286.04456	7.6
291.12399	0.2
297.04111	0.5
299.05576	0.1
307.10431	0.3
309.13675	0.3
325.12939	0.4
326.13315	0.6
327.05307	1.1
327.14529	4.2
328.14838	0.5
429.08438	0.2
429.21298	0.2
447.09216	0.5
488.18420	0.2
488.28986	0.3
489.10489	100.0
490.10846	14.9
490.16623	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.3
56.82015	1.6
58.02862	21.2
59.01265	75.3
61.42198	1.2
61.98702	5.5
66.29307	1.2
69.54076	6.6
69.54501	4.7
71.00901	2.9
71.01268	36.5
72.99195	3.9
73.02836	6.7
75.00763	13.8
78.20411	1.2
78.95785	5.7
80.96410	2.8
83.02399	3.2
83.04884	1.3
83.09917	1.2
84.00803	1.3
84.01940	4.0
85.02844	8.0
87.00769	5.9
87.87912	1.2
89.02338	27.6
94.02866	1.7
95.01279	2.5
96.95913	41.7
96.96819	7.9
97.02862	1.8
98.02377	100.0
98.19823	2.0
98.20471	3.9
98.95502	6.2
99.00774	8.5
99.01912	6.2
99.02654	1.9
99.04427	1.5
101.02341	30.2
101.45717	1.3
102.01869	36.9
103.00262	4.1
103.03909	2.2
110.02393	11.0
111.00813	1.8
113.02342	15.4
115.92022	1.5
119.03415	11.2
121.02865	37.6
122.02401	2.3
125.02344	1.6
131.03368	1.7
135.70370	1.5
143.03436	2.8
159.02888	3.9
161.04482	11.5
163.06041	2.0
175.02443	3.1
179.05591	5.5
242.22327	1.6
326.13300	2.3
382.84540	1.5
384.20163	1.7
387.20224	9.4
388.20834	1.4
428.22958	22.8
429.14130	2.4
429.23166	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	487.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03798	0.3
57.03338	2.4
58.00487	1.1
59.01263	100.0
60.01602	1.1
69.03355	1.9
71.01270	13.9
71.04911	3.9
71.59017	0.7
72.99198	6.1
73.02831	2.4
75.00759	14.5
79.05428	0.5
81.06982	0.4
83.01278	1.1
83.04913	15.7
84.05281	0.7
85.02836	3.0
86.50809	0.4
87.00777	1.5
87.04426	1.5
89.02332	10.7
93.03321	0.4
95.01292	1.1
95.04945	1.4
96.95920	0.7
97.02890	0.6
97.06479	0.8
99.00793	0.7
99.04416	2.8
101.02342	7.5
105.07029	1.3
107.01385	0.4
107.04932	2.8
107.08572	13.5
107.09296	0.7
108.08906	0.6
109.02840	0.4
109.06498	5.0
111.00822	0.4
111.04427	0.7
113.02354	7.2
117.01862	3.3
119.03409	4.3
120.05714	0.5
121.06440	0.6
123.04428	1.1
123.08085	0.4
125.02333	0.4
125.06013	1.0
131.03458	0.5
131.08563	0.8
133.05513	0.5
133.06508	7.6
133.10149	1.0
134.06940	0.4
135.04427	0.5
135.07999	0.4
137.09697	0.4
143.03410	0.7
147.08115	0.8
149.04561	0.5
149.05927	0.5
149.09686	1.1
151.07588	9.1
152.04750	0.4
157.10214	0.6
159.08127	1.7
159.11761	1.5
161.04520	1.2
161.09677	2.9
162.10107	0.4
163.11269	1.1
170.07323	0.5
173.09711	0.5
175.07611	2.8
175.11229	5.7
176.11517	0.4
177.09149	1.9
177.12805	5.4
178.13292	0.4
179.05589	1.7
185.09680	5.7
186.09988	0.4
189.09203	1.5
193.08780	0.5
193.12317	0.6
201.09198	1.0
201.12862	0.7
203.10750	11.9
204.11079	1.4
207.10246	2.7
209.11920	0.9
219.10136	0.4
221.11823	53.8
222.12160	4.8
235.13380	0.6
237.11357	1.1
239.12875	9.2
245.11862	3.7
247.09747	1.7
257.04343	0.4
263.12912	3.8
265.10855	16.2
266.11133	1.3
281.14005	6.1
283.11917	7.7
284.03186	0.8
285.04135	0.9
286.04346	1.0
287.04675	1.0
293.13818	0.4
298.04529	0.7
307.12003	6.1
323.14990	0.5
324.04965	0.6
325.12991	59.4
326.13367	5.8
367.14081	1.8
370.85092	0.4
383.17163	0.5
427.16281	1.7
445.17200	2.7
449.09744	2.0
470.03116	0.3
487.10898	1.8
487.18210	22.2
487.29773	4.5
488.11948	0.5
488.18686	3.4
488.29498	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	2.8
58.00480	1.2
59.01264	100.0
60.01599	1.0
60.24425	0.4
60.99164	0.4
66.56371	0.4
67.01774	0.4
69.03346	1.8
69.87074	2.5
71.01270	13.4
71.04910	4.4
72.99198	7.0
73.02837	2.8
75.00767	15.4
75.85150	0.3
81.03344	0.4
81.65274	0.4
83.01289	1.3
83.04915	20.0
85.02853	3.1
87.00788	1.2
87.04417	1.2
89.02341	9.6
89.02903	0.4
93.03374	0.7
93.44164	0.4
95.01309	1.2
95.04935	1.4
96.95927	1.6
97.06493	1.0
98.30679	0.4
99.00810	0.6
99.04417	2.9
101.02341	6.4
101.03002	0.4
103.00291	0.6
104.18312	0.4
104.83401	0.4
105.07015	1.4
107.04929	3.4
107.08566	10.4
109.06498	5.5
110.61119	0.4
111.04440	0.8
113.02358	6.8
113.06013	0.5
117.01846	3.9
118.86078	0.4
119.03407	3.0
120.05711	1.0
121.06505	0.6
123.04514	0.5
125.06036	0.4
131.03450	0.5
131.08606	1.1
133.06517	10.9
133.07471	0.8
133.10202	1.3
135.04440	0.5
135.11725	0.4
142.78761	0.5
143.03490	0.5
145.10213	0.5
147.08115	1.1
149.06009	0.4
149.09694	0.8
151.07582	5.1
152.07927	0.5
157.06534	0.6
159.08109	2.7
159.11731	1.7
161.04498	1.4
161.09660	3.6
163.11232	1.2
170.07399	1.0
175.07649	2.1
175.11243	5.5
177.09218	1.4
177.12787	5.6
179.05606	0.9
185.09695	7.2
189.09187	1.7
203.10741	11.1
204.11150	0.8
207.10228	2.3
221.11832	31.0
222.12065	2.6
223.13464	1.2
237.11353	0.8
239.12914	10.9
240.13272	0.9
245.11845	3.0
246.12419	0.4
247.09883	0.8
263.13031	2.9
265.10864	13.8
266.11249	1.4
281.14044	5.0
282.14447	0.5
283.11902	4.7
307.11929	5.8
308.12347	0.4
323.15305	0.6
325.12979	30.6
326.13324	3.2
367.14017	0.6
427.16406	0.8
428.16953	0.5
436.78168	0.6
445.17325	2.1
450.38412	0.4
487.18341	12.3
488.18732	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	487.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.6
58.00471	1.0
58.02880	0.4
59.01264	100.0
60.01587	1.4
60.29076	0.4
60.50568	0.4
60.99164	0.5
61.98735	0.7
69.03345	1.6
69.56543	2.3
69.56953	0.9
71.01272	15.5
71.04900	5.6
72.99196	9.7
73.02835	2.8
74.62075	0.4
75.00758	18.0
77.37879	0.5
79.05405	0.6
81.03353	0.7
81.06972	0.4
81.97275	0.4
83.01275	1.7
83.04916	22.5
84.02068	0.6
84.05229	0.6
85.02838	4.6
87.00770	2.1
87.04416	1.7
89.02338	10.6
91.00271	1.8
95.01300	1.3
95.04941	1.5
96.65347	0.4
96.95924	1.3
97.06493	1.3
98.19743	0.4
98.20327	1.5
99.00783	1.0
99.04430	2.2
101.02351	9.5
101.05988	0.8
102.01841	0.7
103.00255	0.6
105.07018	1.3
107.04931	3.9
107.08569	11.0
108.08971	0.6
109.06503	5.7
111.00776	0.5
111.04421	0.7
112.02750	0.4
113.02356	7.6
117.01837	4.2
119.03414	4.4
120.05717	0.5
121.06548	1.0
123.04444	0.5
125.02275	0.7
125.05989	0.6
129.01830	0.4
131.03412	0.9
131.08598	1.1
133.06516	10.1
133.10170	1.6
143.03439	0.6
147.08052	0.6
149.04521	0.5
149.09703	0.8
151.07584	5.2
159.02977	0.7
159.08109	2.4
159.11743	1.7
161.04509	1.8
161.09666	4.6
163.06093	0.8
163.11290	0.7
170.07336	0.8
173.09698	0.5
175.07559	2.2
175.11235	4.6
177.09216	0.8
177.12816	4.9
179.05577	1.7
179.07016	0.5
179.10725	1.2
185.09689	7.4
189.09206	1.9
199.49498	0.4
201.09200	0.8
203.10742	12.9
204.11198	0.8
205.12276	0.6
207.10268	2.7
217.12340	0.7
221.11832	37.1
222.12215	3.1
223.13422	0.6
237.11353	1.1
239.12924	12.6
240.13118	0.8
245.11852	3.4
247.09790	1.9
263.12955	3.1
265.10873	18.2
266.11169	1.7
274.74478	0.4
281.13971	6.3
282.14334	0.5
283.11945	7.3
284.12329	0.7
307.11926	8.6
308.12271	1.3
323.15030	0.8
325.12991	42.3
326.13354	4.4
367.13971	1.1
427.16141	1.5
445.17123	3.3
487.18298	17.7
488.18442	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	487.183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.4
57.03328	1.8
58.00473	1.2
59.01262	100.0
60.01600	1.1
60.99183	0.4
61.79715	0.3
69.03339	1.5
69.70599	1.5
69.71025	0.9
71.01265	12.8
71.04901	4.5
72.01584	0.4
72.99196	6.1
73.02823	1.7
75.00760	13.8
79.05414	0.7
81.06990	0.4
83.01279	1.0
83.04912	14.8
84.05275	0.5
85.02831	3.0
86.03201	0.3
87.00766	1.2
87.04401	1.3
89.02332	11.3
91.26740	0.4
93.03330	0.4
95.01281	1.3
95.04929	1.2
96.20629	0.3
96.95916	2.3
97.06470	0.7
98.19815	0.6
99.00775	1.1
99.04405	3.2
101.02342	7.8
105.07021	1.6
107.04924	2.3
107.08562	11.2
108.08892	0.8
109.06502	4.1
111.04430	0.9
113.02355	7.5
117.01857	3.6
119.03414	5.1
120.05723	0.7
121.06511	1.2
123.04443	0.7
125.05976	1.0
129.01923	0.3
131.03448	0.7
131.08565	1.0
133.06512	7.5
133.10152	0.8
134.06914	0.6
135.04480	0.5
135.08060	0.9
143.03424	0.7
147.08080	0.8
149.05998	0.5
149.09644	0.9
151.07584	7.6
152.07867	0.5
157.10156	0.6
159.08052	1.4
159.11729	1.2
161.04491	1.9
161.09639	3.2
163.11221	1.2
166.75378	0.4
170.07355	0.4
173.09547	0.4
175.07587	2.8
175.11224	6.3
177.09183	1.1
177.12790	4.6
179.05562	1.2
183.94455	0.4
185.09663	5.9
186.10097	0.3
188.08379	0.4
189.09149	1.4
201.09019	0.7
201.12868	0.7
203.10748	10.5
204.11140	0.8
205.12325	0.5
207.10249	2.5
217.12323	0.5
219.10182	0.6
219.13893	0.4
221.11823	48.6
222.12146	3.7
223.13396	0.8
237.11264	1.0
237.13538	0.3
239.12912	9.5
240.13184	0.8
245.11919	3.3
247.09702	1.6
255.02876	0.3
263.12888	4.0
264.13220	0.5
265.10846	14.8
266.11200	1.3
266.77365	0.3
275.12933	0.5
281.13959	5.2
282.14188	0.4
283.11938	6.0
284.12296	0.4
303.63452	0.4
307.11923	7.2
308.12390	0.8
323.15109	0.5
325.12970	49.5
326.13293	5.9
354.91486	0.3
367.14078	1.2
383.16870	0.5
426.19162	0.4
427.15939	1.3
445.17285	2.7
487.18265	24.3
488.18652	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	486.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	0.5
56.51198	0.2
57.03331	0.6
58.00464	0.3
59.01263	19.3
60.01588	0.9
60.01884	0.2
61.98718	0.4
70.97688	0.6
71.01266	7.9
72.01614	0.3
72.99182	1.1
73.02830	2.3
75.00761	2.5
78.95786	0.3
83.01282	1.0
83.04877	0.3
84.66839	0.2
85.02844	2.3
87.00762	0.6
89.02328	2.9
93.78238	0.2
95.01293	0.7
97.06482	0.3
99.00777	0.5
101.02344	4.6
102.02702	0.3
113.02356	2.5
119.03410	0.4
125.09688	0.3
130.08658	100.0
131.09015	3.3
135.08099	0.5
156.00549	0.2
161.04488	0.4
171.10239	0.3
209.11778	0.7
237.75603	0.2
264.16833	0.4
289.18216	0.9
292.38138	0.2
306.20837	1.0
307.19211	1.2
324.21738	0.3
325.20251	0.7
405.21454	0.3
426.21774	0.3
430.68851	0.2
486.27240	83.7
487.27390	15.3
513.94788	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	486.2358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02829	1.5
59.01266	100.0
59.89886	1.2
60.01582	1.7
61.98712	3.9
65.14423	1.1
71.01274	27.9
71.56094	2.3
71.56429	1.4
72.99205	6.8
73.02845	3.4
75.00774	8.1
75.15615	1.4
78.95804	3.0
83.01286	2.5
83.02400	6.0
83.04916	4.3
85.02853	8.5
87.00790	6.5
88.00288	1.7
89.02338	24.9
94.02887	3.0
95.01278	3.0
96.95910	13.8
96.96862	4.0
97.02840	2.0
98.02379	95.8
98.24080	1.4
98.95456	2.1
99.00797	4.6
99.01896	6.5
99.02668	2.1
101.02361	17.4
101.23869	1.3
107.04937	1.3
107.08558	1.5
109.01606	2.0
110.02380	16.8
111.00817	2.2
111.38199	1.2
112.03923	1.4
113.02354	10.4
117.01842	1.8
119.03421	11.6
122.02392	3.2
124.75736	1.3
125.02382	2.6
129.01894	2.0
131.03474	1.8
134.02354	2.2
139.05110	1.4
143.03423	3.6
146.02402	2.4
149.47014	1.4
152.03447	2.1
160.03983	2.8
161.04469	4.7
164.03445	3.1
165.70793	1.5
175.11230	1.9
179.05597	6.6
182.04463	2.3
187.30540	1.7
203.10733	2.2
205.12314	3.3
208.54373	1.4
221.11891	9.6
225.11372	1.5
231.43198	1.4
239.12877	3.1
246.05060	1.4
246.15001	1.9
265.10803	2.1
325.12976	7.3
426.21179	3.5
486.24680	2.1
487.18262	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	485.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03337	1.1
58.00481	0.8
58.08004	0.2
58.81896	0.2
59.01265	100.0
60.01593	1.3
61.98706	0.9
62.66182	0.3
64.51855	0.2
69.03346	0.6
71.01270	24.8
71.57153	0.4
72.01596	0.3
72.83195	0.2
72.99195	1.7
73.02836	22.7
74.03178	0.3
75.00764	2.9
78.95812	1.0
81.26401	0.2
83.01277	6.8
83.04909	0.3
84.01604	0.3
85.02837	4.4
87.00751	1.3
89.02338	4.9
89.19384	0.2
95.01297	0.8
95.04909	0.3
96.96867	0.4
97.02850	1.0
97.06482	0.3
99.00774	1.2
99.04401	0.3
99.57886	0.3
101.02348	15.0
111.08065	5.7
112.08426	0.3
113.02359	6.1
113.05929	0.2
117.27312	0.2
119.03452	1.2
121.02930	0.4
125.02362	1.1
127.04033	0.2
130.08667	4.2
131.03465	1.1
132.80873	0.3
135.04456	0.4
135.08104	1.0
141.52501	0.2
143.03432	0.7
149.04494	0.4
149.09619	0.3
151.07579	0.6
155.03421	0.4
161.02428	0.4
161.04494	1.2
165.12729	0.6
171.10303	0.5
191.03413	0.3
201.16541	0.5
203.14282	0.5
209.11885	0.6
211.09650	0.6
219.17506	1.5
221.15485	3.7
222.15831	0.3
235.08374	0.2
245.15494	0.5
263.16559	9.9
264.16885	1.1
265.18121	1.1
273.77170	0.2
281.17722	0.8
283.13519	0.3
285.04028	0.5
331.25037	0.4
407.20825	0.3
425.21997	3.1
426.22171	0.3
443.22955	4.6
444.23401	0.6
467.22873	4.1
468.23233	0.7
485.24014	97.8
486.24139	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	485.24
Annotation	Taxuyunnanine P
Peak:m/z	Relative Intensity
53.48344	0.2
55.01777	0.5
57.03336	0.8
58.00477	0.5
59.01262	100.0
60.01601	0.9
61.98712	1.1
63.71124	0.2
69.03336	0.7
71.01267	23.2
72.01614	0.6
72.99205	1.2
73.02834	21.5
74.03176	0.3
74.84743	0.2
75.00761	2.8
77.84596	0.2
78.95802	1.4
83.01273	5.9
83.04901	0.3
85.02840	3.3
87.00784	1.5
89.02333	4.6
95.01289	0.8
95.04961	0.3
96.95913	0.3
96.96864	0.6
97.02853	0.7
98.19753	0.5
99.00749	1.3
99.04429	0.3
101.02342	15.6
102.02647	0.3
111.00837	0.2
111.08070	5.0
113.02360	5.7
119.03435	1.3
125.02354	0.8
127.03934	0.3
130.08662	3.1
131.03430	0.8
135.04459	0.4
135.08105	1.7
143.03465	0.6
147.11739	0.4
149.09657	0.3
151.07605	0.7
155.03421	0.3
161.02431	0.3
161.04524	1.5
165.12811	0.3
171.10236	0.5
201.16475	0.8
203.05594	0.4
203.14418	0.5
209.11792	0.7
211.09727	0.6
219.17564	1.6
221.15468	3.4
245.15598	0.4
263.16556	10.5
264.16968	0.8
265.18158	1.4
281.17584	0.4
285.04047	0.3
331.24957	0.6
382.03571	0.2
407.21204	0.4
425.21869	3.0
426.22507	0.4
441.28500	0.3
443.22873	5.0
444.23514	0.4
447.09756	0.4
467.22864	4.5
467.33981	0.4
468.23209	0.5
485.23993	92.2
486.24127	13.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.1
59.01263	0.9
61.98715	0.1
66.02009	0.1
68.81853	0.1
71.01278	0.6
71.53975	0.2
73.02835	0.4
81.03355	0.5
83.01266	0.2
85.02864	0.3
89.02322	0.2
89.03856	2.5
93.03364	0.2
95.04948	0.2
99.00789	0.1
99.50046	0.1
101.02321	0.6
104.02549	0.2
105.03366	3.9
109.02847	0.2
113.02354	0.2
121.02823	0.1
125.02351	0.1
133.02882	10.7
134.03218	0.3
137.73282	0.1
139.03906	0.1
148.01579	0.2
149.02344	0.9
161.04468	0.2
176.01120	0.7
177.01891	100.0
178.02238	5.1
279.14569	0.7
313.26852	0.1
338.06348	0.1
425.20383	1.7
426.20801	0.1
483.37448	0.1
485.13110	5.0
486.13522	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.9
57.03329	2.7
58.00477	1.2
59.01264	44.7
64.55433	0.6
65.49058	0.5
69.03345	1.0
71.01271	30.6
71.36169	1.1
72.99202	1.6
73.02450	1.0
73.02837	15.4
78.06699	0.5
78.95785	2.4
79.95611	1.1
80.07940	0.6
82.75677	0.5
83.01277	10.1
85.02844	16.9
87.00775	1.6
89.02327	4.0
90.23551	0.6
95.01286	2.1
96.66720	0.5
96.95913	43.3
96.96834	6.5
97.02865	1.2
98.02365	6.0
98.89329	0.7
99.00783	5.6
101.02345	34.6
102.02666	0.8
103.03931	1.7
113.02359	15.1
119.03386	0.9
125.02368	2.4
129.01872	1.0
143.03458	1.8
145.04997	0.8
159.02892	3.1
161.04488	10.2
161.05757	0.4
163.06053	1.8
172.50603	0.7
178.18031	0.6
205.23984	0.6
229.07190	1.2
247.08258	1.2
279.14536	59.2
280.14804	3.7
425.20370	100.0
426.20764	13.2
447.91293	0.7
456.52939	0.6
482.83868	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.274
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
53.54552	0.4
78.95795	16.9
87.59734	0.4
93.40038	0.3
93.69832	0.3
96.96882	1.9
96.97404	0.3
98.20661	0.7
105.95187	0.3
137.41283	0.4
150.97934	0.7
152.51170	0.3
152.99527	29.6
171.00572	1.5
187.83069	0.3
227.03297	4.1
245.04305	1.1
255.23334	100.0
256.23682	9.7
267.40430	0.4
391.22696	1.1
397.69812	0.4
483.27393	60.0
484.27728	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	483.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10588	0.6
55.01776	3.1
57.03327	3.1
58.00472	1.3
59.01264	64.6
60.01616	0.8
61.98703	2.6
67.41804	0.6
69.03320	0.7
69.35919	0.8
69.36318	5.7
71.01271	33.3
72.99187	2.3
73.02834	16.1
75.00761	4.8
83.01276	12.3
85.02846	18.5
85.99960	0.8
87.00769	2.2
88.98697	0.8
89.02345	5.2
95.01274	2.1
96.95869	0.7
97.02854	1.7
99.00782	5.3
101.02346	40.7
102.02660	1.1
103.03918	1.1
113.01630	1.2
113.02357	14.0
119.03391	1.2
125.02377	1.6
129.01880	0.9
131.03419	0.8
143.03401	1.4
143.80676	0.6
159.02911	1.7
161.04510	10.0
163.06078	1.2
185.11699	0.7
190.50154	0.7
229.07236	0.8
240.26898	0.7
247.08186	0.8
277.16608	58.2
278.16919	3.9
285.04053	2.9
423.22433	100.0
424.22797	14.1
439.22110	0.6
447.09387	1.6
447.15833	0.7
483.22061	1.4
483.33514	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	483.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00993	8.7
59.01261	100.0
61.98708	21.5
62.98509	6.0
68.46663	6.6
69.28837	68.1
69.52991	6.0
71.01276	25.6
71.04901	9.6
73.02823	11.5
75.00765	76.5
76.12049	6.3
78.95794	30.8
81.17061	6.5
83.01286	7.1
84.44443	6.9
85.02823	15.5
97.06523	8.3
101.02330	9.6
108.46529	6.8
110.29096	6.5
113.02381	10.5
117.01801	6.5
119.03432	6.2
135.08026	10.9
143.10683	7.6
152.99504	50.5
169.12312	13.6
208.13232	7.4
285.04062	22.5
367.41629	6.9
414.07883	7.5
418.63049	6.5
424.27539	6.8
442.28168	28.1
447.09927	10.1
462.78723	7.8
465.17688	9.4
465.31952	7.4
483.19644	56.9
483.33734	39.2
484.21997	9.9
484.29276	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11782	0.5
54.35752	0.5
59.84664	0.5
68.54202	0.5
71.12851	0.6
71.13182	0.9
74.95937	0.5
78.95790	46.2
80.44740	0.5
89.23910	0.5
96.96854	3.8
103.82507	0.5
152.99530	62.8
171.00597	18.2
227.03229	4.6
245.04338	100.0
246.04614	3.3
253.21759	63.9
254.22148	6.9
305.47949	0.6
445.24594	0.5
481.25806	52.4
482.26144	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	482.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	0.3
59.01263	18.6
61.30431	0.3
61.98717	100.0
69.03365	0.3
71.01273	7.4
72.99216	0.4
73.02834	8.5
75.00765	2.6
83.01280	2.4
83.01756	0.4
85.02850	0.8
87.00782	0.5
89.02332	1.8
101.02345	10.2
113.02349	2.6
115.92950	0.3
119.03439	1.0
131.03450	1.2
135.08121	1.0
143.03456	1.1
149.04483	1.5
161.04492	3.4
183.08551	0.4
203.05719	0.6
221.06744	0.7
233.08403	0.3
246.88539	0.3
248.52791	0.3
284.03275	0.4
285.04208	0.8
336.70035	0.3
351.82297	0.3
432.01526	0.3
447.09641	0.7
450.16568	0.4
465.32242	0.3
483.22729	0.5
483.34085	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.8
57.03331	2.2
59.01267	23.5
61.98725	2.4
65.03846	1.7
69.55662	5.6
71.01270	18.9
72.99197	5.5
73.02837	4.1
73.65443	0.7
75.00764	6.0
81.03348	2.3
83.01299	2.3
83.04922	4.0
85.02859	5.7
87.00790	1.7
89.02341	11.5
90.01862	1.2
91.00263	11.8
93.02768	1.9
93.03362	39.8
94.03733	1.7
95.01299	3.1
96.95928	2.3
97.02882	1.3
98.19867	1.1
99.00808	3.1
99.04463	0.9
101.02348	11.3
111.04433	9.8
113.02353	7.7
117.03394	2.0
119.03488	5.4
119.04948	100.0
120.05315	4.6
123.08041	0.7
125.02404	1.6
131.03415	0.9
137.02374	29.3
138.02769	1.2
143.03391	1.6
145.02878	8.1
149.09521	0.8
151.00334	1.6
155.03445	20.1
157.97932	0.8
159.02956	1.7
161.04533	6.6
161.09702	0.8
163.03963	95.5
164.04308	5.6
165.09207	1.2
179.05638	1.8
179.10728	7.7
201.11414	3.4
205.12369	1.3
209.11786	4.9
223.13483	4.2
227.13000	1.1
241.14502	2.3
253.09169	1.3
319.08310	73.4
320.08606	9.2
320.87711	0.8
325.09454	2.2
347.17398	2.6
361.09521	2.3
377.18506	0.8
387.20392	1.8
421.20972	1.9
437.20560	1.0
481.13754	35.6
481.27475	1.2
482.13895	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	481.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01763	3.5
57.03337	5.3
58.00471	4.4
59.01263	98.8
60.76003	1.7
61.98720	8.8
71.01269	73.3
71.56341	2.1
71.56770	2.9
71.67218	2.0
72.99200	28.4
73.02829	13.2
75.00766	24.8
83.01289	6.7
83.04927	5.0
85.02834	23.0
87.00753	11.8
88.98727	5.2
89.02336	54.0
90.01862	5.3
91.00258	55.2
95.01308	4.9
96.95907	3.1
97.06577	1.9
99.00788	8.6
101.02348	50.2
101.79971	2.2
102.02664	1.8
109.06460	2.2
113.02354	34.0
113.05991	3.4
119.03416	20.4
123.79585	1.9
127.11187	2.3
129.01823	2.6
135.83980	1.8
141.09018	2.6
143.03444	6.2
159.02946	3.9
161.04521	16.0
163.06082	3.9
163.11250	3.3
179.05591	8.6
179.31314	2.1
200.75420	2.1
201.11299	53.8
202.11516	2.9
202.72520	2.0
209.11818	100.0
210.12183	9.1
215.12885	2.0
223.13416	2.7
227.12915	16.7
253.09312	25.1
257.13028	2.5
259.15500	3.0
301.12122	4.3
301.20612	2.4
347.16913	4.6
387.20331	3.6
421.20883	8.0
437.20389	4.1
481.20203	2.6
481.26752	39.5
482.27179	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	481.1359
Annotation	Catalposide
Peak:m/z	Relative Intensity
55.01757	0.8
57.03327	1.8
59.01260	23.4
61.98705	2.2
62.23969	0.6
65.03833	1.2
69.96283	2.1
71.01268	18.3
72.99197	7.3
73.02831	3.9
75.00766	6.1
81.03352	2.6
83.01270	1.6
83.04912	5.1
85.02846	6.2
87.00778	2.4
87.48296	0.5
88.98722	0.9
89.02333	12.2
90.01854	1.1
91.00263	12.5
91.00838	0.6
93.03353	34.8
94.03707	1.2
94.97975	0.6
95.01272	2.1
96.95913	1.4
99.00778	2.7
101.02344	12.9
109.02813	1.1
111.00816	0.6
111.04430	10.3
113.02351	8.8
117.03388	1.7
119.03439	5.1
119.04939	95.2
120.05264	4.7
121.02874	0.8
123.04453	0.6
125.02348	1.6
129.01857	0.6
131.03413	0.6
137.02373	27.3
138.02739	0.7
141.01840	0.8
143.03426	1.9
145.02872	9.6
146.03178	0.5
147.13239	0.5
151.00250	1.2
151.11140	0.6
153.01875	0.7
153.09111	1.2
154.64197	0.5
154.99799	0.5
155.03435	20.5
156.03754	0.6
159.02917	1.1
161.04497	5.9
161.09660	1.2
163.03949	100.0
164.04266	5.6
165.09172	0.6
167.07191	0.5
178.99892	0.8
179.05553	1.8
179.10704	6.5
198.89598	0.5
201.05400	0.6
201.11319	3.5
205.12354	1.4
209.11795	5.3
222.12541	0.8
223.13393	4.4
227.12866	1.1
241.14513	1.8
253.09322	2.3
301.03558	1.1
319.08264	93.6
320.08585	7.0
325.09290	2.6
341.05127	0.7
347.17282	1.5
348.97888	0.5
356.09903	1.1
361.09631	2.6
387.20273	1.4
389.17944	0.8
393.60791	0.6
421.20987	1.9
430.45233	0.5
437.20239	0.9
445.17526	0.9
481.13657	45.0
481.26782	2.2
482.14044	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	480.246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	3.6
60.01603	0.4
61.01694	0.5
61.98715	100.0
69.44812	1.3
69.45228	0.4
71.01282	1.1
72.01616	0.2
73.02839	0.5
75.00774	0.7
85.02862	0.3
89.02341	0.6
90.97813	0.2
94.33868	0.2
95.01252	0.2
99.00789	0.2
101.02328	1.0
107.98064	0.2
113.02377	0.6
119.03392	0.2
161.04494	0.3
168.67880	0.2
394.46744	0.2
418.25797	0.3
419.25833	0.3
420.25977	1.2
480.33017	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	479.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01598	1.2
61.98716	0.4
70.72749	0.3
71.01278	0.3
72.99191	0.2
75.00761	0.9
77.03070	0.1
78.95795	0.3
87.00804	0.1
87.04405	8.3
88.04768	0.3
89.02332	0.2
93.87468	0.1
95.45715	0.1
96.95930	0.2
97.06513	0.1
101.02316	0.2
113.02331	0.2
131.89177	0.1
152.99522	0.2
171.10196	0.1
181.33165	0.1
197.11858	0.2
201.09209	0.1
211.13237	0.1
214.06395	0.2
276.13852	0.2
293.21506	0.2
389.71976	0.1
479.24014	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	479.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78925	1.3
57.03329	1.3
59.01263	10.6
61.11013	1.0
61.98714	2.2
67.21375	1.0
69.03319	1.3
70.31094	4.7
71.01276	2.3
75.00766	2.5
77.00459	1.0
78.95793	17.8
96.95918	3.6
97.02884	1.4
99.08047	3.3
100.84435	1.2
109.06470	1.2
110.98428	11.4
113.09620	4.2
127.07507	1.3
129.09149	5.2
138.15295	1.2
152.99509	1.9
163.11179	1.4
164.89290	1.1
167.01106	8.9
167.10646	1.6
169.12318	2.9
171.10197	3.4
181.12328	5.8
183.13847	2.0
185.02173	10.0
193.12286	2.6
197.11803	13.1
199.13345	6.8
207.10196	2.1
211.13406	18.6
212.13808	1.3
217.00360	2.8
222.26311	1.3
225.11244	1.9
275.20160	1.7
293.21265	14.2
294.21710	1.4
311.22324	100.0
312.22592	14.5
428.79706	1.1
479.17288	1.9
479.24268	59.3
479.29337	2.2
480.24472	9.0
492.68900	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.7
58.00474	3.7
59.01262	84.7
59.24763	3.5
60.01594	2.9
60.99197	4.2
61.98708	10.4
69.46382	2.8
69.56009	3.2
70.30692	5.1
70.31080	7.2
71.01269	66.2
71.20145	3.0
72.00844	2.9
72.99198	55.2
73.02837	11.5
75.00761	39.3
75.87086	3.1
79.54040	2.8
85.02842	28.9
85.72285	2.7
87.00761	15.9
88.98700	13.7
89.02330	64.5
90.01868	11.1
91.00262	100.0
95.04897	3.3
96.95895	3.0
97.02843	4.6
97.06513	4.0
99.00785	7.8
99.04380	3.0
101.02350	49.3
111.00836	3.2
112.25075	3.2
113.02354	33.9
116.92773	3.7
119.03405	16.4
131.03423	4.1
139.07637	4.3
143.03419	6.2
159.02867	4.0
161.04498	20.0
161.09654	5.4
163.07465	5.3
171.10239	27.0
179.05530	9.3
179.10707	9.2
193.12285	3.7
201.11328	7.0
203.10707	8.8
207.10220	9.6
221.11870	30.8
225.11354	21.0
225.14856	6.8
239.12834	3.4
271.09848	3.5
299.09528	5.8
299.18619	4.5
351.33728	3.6
387.20218	7.6
388.20682	4.1
391.86661	3.6
419.19022	4.7
427.42807	3.7
479.25583	27.4
480.24918	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	479.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69640	1.1
57.03340	3.3
58.00478	1.8
59.01265	70.1
61.98715	100.0
62.98434	1.4
63.99151	1.4
69.03359	1.3
71.00897	2.2
71.01269	30.6
71.58466	1.8
72.01572	1.2
72.99196	14.5
73.02834	5.0
75.00763	71.9
83.01286	1.7
83.04928	1.4
85.02845	8.8
87.00761	5.1
87.04420	2.3
88.00282	1.2
88.98699	5.3
89.02337	30.7
89.10587	1.1
90.01860	2.2
90.02687	1.8
91.00266	21.6
95.01283	1.8
95.04955	1.6
97.06526	1.5
98.02362	1.6
99.00780	3.6
99.04403	1.5
101.02343	17.0
109.02873	2.2
111.22620	1.1
113.02354	12.5
119.03419	10.3
125.02329	2.9
125.05979	2.9
131.03391	1.3
137.05992	1.5
139.00299	1.5
140.10539	1.1
143.03421	1.4
144.56628	1.3
153.01892	3.4
161.04486	4.6
161.09666	2.0
163.07637	1.2
171.10217	12.9
179.05577	4.6
181.01357	1.5
190.04939	1.6
195.10213	2.0
201.11215	1.9
203.10776	1.5
207.10323	2.6
221.11795	2.7
225.11305	9.6
243.12309	1.2
253.09393	2.0
317.03015	2.0
321.89941	1.3
389.13843	1.5
419.17853	3.6
479.25189	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0839
Annotation	Gossypetin 7-glucoside
Peak:m/z	Relative Intensity
50.14321	0.8
59.01260	13.1
63.02260	1.4
65.00203	7.2
67.14160	0.8
68.99712	1.6
71.01273	6.6
71.04891	1.3
71.57185	1.6
72.99187	1.4
73.02820	1.4
75.00763	10.0
81.03333	1.4
83.01256	5.2
84.81075	1.0
85.02830	1.8
85.64768	0.8
87.00726	1.9
89.02301	3.8
91.01784	1.3
92.85839	0.8
93.03300	1.3
95.01254	3.2
97.02827	3.9
97.06447	1.0
99.00776	12.5
101.02348	6.0
107.01287	12.1
108.02039	2.6
109.02859	53.7
109.06438	1.1
110.06016	1.0
111.00785	7.8
113.02329	2.9
119.03390	1.3
121.02824	3.1
123.00809	5.1
124.01552	2.0
124.98676	1.7
125.02343	13.1
125.09592	3.8
126.02910	1.0
131.01189	2.2
133.02834	5.9
135.00800	4.5
135.08012	0.9
136.01501	1.1
136.98674	1.1
137.02365	10.7
139.00305	14.5
141.01807	1.6
146.91232	1.0
148.01566	1.1
149.02310	4.1
150.02963	0.9
151.00304	50.1
152.00781	4.1
153.01868	71.4
154.02162	2.3
157.02760	1.0
157.63547	0.9
159.04346	1.7
161.02336	2.0
161.04364	1.5
163.00313	32.2
163.03905	1.4
163.11230	7.7
164.01048	4.9
165.01874	7.9
166.99730	1.7
167.03462	1.1
169.01323	3.8
171.10112	2.8
171.20337	1.0
175.00319	10.6
175.03932	1.2
176.01045	0.8
177.01877	9.2
178.99808	16.8
180.00287	1.5
181.01381	29.2
181.12268	13.1
183.04387	1.0
187.03920	2.3
190.98505	0.8
190.99820	10.4
191.03371	1.3
192.00482	3.8
193.01404	5.3
195.02934	1.3
199.03951	2.3
199.13347	11.6
201.01926	4.4
201.05472	2.1
203.03355	3.0
205.01378	2.3
205.05136	1.1
206.97638	1.3
206.99359	17.5
207.02814	1.9
207.10242	22.2
208.00052	4.3
208.10559	1.5
211.03911	1.8
215.03336	3.2
216.04144	2.9
217.04964	1.8
219.02899	4.1
225.11316	37.0
226.11623	2.1
227.03529	6.6
229.04976	3.9
230.02075	1.7
231.02992	5.7
232.03444	1.1
242.02127	3.1
243.03032	8.3
243.12418	26.6
244.03555	3.4
244.12622	1.7
245.04529	9.7
253.09294	1.7
255.03029	6.3
259.02130	1.1
271.02509	10.1
272.03262	5.2
273.04071	16.2
273.13239	1.2
284.03329	7.0
285.03979	7.0
286.04489	1.2
288.02640	1.1
289.03421	3.9
298.00937	1.5
299.02060	15.7
299.18573	1.3
300.02396	2.9
301.03165	1.2
313.05646	2.2
316.02243	8.3
317.03064	97.0
318.03482	10.9
341.05273	6.7
343.06671	8.2
344.07239	2.5
355.06543	3.2
369.04550	8.6
370.05225	4.0
373.05414	1.1
407.09872	13.5
408.10168	1.6
419.18945	1.5
429.97015	1.0
433.07700	2.0
435.09332	5.0
451.08679	4.2
461.02408	0.9
461.07391	9.6
462.07800	2.3
478.23669	2.0
479.08408	53.6
479.21152	100.0
480.08838	8.2
480.21832	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	478.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.4
59.01261	100.0
60.01601	1.0
61.98716	2.6
64.18479	0.3
71.01269	2.4
71.57638	0.4
72.97396	0.4
72.99207	0.9
73.02843	0.6
75.00755	5.9
78.95789	0.3
83.04923	0.5
85.02843	0.6
87.00801	1.1
89.02338	0.8
96.95945	0.6
97.06528	0.3
99.00787	1.1
101.02360	1.4
108.02090	0.4
113.02362	1.3
117.01885	0.3
118.98046	0.7
125.02336	0.3
131.01457	0.3
135.04463	1.0
136.05235	0.6
147.04443	0.6
148.05185	0.4
152.99570	0.3
161.04489	0.3
165.00043	0.3
173.06007	0.4
174.06760	0.4
186.06781	0.4
187.07582	0.4
191.03418	0.7
192.04137	0.4
200.04774	0.4
201.05571	0.6
209.11887	1.2
210.12259	0.4
211.13425	0.4
214.06340	1.0
215.07219	1.0
225.11319	0.5
229.08797	0.5
230.09509	0.4
241.12892	0.3
276.13913	0.5
284.33554	0.3
285.04205	0.4
296.45212	0.3
317.14041	0.4
335.18991	0.6
353.14032	0.4
450.91931	0.3
461.18875	0.4
477.28647	0.4
478.28372	0.9
479.20743	0.7
479.32980	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	478.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.4
59.01260	11.9
60.01598	0.6
61.01675	0.4
61.98714	100.0
67.29630	0.2
70.90261	0.5
70.90598	0.5
71.01265	5.3
71.01624	0.5
72.01596	0.8
72.99194	2.2
73.01714	0.4
73.02818	1.8
74.02316	0.3
74.03160	0.3
75.00760	4.5
83.01285	0.9
84.01606	0.3
85.02842	2.6
87.00775	0.9
88.98708	0.6
89.02333	4.0
89.71046	0.2
90.01863	1.6
91.00273	1.8
99.00793	0.6
101.02345	4.5
102.02701	0.6
103.02802	0.5
113.02345	2.3
114.02737	0.3
115.70080	0.3
119.03455	1.1
125.02390	0.7
125.06031	0.3
129.01884	0.7
143.03455	0.5
153.01866	0.5
159.02954	0.3
161.04539	1.4
162.04868	0.4
163.04938	0.6
166.64780	0.3
167.70090	0.3
171.10251	0.9
173.46988	0.3
179.05602	0.4
210.90544	0.3
225.11406	0.8
263.25189	0.3
269.10410	0.9
270.10648	1.7
271.10773	1.5
272.11102	1.7
289.72974	0.3
317.03207	0.4
352.54395	0.3
416.16769	0.9
417.16638	1.7
418.17023	7.6
419.17261	0.6
478.24234	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	1.9
56.72657	0.3
57.03332	1.4
58.00474	0.8
59.01262	100.0
60.01591	1.4
61.98723	1.6
71.01268	27.9
71.57353	0.6
72.01614	0.7
72.99201	1.7
73.02834	7.4
73.03242	0.5
74.03162	0.5
75.00755	5.9
75.01151	0.5
78.68900	0.3
83.01280	2.8
85.02839	10.8
86.03172	0.4
87.00753	0.9
87.04420	0.6
89.02338	9.2
90.98515	0.5
93.03379	0.4
95.01305	1.5
97.02865	0.6
97.06487	0.7
99.00776	3.4
101.02343	16.4
102.02686	0.6
109.02861	0.8
111.00804	0.5
113.02354	11.8
114.02728	0.8
118.98019	0.9
119.03407	3.3
125.02383	0.8
127.36682	0.3
129.01880	0.5
131.03423	0.6
135.04469	0.7
143.03487	1.7
147.03203	2.5
147.04256	0.4
148.03986	1.4
149.04416	0.4
151.07529	0.4
159.02925	2.2
161.04497	16.6
162.04800	0.4
171.10381	0.5
179.05562	1.9
191.03619	0.9
199.13573	0.4
205.03468	0.6
255.03323	0.4
255.19801	1.3
285.03976	1.0
286.04269	0.8
287.04843	0.7
297.12650	1.6
301.03464	1.8
417.25021	44.5
418.25360	5.6
433.21423	0.5
476.32739	0.8
477.09711	1.6
477.18689	1.0
477.23624	3.1
477.33606	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	477.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13202	2.6
57.03326	3.3
59.00996	4.6
59.01265	64.6
61.98707	12.1
68.23798	2.6
69.03360	3.8
69.77586	17.0
71.01270	5.2
75.00735	3.1
78.95793	36.3
81.03356	3.4
82.06241	2.9
83.01275	12.4
83.04903	4.8
83.45602	2.7
95.04903	2.9
95.88768	2.5
97.06479	6.8
98.19798	3.5
110.98436	20.0
125.09628	15.0
128.42189	3.2
139.11223	7.9
141.09137	3.4
152.99504	5.4
163.11247	7.1
165.12762	23.9
167.01105	9.6
167.10727	5.2
181.12308	6.5
185.02252	13.7
191.10768	7.7
193.15892	7.5
209.11818	100.0
210.12099	5.2
247.20752	13.9
257.24438	2.8
265.21606	3.1
289.18170	4.8
291.19739	96.7
292.20081	6.4
309.17285	6.0
309.20798	94.5
310.20975	12.0
379.23578	3.1
417.25375	3.2
440.93039	3.2
477.15869	4.1
477.22675	78.0
477.29108	4.7
478.16431	2.8
478.23010	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	477.2502
Annotation	Melissoidesin R
Peak:m/z	Relative Intensity
50.56372	0.8
51.06802	0.8
59.01265	100.0
60.01596	1.2
61.98698	2.8
71.01270	22.4
71.04908	1.1
72.99182	2.0
73.02831	12.2
73.38374	0.9
75.00756	6.0
78.95792	3.9
83.01273	3.9
85.02848	8.0
87.00781	1.9
89.02334	6.4
95.01288	2.0
96.95914	5.5
97.02840	1.4
99.00766	2.0
101.01799	1.2
101.02357	14.5
113.02344	7.6
119.03425	2.0
125.02334	2.2
135.04414	2.0
137.02327	1.1
143.03488	1.1
151.00311	2.2
152.99460	1.7
161.04460	2.4
163.07523	1.3
167.01111	1.3
167.90463	0.9
171.10149	1.7
189.13100	0.8
192.04158	1.5
197.11716	2.2
209.11856	3.2
211.13254	1.1
237.73640	0.9
273.18481	1.1
291.19720	1.6
309.20847	2.6
343.25064	7.3
347.26450	1.5
417.22827	29.3
418.23264	4.2
433.33380	1.9
435.23901	29.5
436.24179	4.1
477.15176	3.7
477.24918	59.6
478.25403	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	477.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14027	2.2
57.03324	2.1
58.00479	2.4
59.01265	100.0
60.01598	2.1
61.98726	13.0
69.61584	14.1
71.01264	51.0
72.99198	45.8
73.02831	8.6
75.00767	18.6
83.01293	4.7
85.02843	13.1
86.02329	4.4
87.00767	67.1
88.00298	24.4
88.98710	9.3
89.02335	66.1
90.01857	6.1
91.00261	56.2
95.01298	5.3
99.00752	7.5
101.02336	31.2
101.97756	2.1
106.19399	2.0
111.00775	1.9
113.02348	21.3
119.03417	19.7
122.79882	1.8
127.04691	1.7
131.03398	4.8
141.01715	2.6
143.03398	5.3
159.02850	2.4
161.04527	9.9
175.02409	3.1
177.04079	2.2
179.05582	17.5
181.05042	2.2
189.87354	2.0
219.10252	9.5
237.11366	2.0
242.30782	2.0
270.10760	2.6
271.11288	2.3
381.41888	2.4
389.21735	5.1
417.16696	11.9
417.21548	5.2
477.23431	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	477.1987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01812	1.1
57.03350	1.1
58.00507	0.7
59.00987	0.8
59.01263	23.7
60.01616	0.6
60.62938	0.6
61.98709	3.6
69.03336	3.4
70.65010	0.5
70.71385	0.7
70.71736	1.8
71.01268	12.7
71.04955	2.2
72.99194	3.6
73.02821	3.1
74.02361	5.4
75.00352	0.6
75.00761	19.0
75.75455	0.5
76.37086	0.6
83.01321	2.0
83.04946	1.2
83.97949	0.6
85.02844	4.0
87.00817	2.1
88.98701	3.1
89.02331	9.4
95.01295	1.0
96.95964	0.8
97.02874	0.6
97.06528	1.0
99.00799	1.4
101.02345	11.3
105.01849	0.8
107.01356	0.6
113.02361	5.5
119.03462	2.1
123.08124	1.0
125.02392	1.2
125.09708	1.7
129.49756	0.6
131.03416	0.6
137.02396	0.8
143.03467	1.1
147.04486	0.5
149.04495	0.6
151.00282	0.9
151.11264	2.1
153.12830	1.7
161.04509	3.3
161.09694	3.8
168.03094	0.6
179.05647	0.6
179.10736	6.4
183.34756	0.5
189.01891	0.8
197.11804	80.3
198.12161	5.9
201.01955	0.7
209.11803	1.5
223.09795	2.5
241.10844	7.4
253.09329	6.1
255.02988	1.5
255.16028	0.9
257.04504	0.7
261.98019	0.5
283.02420	1.3
285.13239	0.9
287.02179	0.7
297.03894	0.8
301.03574	8.4
302.03876	0.7
420.16882	0.8
441.61310	0.6
459.18185	1.0
477.19449	100.0
478.19788	12.4
478.26224	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	477.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68040	0.5
55.01764	0.6
57.03343	1.4
58.00484	0.6
59.01265	16.5
59.01724	0.7
61.98724	1.1
65.00220	1.1
67.01822	0.6
68.99705	0.8
69.03351	3.2
69.40285	5.3
70.78937	0.6
71.01270	8.3
71.04922	2.1
71.05263	0.5
72.99206	2.5
73.02844	1.7
74.02385	0.8
75.00756	5.6
83.01263	2.8
83.04946	1.0
85.02843	4.8
86.97110	0.6
87.00780	2.1
89.02328	4.9
93.03373	0.7
95.01284	1.3
96.17543	0.5
96.28257	0.5
97.02859	0.7
97.06514	1.0
98.68694	0.6
99.00792	1.5
101.02358	4.9
105.01871	1.2
107.01318	1.4
109.02885	1.0
111.00802	3.9
113.02365	6.2
117.03429	0.7
119.03403	1.1
123.08143	0.6
125.02380	2.6
125.09661	2.2
135.00821	0.9
137.02348	0.9
139.00296	7.7
140.01100	4.0
147.04437	0.8
149.02396	1.2
151.00331	5.2
151.11230	2.2
152.01048	0.8
153.01860	1.9
153.12810	1.9
161.04498	1.4
161.09676	2.5
163.00316	0.9
175.02464	1.8
178.99821	1.6
179.10771	6.5
181.01389	4.4
182.02124	1.0
183.13771	0.5
185.06078	0.6
187.03938	1.0
193.01408	2.0
195.10289	0.6
195.31380	0.5
195.69530	0.5
197.11827	97.1
198.12134	6.7
198.49956	0.5
201.05524	0.6
205.08725	1.0
209.11852	2.5
211.03883	0.6
215.03575	1.0
222.68922	0.6
222.88268	0.5
223.09804	3.6
227.03476	1.3
229.05006	1.2
231.02904	0.6
241.10860	11.4
242.11237	1.2
245.04608	1.1
253.09329	4.4
255.03032	2.9
257.04504	3.3
269.04761	1.0
273.04132	2.6
283.02631	2.8
285.13516	1.2
297.12711	0.7
301.03595	31.0
302.04202	5.6
315.14328	0.7
357.04944	0.7
366.61230	0.7
429.71594	0.6
459.18793	1.5
477.06421	2.5
477.19794	100.0
478.20163	13.4
478.26254	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	477.0684
Annotation	Herbacetin 8-glucuronide
Peak:m/z	Relative Intensity
57.03330	0.9
59.01266	3.2
63.02267	0.9
64.83515	0.3
65.00204	3.5
67.01760	1.0
68.99700	0.8
70.96819	1.1
71.01266	3.3
72.99182	0.8
73.02821	0.4
75.00762	1.8
81.03346	0.6
83.01266	3.4
85.02839	5.6
87.00746	1.2
89.02311	0.7
91.01790	0.6
93.02851	0.3
93.03351	2.6
95.01286	3.5
99.00787	1.7
103.00240	1.1
107.01300	5.3
108.02074	0.5
109.02888	1.7
109.03505	0.4
111.00792	13.0
111.01525	0.5
113.02347	10.5
117.03338	2.8
119.04915	0.4
121.02859	1.9
123.00800	1.1
124.01542	1.0
125.02373	6.3
129.01846	0.4
133.02870	1.7
135.00835	1.8
135.04443	1.4
137.02391	2.3
139.00301	30.1
140.01105	13.6
141.01859	0.9
143.04941	0.8
145.02850	1.5
147.00734	0.5
147.04535	0.6
149.02379	4.2
151.00302	15.0
152.01025	1.5
153.01869	5.6
155.04897	0.4
157.06532	0.6
159.04466	2.0
161.02379	1.5
161.05951	0.5
163.00311	3.7
163.03938	0.6
164.01022	1.1
164.98215	0.4
165.01863	1.2
166.99789	0.4
167.04958	0.3
169.01312	0.4
171.04431	1.2
173.06012	1.0
175.02481	3.2
175.03839	0.7
177.01881	1.4
178.99814	7.1
181.01395	15.2
182.02165	3.1
183.04424	1.3
185.02446	0.4
185.06018	1.5
186.06633	0.5
187.04002	2.7
189.01871	0.8
189.05531	0.6
191.03461	1.5
192.00578	1.0
193.01379	3.9
199.03947	0.4
201.01845	0.6
201.05611	1.9
203.03409	1.2
206.99318	1.7
208.00130	2.0
209.00894	0.8
211.03952	1.6
213.01823	0.5
213.05525	1.4
215.03494	2.9
216.04057	0.5
217.01389	1.0
217.05077	0.9
227.03650	1.6
229.01482	0.6
229.05092	3.2
231.03001	2.0
233.04564	2.3
239.03497	0.8
243.03040	1.8
245.04529	3.8
255.03026	9.2
256.03494	1.1
257.04620	8.1
258.01941	0.4
258.04895	0.7
259.02365	0.6
269.04593	1.9
272.03284	0.4
273.04108	8.4
274.04391	0.6
283.02539	7.7
284.03082	2.2
285.04056	0.5
300.02606	0.6
301.03589	100.0
302.04144	15.3
302.07745	0.5
315.03986	0.6
343.04724	1.4
357.04712	3.1
358.05527	1.7
373.05783	0.7
477.06891	11.9
477.24274	0.4
478.07495	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	477.0684
Annotation	Isoetin 4'-glucuronide
Peak:m/z	Relative Intensity
55.08047	0.2
57.03331	0.4
59.01264	2.1
63.02267	0.2
65.00202	1.0
67.01781	0.2
67.96140	0.1
70.13844	0.8
71.01268	2.0
72.99176	0.5
73.02817	0.4
75.00758	1.1
83.01263	0.6
85.02837	3.0
87.00764	0.7
89.02326	0.4
93.03357	0.2
95.01282	1.1
98.19902	0.2
98.20461	0.2
99.00758	1.2
101.02318	0.3
103.00269	0.4
107.01293	1.7
109.02220	0.2
109.02866	0.7
111.00767	0.6
113.02346	3.2
114.02696	0.3
115.00258	0.4
117.01867	0.2
119.04920	0.2
121.02839	0.6
123.00775	0.3
124.98666	0.2
125.02353	1.5
125.23021	0.2
129.01900	0.2
133.02866	2.6
133.59648	0.2
134.03270	0.2
135.04422	1.9
136.98749	0.5
137.02368	1.6
139.00327	1.2
147.00810	0.3
147.04462	0.3
149.02390	3.2
151.00310	5.4
151.01524	0.3
152.00699	0.2
159.04480	0.4
163.00328	0.3
163.03903	0.2
164.98228	0.6
165.01909	1.8
165.99017	0.2
166.99797	0.9
169.01413	0.2
171.04362	0.3
173.02377	0.2
173.06039	0.4
175.00317	0.3
175.02417	0.7
175.03961	0.5
177.01782	0.2
178.99788	0.7
183.04486	0.5
185.06030	0.5
187.03920	0.6
189.05516	0.5
190.94406	0.2
190.99881	0.2
191.01868	0.2
191.03464	0.6
192.00636	0.5
193.01355	0.4
197.02589	0.2
198.03233	0.2
199.03983	0.3
200.04498	0.2
201.01942	0.3
201.05527	1.0
203.03479	0.5
211.03960	0.8
213.01833	0.2
213.05513	0.6
214.02634	0.4
215.03494	1.2
216.04121	0.2
217.01447	0.3
217.05168	0.2
227.03503	1.0
229.05086	1.5
230.02153	0.2
231.03033	0.3
233.04544	0.7
239.03481	0.7
240.04184	0.2
243.02881	0.2
245.04431	0.5
255.03027	4.9
256.03552	0.6
257.04599	4.4
258.04956	0.5
259.02545	0.4
271.02515	0.3
272.03101	0.3
273.03903	0.7
283.02524	4.3
284.03104	0.9
285.04184	0.5
297.04135	0.2
299.02051	0.2
300.02704	0.9
301.03571	100.0
302.03918	9.5
313.03525	0.3
343.04492	0.9
371.04010	0.2
373.05713	1.0
477.06799	9.3
478.07184	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2792
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
59.01260	0.2
62.96289	0.3
70.06923	1.1
78.95793	100.0
96.96864	8.9
140.01085	1.0
150.97984	0.3
152.99522	17.6
153.99867	0.3
171.00592	20.7
172.00981	0.5
196.03770	1.6
214.04849	0.5
233.94722	0.2
242.41647	0.2
247.01617	0.2
279.23334	13.6
280.23663	1.2
281.07092	0.2
281.83817	0.2
310.14691	0.3
402.24283	1.7
476.27924	67.4
477.28256	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	475.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14047	0.4
57.03332	1.5
59.01264	100.0
60.01598	1.4
61.98727	0.5
69.03354	0.5
69.76524	0.4
71.01266	6.9
71.57029	0.6
72.99210	1.7
73.02839	3.4
75.00767	3.3
83.01287	1.0
83.04919	0.7
85.02848	3.2
87.00771	0.8
89.02309	3.0
95.01286	0.7
95.04974	0.6
96.95930	2.0
97.06463	0.5
99.00796	1.3
99.04443	0.9
99.94408	0.4
100.41552	0.4
101.02349	4.9
103.00294	1.8
104.70842	0.4
109.02886	0.5
109.05676	0.4
109.06473	0.6
113.02371	3.8
115.15975	0.4
118.98007	1.0
119.03410	2.1
120.14664	0.4
123.08079	0.7
125.02382	0.8
125.09621	0.5
135.04344	0.4
137.09668	0.7
139.11157	0.6
147.04466	0.4
155.10753	0.9
159.02913	0.6
161.04478	2.4
164.80325	0.5
167.10744	1.6
175.02480	0.4
176.28696	0.4
179.05635	0.7
185.09668	0.4
201.12845	0.8
201.15080	0.5
221.11971	1.1
235.38260	0.5
253.18198	0.9
271.09875	0.5
284.03406	1.4
285.04163	0.6
299.02341	0.8
299.05768	1.3
314.14835	0.5
315.15280	0.9
323.22427	1.2
327.25488	6.3
328.26105	0.6
339.97705	0.5
341.23578	0.6
353.23672	0.8
355.25354	0.6
359.24521	1.9
371.24478	6.9
372.24759	1.0
373.26328	1.2
389.25543	2.4
415.23856	2.7
431.26511	6.9
447.06445	0.6
453.84100	0.5
475.26102	4.5
476.33060	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	475.256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04879	0.3
57.03318	0.5
59.01265	100.0
60.01596	0.9
61.98721	0.8
69.47112	0.3
69.74827	1.4
69.75248	0.5
71.01280	2.8
71.04910	0.3
72.99230	0.8
73.02840	0.9
75.00759	2.0
81.03342	0.3
82.89547	0.3
83.01326	0.3
83.04910	0.4
85.02859	1.0
87.00781	0.5
89.02346	1.5
95.01299	0.4
96.95947	0.5
97.06528	0.4
98.20568	0.3
101.02336	1.8
109.06490	0.4
110.76028	0.3
113.02389	1.2
118.98044	0.6
119.03416	0.6
122.82711	0.3
136.07654	0.7
151.13959	0.3
161.04591	0.7
184.75104	0.3
187.19440	0.3
191.03471	0.3
221.11839	0.3
279.13287	0.3
284.03442	1.0
285.04248	1.1
299.02283	0.5
299.05771	0.8
343.10117	0.3
350.03226	0.3
371.24335	0.5
373.26199	0.4
389.25549	0.3
415.23788	0.8
431.26923	0.7
475.26526	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	475.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12651	0.4
55.01759	0.5
57.03336	1.0
58.00475	1.3
59.01263	42.0
60.01596	0.6
60.99190	0.8
61.98710	0.6
65.00205	1.3
69.03336	2.0
71.01269	24.7
71.58762	0.8
72.01595	0.6
72.99194	3.3
73.02835	8.2
75.00758	3.1
81.03353	1.2
82.95296	0.4
83.01272	3.6
83.04901	0.5
85.02843	10.1
86.47732	0.4
87.00767	3.6
88.00289	1.2
88.98692	7.0
89.02335	14.9
91.01788	20.4
92.02126	0.8
95.01283	1.8
96.95911	1.9
97.02853	3.6
97.05965	0.4
99.00777	1.7
99.04440	0.8
99.60381	0.5
101.02346	16.7
101.03016	0.8
102.02688	0.5
103.03907	7.8
107.04932	9.5
109.02871	0.6
113.02351	4.1
119.03400	4.5
125.02366	11.0
127.03922	1.1
131.03430	1.2
135.00807	24.7
136.01134	0.9
139.22708	0.4
143.03435	1.7
145.04985	1.4
149.04466	1.1
151.23743	0.4
152.01009	0.6
161.02264	0.4
161.04485	2.1
163.06062	9.6
167.03445	100.0
168.03801	3.8
177.02057	0.5
205.07181	0.5
239.12901	0.6
247.08148	2.1
253.14348	0.6
269.10370	1.6
283.11884	1.5
285.04181	0.6
289.09244	0.5
295.15289	0.5
299.02017	0.4
307.10437	16.1
307.13965	1.0
308.10880	1.1
415.16110	8.8
415.22000	0.7
415.23965	0.8
416.16678	0.9
475.14828	4.8
475.22021	5.3
476.22696	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1319
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31615	1.3
59.01278	8.7
65.57174	1.3
69.30702	7.7
69.31129	6.4
71.01268	26.3
72.99185	3.5
75.00730	1.6
82.58234	1.5
87.00781	8.2
89.02341	7.8
98.20555	3.6
101.02348	4.0
104.22616	1.3
109.02897	1.4
109.03661	1.3
110.58730	1.5
111.00775	3.2
113.02341	3.0
115.00286	44.3
116.00697	1.4
120.86259	1.5
132.02983	2.3
132.94553	7.5
133.01360	100.0
133.04987	45.5
134.01666	2.1
134.05351	1.7
135.04434	2.7
143.04483	1.5
177.03416	1.9
189.05571	2.6
309.88354	1.5
341.10898	6.6
377.08481	5.2
415.14746	2.7
419.13528	1.4
424.48624	1.7
476.13596	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	475.0892
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
50.40191	0.6
55.01772	1.3
57.03331	2.0
59.01265	13.1
61.81143	0.6
65.83311	0.6
67.01811	0.8
68.99710	0.8
69.69215	3.8
69.69613	1.5
71.01270	12.0
72.99197	1.9
73.02832	1.7
75.00760	4.6
83.01289	1.7
84.02075	1.1
85.02842	24.0
86.03160	0.7
87.00760	3.7
89.02336	2.3
91.41933	0.6
93.79102	0.6
95.01284	6.2
95.90983	0.6
99.00777	7.5
101.02319	0.9
103.00280	3.7
113.02351	36.6
114.02687	1.4
115.00259	1.9
117.01859	3.3
129.01854	2.1
133.01349	0.7
134.03607	1.1
151.00323	1.7
157.01329	1.1
162.55554	0.6
175.02412	9.7
212.26208	0.6
227.03342	0.9
255.03084	0.9
256.03806	5.7
284.03320	95.2
285.03668	9.3
299.05667	100.0
300.05988	11.0
475.09039	8.2
476.09320	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	474.2636
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
51.67095	0.2
59.01260	0.6
62.96271	0.2
71.13685	0.2
71.14027	0.3
78.95792	100.0
96.96863	8.5
96.97504	0.3
98.08727	0.2
99.54572	0.2
103.07224	0.2
131.19380	0.2
140.01109	0.5
140.35097	0.2
150.98000	0.3
152.99524	18.5
153.99872	0.2
156.33157	0.2
171.00592	20.5
172.00938	0.2
214.04851	0.3
222.94568	0.2
245.28836	0.2
279.00549	0.2
400.22638	1.6
474.26349	57.8
475.26685	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	473.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	0.1
59.01268	100.0
60.01602	1.2
61.98737	0.3
69.03339	0.2
70.43970	0.4
71.01270	2.0
71.04934	0.1
72.99213	0.5
73.02859	0.4
75.00767	1.8
78.95847	0.1
83.01286	0.1
83.04911	0.2
85.02850	0.5
87.00792	0.2
89.02343	0.5
93.03413	0.2
95.01318	0.1
96.60046	0.1
97.02869	0.1
97.06474	0.2
99.00775	0.3
99.04471	0.1
101.02354	0.8
111.04528	0.1
113.02348	0.7
116.07092	1.1
117.07429	0.2
118.99782	0.2
119.03452	0.2
121.02921	0.1
123.08071	0.1
125.02338	0.1
130.88496	0.1
131.33278	0.1
133.02869	0.1
139.03882	0.1
149.05978	0.1
161.02466	0.2
161.04510	0.4
167.10735	0.1
179.05568	0.2
183.04510	0.1
186.22668	0.1
187.07631	0.2
197.05943	0.2
204.64803	0.1
209.15564	0.1
211.03978	0.2
211.07593	0.2
213.09232	0.2
215.07280	0.2
224.08492	0.1
225.09215	0.3
225.11282	0.1
226.06416	0.4
227.07199	0.2
227.10858	0.2
231.12425	0.2
237.05544	0.1
239.10851	0.3
240.07866	0.1
241.08745	0.3
241.12505	0.3
251.07619	0.1
251.10796	0.2
253.08792	0.2
255.10291	0.2
256.11105	0.2
265.08743	0.1
265.12399	0.2
266.09741	0.2
268.11380	0.1
269.08212	0.2
269.11942	0.6
270.12851	0.2
271.09714	0.1
273.14969	0.1
279.10196	0.1
283.09796	0.1
283.13556	0.2
284.10614	0.4
285.04294	0.2
285.15109	0.3
295.13672	0.2
297.15103	0.2
301.14606	0.2
311.13080	0.3
312.13812	0.2
313.14523	2.8
313.17914	0.1
314.14963	0.2
323.16620	0.2
327.16238	0.2
327.55722	0.1
329.16193	0.1
339.16205	0.2
341.13995	0.6
341.17520	0.2
353.14111	0.8
353.19724	0.3
357.17206	0.2
367.15750	0.3
371.15491	0.2
371.20932	1.2
372.21201	0.1
385.16693	0.7
386.16919	0.1
413.22018	0.6
414.22601	0.2
429.15689	0.2
429.24976	0.2
439.16772	0.1
473.25809	1.7
474.25476	0.2
474.31244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05185	0.2
57.60283	0.2
59.01265	100.0
60.01607	1.0
69.57097	0.8
69.57523	0.7
71.01271	2.2
72.99207	0.3
73.02837	1.0
75.00762	0.6
83.01264	0.4
85.02856	0.4
87.00800	0.4
89.02332	0.7
96.95904	1.1
99.00774	0.3
101.02328	1.3
110.88745	0.2
111.04491	0.2
113.02335	0.9
119.03471	0.3
121.02891	0.2
146.52032	0.2
161.04559	0.7
203.68840	0.2
211.07637	0.3
225.09221	0.2
227.10681	0.3
241.08813	0.6
241.12361	0.4
251.10802	0.2
254.06102	0.2
255.10411	0.5
255.14050	0.2
257.11877	0.2
266.09692	0.3
268.03867	0.4
269.08691	0.2
269.12024	0.7
270.12729	0.3
283.13565	0.3
284.10849	0.2
285.15155	0.4
295.13495	0.4
297.11734	0.2
297.14999	0.2
311.13049	0.4
313.14545	4.4
314.14993	0.5
341.14142	0.6
341.17792	0.3
385.16815	0.8
404.29861	0.2
413.22299	0.3
447.57111	0.2
473.24393	0.6
474.23975	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01595	1.2
62.73235	0.2
71.01271	1.5
71.06566	0.4
71.06924	0.3
72.99200	0.3
73.02853	0.3
75.00774	0.8
83.01292	0.2
85.02837	0.3
89.02366	0.3
99.00801	0.2
101.02371	0.7
113.02367	0.4
116.07122	0.4
141.31000	0.2
161.04523	0.3
187.34746	0.2
199.07773	0.2
211.07611	0.2
225.09157	0.2
227.10896	0.2
241.08713	0.3
253.08733	0.3
255.10359	0.2
256.11234	0.2
295.13412	0.2
301.14340	0.2
311.12949	0.2
313.14487	2.0
314.14978	0.3
325.24167	0.3
341.13977	0.3
353.14166	0.5
367.15662	0.5
371.16119	0.2
371.20743	1.3
385.16708	0.4
413.21667	0.8
473.26074	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70135	0.1
59.01263	100.0
60.01592	1.1
70.58496	0.3
70.58867	0.4
71.01270	1.8
73.02850	0.8
75.00782	0.3
79.06155	0.1
85.02869	0.2
87.00806	0.2
89.02364	0.5
98.19817	0.2
101.02351	1.5
113.02366	0.6
119.03412	0.2
129.63771	0.2
129.67380	0.2
161.04561	0.5
211.07614	0.2
233.48322	0.2
241.08778	0.2
241.12502	0.2
255.10577	0.3
267.10165	0.2
269.11899	0.5
295.13834	0.2
311.13062	0.2
313.14514	2.2
314.14862	0.2
339.16095	0.2
385.16766	0.3
413.21909	0.2
431.95151	0.2
473.24448	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	473.219
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77726	0.3
56.64026	0.3
59.01263	100.0
59.93144	0.2
60.01599	1.2
61.98722	0.5
69.29382	2.7
71.27924	0.3
75.00779	0.3
110.16114	0.3
156.01312	0.3
162.83913	0.6
187.07677	0.4
214.47928	0.3
215.07170	0.4
217.00352	0.8
231.06303	0.3
231.10136	0.4
279.44669	0.3
313.14706	0.4
473.25287	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21579	2.3
55.01769	3.5
56.19945	2.1
57.03345	3.7
59.01267	100.0
66.33958	2.1
69.03339	4.7
71.01276	61.2
72.99193	7.0
73.02827	7.5
75.00781	19.8
75.03240	2.4
81.03353	4.6
82.74831	2.2
83.01283	4.3
83.04916	13.7
85.02822	15.2
87.00760	2.4
93.03378	16.8
95.04984	2.5
97.06488	5.1
98.20564	5.6
99.00794	5.5
100.12711	2.6
101.02373	8.6
109.02821	4.3
110.03683	3.1
111.04440	27.7
113.02382	7.4
118.99805	3.6
121.02872	34.0
139.03951	40.3
142.70284	2.2
143.04826	2.6
146.03676	3.8
152.01122	2.4
155.04904	2.4
158.03691	6.4
159.04445	8.1
161.04553	4.3
161.06062	2.2
170.03506	2.8
171.04517	3.6
172.05251	11.2
173.05997	7.0
183.04501	5.5
185.06108	13.1
186.03175	6.6
186.06798	12.2
187.03984	9.7
187.07607	22.2
188.08406	2.8
189.05534	3.5
196.05241	3.5
197.06085	15.1
198.06662	3.6
199.04013	4.4
199.07578	12.1
200.04723	5.9
200.08382	10.2
201.05550	10.3
201.09164	12.0
202.06320	4.5
209.05957	3.9
210.06850	5.8
211.03922	5.8
211.07655	10.4
212.04816	7.4
212.08408	9.2
213.05659	13.0
213.09120	7.7
214.02718	7.9
214.06235	6.1
215.03470	4.8
215.07170	21.7
215.10742	8.6
216.07849	9.6
223.07657	6.4
224.08310	4.5
225.05588	9.1
225.09187	15.7
226.06340	5.0
226.09866	6.1
227.03409	4.3
227.07159	5.8
227.10797	20.4
228.04315	3.3
228.07841	3.7
228.11485	5.3
229.05063	6.3
229.08740	6.3
229.12367	8.7
229.59369	2.7
231.10115	3.7
232.57416	2.8
237.05623	3.9
237.09390	3.1
239.07031	4.3
239.10770	4.0
240.07869	5.9
240.11612	6.5
241.05103	8.1
241.08733	8.3
241.12352	10.6
242.09312	3.2
243.06654	15.2
243.10231	11.7
243.13852	6.1
244.07460	6.9
244.10950	6.2
245.08353	5.3
245.11772	8.6
253.08905	3.8
253.12419	7.3
255.06676	5.0
255.10283	10.4
255.13953	8.9
256.07175	3.2
256.11121	32.1
257.08310	4.3
257.11581	4.2
257.15579	9.3
259.09781	3.1
260.10400	3.2
267.10214	4.5
268.11038	3.8
269.08459	5.1
269.11838	7.1
269.15482	11.2
270.12610	4.1
271.13309	6.1
272.14249	4.6
273.14923	14.2
281.11816	4.9
283.09930	4.2
283.13409	9.0
284.10602	17.9
284.14185	8.1
285.14999	21.0
286.15405	4.4
287.09451	9.5
288.10049	14.4
295.13467	3.9
295.17001	3.0
297.14944	6.1
299.16602	5.0
300.10086	3.3
300.13632	4.6
301.14471	10.1
309.11249	3.3
310.12085	4.0
311.16501	3.5
312.10269	3.9
313.14603	73.6
313.18158	9.3
314.14899	8.9
321.14856	4.1
323.16580	14.6
325.14377	4.5
327.16107	4.7
329.17337	3.6
339.16077	16.8
341.14026	47.7
341.17706	5.2
342.14444	6.2
343.21432	2.8
353.14001	7.4
357.17090	23.1
358.17444	5.1
367.15540	20.0
385.16711	46.3
386.16647	5.1
429.16061	5.1
429.21375	31.5
430.21832	5.6
473.24380	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	473.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95361	2.4
53.27158	2.3
57.25573	2.2
59.01261	23.8
69.03335	7.9
70.33267	9.9
71.01268	18.1
72.99186	7.7
73.02818	9.4
75.00771	41.1
85.02844	4.2
86.66976	2.3
87.00761	6.7
93.44928	2.1
97.06477	12.7
99.00793	7.8
101.02319	4.4
101.22079	2.4
106.78494	2.0
113.02332	5.4
135.04391	3.0
143.04942	5.2
143.08524	2.3
145.02835	6.2
146.03613	4.7
147.04434	3.5
156.05728	7.3
157.06403	2.4
158.03632	15.0
158.07289	4.6
159.04482	22.7
159.08109	4.5
161.02402	5.6
167.04823	3.1
169.06552	3.5
170.03664	16.4
171.04433	11.2
171.08081	12.1
172.05229	37.6
173.02460	4.3
173.04680	3.0
173.06003	19.7
174.03171	5.1
174.06764	6.7
175.03937	5.0
175.07585	10.7
183.04460	4.2
184.05234	7.6
185.06030	18.2
185.09621	3.2
186.03209	27.2
186.06844	30.9
187.03999	21.1
187.07613	73.4
188.08177	10.8
189.05533	3.7
189.09193	3.7
195.04503	7.0
195.08124	2.6
196.05304	5.9
197.02431	3.3
197.06070	16.1
198.06834	4.1
199.04028	6.8
199.07639	33.0
200.04784	16.6
200.08377	17.9
201.05516	14.2
201.09184	60.6
202.06323	20.9
202.09480	5.0
203.07085	8.9
203.10765	4.5
204.07840	3.7
208.05365	4.2
209.06020	3.0
209.09581	3.3
210.06877	16.1
211.03964	8.2
211.07504	5.4
211.11142	2.3
212.04816	20.3
212.08351	4.6
213.05482	10.2
213.09193	5.9
214.02750	26.9
214.06328	23.4
215.03490	6.8
215.07143	100.0
215.10487	11.7
216.07765	22.6
217.08698	6.8
223.07758	15.6
224.08385	10.4
225.05562	6.9
225.09193	53.0
226.06252	4.2
226.09868	13.5
227.03400	3.7
227.07097	10.8
228.04221	3.2
228.07918	7.4
229.05014	3.3
229.08702	19.3
230.09253	5.9
231.10188	14.5
239.10701	3.3
240.04266	7.1
240.07875	3.3
241.08720	23.7
242.09470	4.5
243.06653	50.0
243.10266	34.2
244.07423	26.2
244.11043	29.9
245.08159	15.2
245.11389	3.0
255.06670	7.0
256.07382	10.7
257.08112	7.2
259.06378	2.6
259.09839	14.3
260.10504	9.7
269.08209	15.4
269.11703	2.9
270.08859	5.4
283.13498	2.7
287.09293	39.5
288.10001	43.0
289.10574	4.2
289.95895	2.5
297.14899	5.9
312.09955	6.5
313.14487	27.0
323.16660	3.2
331.01486	2.6
332.09137	5.4
339.15945	8.9
341.14014	66.1
342.14279	8.0
353.14066	2.9
357.17014	2.7
367.15576	8.6
371.15039	3.0
385.16669	17.1
386.17139	4.2
429.15701	9.9
473.25977	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	471.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65039	0.2
59.01261	100.0
60.01598	1.0
61.96144	0.2
71.01276	0.9
73.02840	1.0
75.00780	0.4
83.01292	0.5
85.02863	0.6
89.02342	0.4
101.02335	1.7
111.04429	0.3
113.02374	0.9
119.03429	0.2
131.03496	0.3
149.04510	0.2
161.04594	0.6
173.05969	0.4
209.11891	0.4
211.94574	0.2
218.64877	0.2
224.07745	0.2
232.62834	0.2
271.13776	0.2
383.15265	0.3
487.29990	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63929	4.2
59.01263	58.2
61.98712	9.8
69.03337	9.0
69.14702	4.2
70.43946	17.7
71.01269	75.2
72.99196	14.0
73.02837	13.3
75.00765	79.6
83.04885	5.5
85.02863	9.7
87.00741	8.6
93.03360	10.1
97.06496	9.3
99.00768	10.0
100.12597	4.5
101.02325	6.4
111.04441	18.0
113.02361	10.5
118.99802	20.0
121.02870	18.0
122.01531	3.7
139.03934	23.8
146.03680	4.7
148.04988	5.1
149.06024	8.8
156.32381	4.7
158.03638	11.1
158.07376	5.4
159.04494	11.7
169.06467	4.9
170.03622	7.5
171.04408	12.4
171.08116	10.3
172.05237	19.1
173.02493	6.5
173.06017	18.7
174.06804	5.9
175.07608	9.1
179.37221	4.8
183.04617	8.2
184.05260	4.5
185.06059	16.0
186.03244	15.0
186.06845	26.3
187.03920	15.1
187.07597	50.2
188.08246	5.7
196.05287	8.1
197.06070	23.8
198.06783	9.2
199.03975	7.2
199.07607	27.7
200.04747	7.5
200.08388	16.2
201.05582	12.4
201.09195	16.8
202.06325	11.6
203.06941	4.6
203.10721	10.2
209.06151	4.8
210.06866	11.8
211.03964	11.6
211.07597	13.6
212.04733	9.3
212.08459	6.4
213.05524	18.3
213.09151	12.9
214.02686	18.6
214.06335	17.3
215.03508	5.6
215.07150	54.9
215.10704	5.3
216.07709	12.2
223.07625	11.6
224.08487	10.2
225.05583	10.8
225.09195	41.8
226.06316	7.9
226.09978	11.3
227.03555	5.4
227.07191	10.5
227.10736	22.6
228.07822	12.5
228.11494	6.5
229.05008	8.2
229.08705	18.6
229.12405	11.7
231.06612	4.0
231.10303	8.6
237.05608	4.8
239.07117	9.5
239.10709	10.2
240.08026	5.6
240.11604	8.5
241.05043	9.2
241.08717	13.5
241.12346	15.4
242.09445	9.0
242.13014	4.3
243.06619	39.6
243.10269	22.3
244.07373	10.4
244.11105	10.0
245.08130	5.0
246.04614	3.9
251.07181	6.3
251.10852	9.1
252.07993	5.9
253.08705	9.0
253.12308	5.4
254.09689	5.2
255.06691	5.5
255.10321	15.3
255.13943	16.5
256.07559	6.1
256.11053	24.8
257.08203	10.7
257.11649	5.3
257.15619	9.4
259.09753	15.1
265.08820	5.9
265.12347	6.9
268.11072	5.5
269.08215	11.8
269.11865	13.0
269.15558	10.3
270.12405	6.1
273.14926	5.9
280.11224	4.7
281.11716	5.7
281.15277	5.4
283.13327	14.8
284.10608	20.2
284.13852	8.2
285.14966	26.4
287.09460	25.3
288.09888	24.3
295.09445	5.6
297.15015	10.5
301.14484	12.1
309.15054	8.7
311.13107	9.3
311.16449	6.0
312.10059	10.0
313.14569	100.0
313.18094	3.6
314.14954	11.4
323.16525	12.8
324.09967	5.1
325.14481	10.4
327.15994	11.3
339.16205	22.3
341.13931	75.7
341.17487	5.6
342.14352	9.1
353.14005	50.4
354.14578	6.4
357.17166	22.3
367.15500	27.1
368.15845	5.0
371.14923	7.6
385.12402	5.9
385.16663	40.3
411.14645	8.2
429.15686	12.3
473.25912	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	471.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11137	0.3
57.03328	0.2
58.40746	0.2
59.01264	100.0
59.69066	0.2
59.84303	0.2
60.01606	1.8
61.98707	0.3
67.34190	0.2
70.93068	0.6
70.93426	0.3
71.01270	4.6
72.01586	0.2
72.99226	0.3
73.02833	10.4
75.00769	0.7
83.01276	3.1
85.02855	0.7
89.02351	1.0
97.57471	0.2
98.19868	0.3
101.02345	9.4
101.03017	0.5
109.02918	0.3
113.02386	1.9
119.03465	0.7
125.02320	0.3
131.03468	0.5
143.03398	0.6
149.04515	0.9
161.04501	2.5
165.12857	0.8
194.63837	0.3
203.05688	0.3
207.13905	3.0
219.13991	0.6
221.06755	0.9
221.15546	0.7
231.13786	0.4
249.15053	0.9
334.30096	0.2
471.22635	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84710	0.2
53.83125	0.2
55.01772	2.4
56.99723	0.2
57.03344	2.0
58.00481	0.8
59.01265	53.5
60.01601	0.8
61.98720	0.9
69.03336	0.8
69.29646	1.9
69.30048	0.5
71.01270	28.7
71.35703	0.3
72.01599	0.4
72.99203	1.7
73.02837	15.8
75.00767	1.8
81.03333	0.4
83.01276	10.8
83.04913	0.3
85.02843	17.8
85.99995	1.0
86.03186	0.3
87.00774	1.6
87.04419	0.3
89.02342	4.0
95.01279	2.4
97.02827	1.2
99.00782	6.0
99.08055	0.4
101.02348	37.0
101.09631	0.4
102.02699	0.8
103.03926	1.3
111.00791	1.0
113.02356	13.9
114.02683	0.4
115.91991	0.3
116.92762	0.7
119.03408	0.9
125.02364	2.1
127.03955	0.3
129.01903	1.2
131.03427	0.3
135.63840	0.2
136.93904	0.2
141.01915	0.3
143.03439	1.1
145.04976	0.7
148.03990	0.6
159.02986	2.6
161.04507	10.1
162.04739	0.4
163.06052	1.0
171.10207	0.4
174.04341	0.3
175.04030	0.2
198.77896	0.2
203.10922	0.3
205.03474	0.3
211.04135	0.3
229.07152	0.8
247.08090	0.4
263.15039	64.1
264.15375	4.9
268.03824	6.1
269.04514	2.5
270.04663	0.4
281.04630	1.0
307.04932	1.0
307.14008	0.5
308.05658	1.2
370.17758	0.3
409.20865	100.0
410.21204	11.7
431.09814	4.5
432.10068	0.6
433.10422	0.7
453.19534	0.4
470.11133	2.0
470.17007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2302
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12683	0.6
55.01764	2.3
57.03336	2.1
59.01265	47.2
59.74570	0.7
60.04748	0.7
61.98717	5.6
71.01268	30.3
71.56702	1.2
72.01620	0.9
72.99189	3.0
73.02833	14.7
73.85522	0.7
75.00766	7.6
77.13570	0.7
78.95779	1.2
82.08961	0.7
83.01273	9.5
83.02396	0.8
85.02837	14.6
85.99990	1.0
87.00763	2.4
89.02338	6.0
95.01300	1.5
96.95923	1.4
96.96905	1.0
97.02856	1.1
98.02385	1.1
99.00774	6.0
101.02344	32.1
102.02710	1.0
103.03931	1.1
110.06049	0.8
113.02356	14.0
117.01875	0.9
117.39146	0.6
119.03411	2.0
125.02343	1.9
129.01892	1.2
138.05556	1.4
143.03436	1.8
159.02950	2.2
161.04506	12.2
162.05586	0.7
163.06117	0.9
209.11633	0.8
244.08159	0.7
263.15033	51.5
264.15378	3.7
265.14371	0.9
308.22366	0.8
409.20847	100.0
410.21191	11.4
469.22150	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	469.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37279	0.5
55.01774	3.4
57.03329	2.8
58.00467	1.0
59.01262	55.5
60.01612	0.9
60.45576	0.4
61.64078	0.4
61.95358	0.5
61.98726	0.5
63.98807	0.6
65.36552	0.5
69.03328	0.6
69.28782	5.2
71.01266	29.4
72.99196	1.5
73.02832	17.4
75.00740	1.2
75.59910	0.5
81.03350	0.5
81.04766	0.5
83.01269	11.6
85.02838	18.9
85.99998	0.8
86.03166	0.8
87.00767	1.4
89.02348	3.7
95.01288	1.9
97.02833	0.8
98.19751	0.9
99.00772	5.5
101.02341	41.6
102.02672	1.3
103.03910	1.4
108.34830	0.5
111.00818	1.0
113.02349	14.2
116.92705	0.8
119.03401	0.6
125.02351	1.9
129.01874	0.8
143.03421	1.9
145.05061	0.9
159.02882	2.5
161.04483	11.5
163.06116	0.9
203.10611	0.5
205.03517	0.8
229.07294	0.6
247.08209	0.6
263.15027	65.2
264.15363	5.4
268.03815	4.1
269.04529	2.1
273.89618	0.5
276.45541	0.5
289.14749	0.5
303.31668	0.5
308.05811	1.2
408.50296	0.5
409.20840	100.0
410.15509	0.7
410.21179	14.2
431.09848	3.8
481.74295	0.6
490.44360	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.8
57.03325	1.4
57.85328	0.5
59.01266	46.2
61.98706	2.2
69.38963	0.8
69.39363	3.9
71.01270	27.9
71.60034	0.4
72.01614	0.6
72.99193	1.1
73.02446	0.8
73.02837	13.2
73.67533	0.5
75.00774	2.7
78.19337	0.4
83.01273	6.9
85.02348	0.9
85.02844	13.3
87.00747	2.0
89.02330	4.4
95.01270	1.9
97.02870	1.2
98.19707	0.7
99.00774	4.5
101.02346	33.7
102.02681	0.9
103.03898	1.3
113.02353	13.0
117.01850	0.7
119.03409	1.1
125.02341	1.2
129.01860	1.0
143.03416	1.6
145.13350	0.5
145.77350	0.6
159.02951	3.0
161.04503	14.7
163.06059	0.5
191.24474	0.5
225.17505	0.5
229.07214	0.6
241.47806	0.6
261.13477	46.5
262.13794	3.1
353.01453	0.5
367.19510	0.7
407.19263	100.0
408.19577	11.9
451.17999	0.6
467.21558	0.7
468.17426	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85062	0.2
59.01265	4.1
59.18784	0.2
60.01602	0.4
61.01698	0.5
61.98717	100.0
62.35086	0.2
63.99152	0.2
66.87324	0.2
68.72554	0.3
71.01267	1.5
71.03673	0.7
72.01623	0.3
81.74186	0.3
85.02849	0.4
89.02332	1.7
90.02686	0.5
91.02795	0.3
96.95914	5.2
98.95513	0.7
101.02345	0.7
113.02393	0.7
119.03403	0.4
180.05867	0.3
181.06090	0.6
195.06543	0.2
220.65303	0.2
243.09766	0.2
258.04376	0.3
407.22174	0.3
408.22687	0.9
468.16367	3.3
469.16364	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	467.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40999	0.3
53.94177	0.3
55.91499	0.3
59.01262	19.0
60.01589	1.8
60.76107	0.3
61.01677	1.3
61.98713	10.3
62.02826	0.3
70.91808	0.3
70.92155	0.6
71.01270	3.9
72.01599	0.4
72.99180	0.6
73.02843	0.4
75.00755	0.6
79.95630	1.5
85.02862	0.6
86.24406	0.3
87.00744	0.5
89.02335	5.0
89.02840	0.4
90.02667	0.5
96.95909	100.0
97.95859	0.3
101.02335	2.6
113.02361	1.8
114.02706	0.5
119.03384	2.0
131.86078	0.3
138.01938	0.4
143.03438	0.5
161.04492	0.6
167.10739	0.4
173.88872	0.3
179.05563	2.4
184.72504	0.3
194.68680	0.3
271.94257	0.3
287.09753	0.9
392.79486	0.4
406.21655	0.9
407.22623	4.2
431.52606	0.3
467.15991	61.0
468.16333	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	467.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	3.4
57.03339	3.4
58.00476	2.3
59.01262	100.0
60.01596	2.1
61.24696	1.3
61.98715	6.7
65.21354	1.1
69.47628	11.9
71.01264	54.6
72.99200	4.0
73.02833	26.5
75.00758	9.5
76.69613	1.2
80.67162	1.2
81.16737	1.1
83.01279	14.3
84.42968	1.2
85.02838	24.9
87.00793	4.2
89.02335	19.6
95.01277	4.9
97.02861	1.8
99.00771	6.2
101.02345	67.0
102.02747	1.6
103.03919	8.0
111.00795	2.2
113.02344	20.2
115.03893	3.1
119.03420	8.6
125.02360	4.6
125.28946	1.5
129.01883	2.0
131.03418	3.0
134.65810	1.6
143.03439	7.2
145.05009	5.2
159.02965	2.9
161.02452	1.4
161.04491	12.1
163.06076	43.1
171.10219	14.7
205.07126	16.7
206.07446	1.5
209.11908	2.4
253.09456	2.0
261.13480	49.2
262.13947	3.0
265.09384	4.8
321.19254	5.6
394.50711	1.5
407.19263	92.6
408.19550	13.3
449.18964	1.6
467.19681	1.9
467.29541	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	465.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.5
55.73969	0.4
57.03335	1.4
59.01263	62.2
60.01605	0.5
61.81126	0.4
61.98715	1.1
69.28884	3.3
69.29306	1.3
69.37691	0.4
71.01270	14.8
72.99194	1.5
73.02837	5.9
75.00759	12.2
79.62859	0.4
83.01272	4.4
85.02836	8.8
85.99988	0.6
87.00787	1.7
88.98704	1.8
89.02354	3.8
91.02425	0.4
95.01296	1.3
97.02853	0.5
98.75446	0.4
99.00790	2.7
101.02341	13.9
103.03875	0.4
113.02354	5.9
117.01860	0.8
118.98003	0.4
119.03416	1.3
125.02366	0.9
150.10051	0.5
161.04497	2.3
201.09270	0.4
243.19623	1.3
285.20517	0.6
303.13513	0.7
303.21811	0.7
304.04047	0.5
311.13062	0.6
329.14017	0.8
345.10141	0.8
370.30566	0.5
371.15146	0.6
405.25311	3.4
406.25049	0.4
447.16949	0.6
447.26181	3.7
465.27103	100.0
466.20886	0.5
466.27487	13.6
481.04480	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73640	0.6
57.03337	2.6
58.00482	1.5
59.01265	100.0
60.01601	1.7
61.98722	4.1
67.26461	0.6
67.35597	0.6
71.01271	26.5
71.32796	0.8
71.33134	1.0
72.99190	1.0
73.02839	4.1
74.87450	0.6
75.00761	0.7
75.75677	0.6
83.01300	1.3
85.02843	6.2
87.00793	1.4
89.02341	18.3
95.01296	1.6
97.02855	1.2
98.03653	1.3
99.00784	2.1
99.04445	1.5
101.02348	14.9
113.02364	11.8
119.03429	7.4
123.08081	1.3
125.09704	1.3
131.03493	0.7
137.09702	2.2
138.06825	1.6
141.09131	5.0
143.03461	2.4
146.35541	0.6
151.11192	1.1
153.09178	3.6
159.02959	1.3
161.04518	7.5
163.11272	1.2
165.09167	5.9
171.72066	0.7
176.22105	0.6
179.05600	6.2
181.12334	1.3
189.12926	1.2
195.13876	0.8
205.12370	0.9
207.13916	4.2
223.13487	1.1
225.14989	6.3
241.14531	2.9
243.16052	44.2
244.16403	3.1
405.21378	70.7
406.21777	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	465.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.6
57.48909	0.4
57.90001	0.4
58.00477	0.9
59.01264	100.0
60.01603	1.1
61.98716	0.9
63.70942	0.4
71.01269	13.7
71.35127	0.6
71.35474	0.8
72.99177	1.0
73.02843	0.7
76.70805	0.4
81.57927	0.4
83.01286	0.7
85.02841	2.7
87.00795	0.8
89.02335	16.8
95.01279	1.0
101.02348	5.9
102.40260	0.5
113.02351	4.8
113.90782	0.4
119.03426	7.0
131.03474	0.8
143.03400	1.9
145.14926	0.4
149.04546	0.8
161.04485	3.0
176.65921	0.4
179.05566	10.6
194.07695	0.4
207.72092	0.4
222.75250	0.5
284.81696	0.5
405.21350	10.7
405.26434	0.7
406.21863	1.2
447.96262	0.5
465.23563	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	465.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	0.7
57.03336	1.6
58.00484	1.0
59.01263	100.0
60.01608	1.1
69.03343	0.6
69.87447	2.5
71.01263	23.1
71.04932	0.6
72.99204	1.2
73.02837	3.3
80.91672	0.5
83.01286	1.4
85.02843	6.5
87.00788	1.0
89.02332	17.5
95.01305	1.2
97.02856	1.2
97.54276	0.5
98.03665	0.7
98.20341	0.9
99.00803	0.9
99.04459	1.4
101.02347	12.1
113.02354	8.3
113.31178	0.4
119.03416	5.5
120.98646	0.4
123.08063	2.2
125.09650	0.9
137.09688	1.4
138.06812	0.8
141.09140	3.6
143.03447	1.4
151.11243	0.6
153.09131	3.3
161.04469	3.4
163.11287	0.7
165.09161	3.4
179.05527	3.4
181.12325	0.5
189.12755	0.7
195.13939	1.1
207.13928	2.1
223.13423	0.8
225.14955	3.5
241.14540	1.4
243.16031	17.6
244.16489	1.9
405.21338	21.7
406.21732	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	463.2478
Annotation	schweinfurthin G
Peak:m/z	Relative Intensity
50.80814	1.6
57.03332	1.7
59.01259	24.5
61.98705	5.6
71.01263	2.8
71.26557	3.7
78.95793	28.2
83.94170	1.6
96.95913	1.7
97.06489	2.6
102.67386	1.8
110.98443	19.6
113.02357	2.1
113.09618	3.0
125.09664	3.9
135.96315	1.7
149.00032	9.5
152.99553	2.2
167.01102	18.2
171.10223	2.9
179.14363	2.6
180.86214	1.8
185.02199	5.8
194.98822	24.3
195.13866	19.7
209.11850	13.7
217.00267	13.9
269.69510	1.7
277.21841	19.3
278.22260	2.8
285.04041	2.5
286.04385	2.0
295.22830	100.0
296.23178	9.0
419.24658	2.6
435.23465	2.0
445.22440	5.6
463.11487	18.4
463.24478	78.4
464.24646	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	465.235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	1.7
57.03328	1.8
58.00500	1.3
58.02721	1.3
59.01262	100.0
60.01615	1.5
61.98723	7.9
71.01263	48.6
71.41718	1.6
71.42049	1.5
72.99183	3.0
73.02827	10.9
83.01266	3.9
85.02837	14.1
87.00778	2.3
89.02335	28.1
95.01268	3.3
97.02872	2.6
99.00771	4.5
99.04418	1.7
99.26190	1.3
101.02344	31.9
113.02348	22.4
119.03411	12.1
121.53616	1.2
123.08088	1.8
127.07508	1.2
131.03351	1.7
141.09109	3.5
143.03407	3.0
143.04474	1.4
143.98415	1.5
144.30139	1.3
153.09132	2.3
159.02904	3.4
161.04492	30.7
164.74530	1.3
165.09178	2.2
165.29401	1.3
179.05551	6.5
207.13870	1.5
241.14392	4.7
243.16026	41.6
244.16370	1.9
285.12619	2.5
338.26913	1.4
405.21390	35.4
406.21634	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	463.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
55.29123	0.3
57.03317	0.8
59.01264	4.0
61.98714	0.5
62.35648	0.2
71.01255	0.3
71.23915	0.5
73.02837	0.3
78.95794	8.8
83.04905	0.4
85.37601	0.3
87.00749	0.6
97.06469	0.5
104.97386	0.3
106.05315	0.2
110.98446	6.1
113.09645	2.6
116.92701	0.3
125.09621	0.5
150.24223	0.3
152.99536	0.7
155.20795	0.3
167.01111	3.3
171.10204	0.6
177.12802	0.4
179.14374	1.0
181.12282	0.4
185.02161	5.8
195.13882	18.4
196.14258	1.3
197.11798	0.5
197.55847	0.2
209.11835	1.3
217.00272	1.5
233.22800	0.4
235.13306	0.3
251.23912	0.5
277.21799	16.5
278.22095	1.9
295.22842	100.0
296.23203	10.7
389.23355	0.3
463.24741	27.8
464.25211	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	0.2
57.03325	0.2
58.00479	0.2
59.01264	6.1
59.52195	0.2
60.47429	0.2
60.98721	0.2
61.98709	0.3
67.34039	0.1
67.77253	0.1
69.03307	0.2
69.24969	0.8
69.25400	0.8
71.00899	0.3
71.01267	4.0
72.97433	0.2
72.99186	0.3
73.02837	1.0
73.61660	0.2
75.00759	0.8
75.51279	0.2
80.02573	0.9
81.03356	1.3
82.14335	0.2
83.01259	0.7
83.04914	4.7
84.02064	1.1
84.05157	0.2
84.71674	0.2
85.02383	0.2
85.02837	1.2
86.19812	0.2
87.00769	0.9
89.02331	2.9
95.01281	0.4
95.04907	0.5
97.06470	0.4
99.00807	0.2
99.04425	0.2
101.02344	3.7
107.01276	0.3
109.02885	0.2
109.06518	0.2
111.00784	0.2
113.02359	1.7
114.02656	0.2
119.03423	1.0
125.02343	0.2
125.05984	0.5
131.07036	0.2
133.02873	0.5
135.08096	0.6
139.00262	0.5
143.03424	0.3
147.11693	0.2
149.02382	0.3
151.00320	0.9
153.01860	0.2
161.04497	1.3
163.11234	3.2
164.11581	0.3
165.01775	0.2
165.11560	0.2
165.12813	2.5
178.99788	0.2
179.05592	0.7
181.01401	0.3
181.12274	0.6
183.13838	0.5
191.10756	0.7
193.01486	0.2
199.13263	0.3
207.10194	0.2
208.00023	0.2
209.11813	100.0
210.12157	6.5
225.11313	0.2
227.12892	19.5
228.13286	1.4
229.14488	0.2
235.08252	0.5
245.04599	0.2
253.09320	14.0
253.29193	0.2
254.09689	0.7
255.02823	0.2
257.13016	0.2
268.04141	0.2
283.02502	0.4
283.19028	0.2
285.04074	1.4
286.04434	1.2
287.04697	2.5
300.02734	1.2
301.03546	4.1
301.20285	0.4
302.04007	0.4
377.25632	0.2
419.26535	0.2
463.08759	2.7
463.25723	3.9
464.09348	0.2
464.29007	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	463.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15388	1.6
52.34218	1.4
55.01778	2.6
57.03333	9.7
58.00480	4.1
59.01263	100.0
65.35461	1.3
69.56798	5.8
69.57240	5.3
71.01270	67.9
72.99196	11.1
73.02828	14.3
75.00754	18.4
83.01279	4.2
85.02839	17.9
87.00758	12.6
89.02338	61.6
90.02705	1.8
95.01288	3.8
98.03628	3.1
99.00770	3.4
99.04411	3.1
101.02348	45.1
102.02696	2.5
109.06487	2.9
111.04366	1.7
113.02364	32.2
115.03944	1.8
119.03418	26.3
123.08055	2.6
131.03452	2.5
141.09161	4.9
143.03456	11.1
147.08115	4.8
149.04497	3.6
150.06818	3.4
159.02956	6.0
161.04544	69.7
162.05498	6.4
163.11188	4.6
164.03500	2.9
165.09148	24.2
166.09457	1.7
179.05569	31.0
189.09158	1.7
190.09868	1.6
192.03091	2.0
193.03802	8.8
194.03937	1.4
197.11743	1.4
205.12291	16.2
206.12785	2.3
209.11819	21.3
221.11830	2.6
222.12614	12.5
223.13408	35.6
223.15442	1.6
224.13596	2.1
227.13004	3.6
241.14490	10.3
247.13449	2.6
253.09369	2.9
283.10950	54.4
284.11206	3.1
373.14172	9.2
385.14224	2.0
385.18704	16.9
403.14917	3.5
403.19821	37.0
404.20325	5.0
463.17258	11.1
463.23047	1.7
464.17209	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	463.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.27951	0.4
59.01262	100.0
60.01603	1.8
61.98726	0.5
62.79828	0.4
64.69441	0.4
69.53233	2.5
69.53642	0.7
71.01266	8.2
71.01668	0.4
72.99205	0.8
73.02825	0.7
83.01218	0.5
83.27385	0.4
85.02847	1.4
87.00768	1.0
89.02332	11.9
98.20575	0.5
101.02342	6.6
113.02348	4.0
119.03400	6.8
131.03450	0.9
137.09659	0.5
143.03439	1.9
161.04492	3.6
179.05586	3.8
205.12297	3.1
223.13193	0.5
241.14500	0.6
317.78769	0.4
354.37000	0.4
394.89581	0.5
403.19772	16.5
404.20187	2.1
463.22101	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.5
56.13605	0.8
57.03053	1.2
57.03334	21.8
58.00471	3.6
59.01261	100.0
60.01593	0.8
60.59967	0.8
66.25194	0.9
67.11977	0.9
69.03337	2.0
69.22758	9.1
69.23167	2.0
71.01266	86.2
71.04892	1.9
72.01579	1.6
72.21510	0.8
72.99193	3.1
73.02834	18.3
74.34181	0.9
75.00759	49.2
83.01281	5.8
85.02838	23.7
85.06477	1.2
87.00780	7.7
89.02332	55.4
90.02667	1.3
95.01272	6.0
95.04958	1.3
97.02847	3.3
98.03623	9.8
98.20574	1.8
99.00770	7.3
99.03928	0.9
99.04421	12.5
101.02344	49.5
102.02672	1.7
106.13786	1.1
109.06493	7.4
113.02348	37.5
113.05987	1.9
119.03412	24.4
121.74738	1.1
123.08080	9.4
125.02341	1.8
125.06005	1.3
127.07545	6.4
129.01857	1.2
131.03404	4.1
131.48247	0.9
136.05180	3.1
137.06036	1.2
137.09669	2.0
141.09138	25.3
143.03418	10.7
146.79431	0.9
148.08867	0.9
149.04453	3.1
150.06789	13.1
151.07324	1.2
153.09145	1.3
159.02936	7.8
161.04494	97.6
162.04820	4.1
163.11230	5.2
165.09155	58.5
165.44377	0.9
166.09554	2.9
175.07605	2.3
179.05559	24.7
180.05934	1.2
187.11214	4.8
189.09106	1.5
190.09932	3.8
194.09453	1.0
197.11835	2.4
205.03487	2.0
205.12317	36.9
206.12631	1.4
209.11823	13.4
223.13390	84.2
224.13733	6.6
227.12814	2.7
241.14456	17.3
242.14818	1.4
253.09271	3.1
301.03482	2.4
301.12857	1.1
329.15320	2.5
373.14059	7.0
374.14264	1.0
385.14331	1.3
385.18762	6.7
403.14844	2.1
403.19806	27.1
404.20105	3.2
431.61661	1.0
459.47235	1.1
463.17276	2.9
463.22757	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	0.3
58.00487	0.3
59.01263	7.1
65.59935	0.2
69.35117	2.6
71.01269	3.9
71.04893	0.3
73.02849	0.5
75.00759	0.6
78.05812	0.2
80.02565	1.0
81.03355	1.1
83.01277	0.8
83.04913	4.6
84.02059	1.1
85.02839	1.1
87.00759	0.5
89.02337	3.7
95.01325	0.2
95.04904	0.5
101.02344	3.7
113.02374	1.8
119.03439	0.9
125.06004	0.5
135.08063	0.5
157.04857	0.3
161.04530	1.2
163.11240	4.1
165.12790	2.3
166.13177	0.3
179.05652	0.2
181.12326	0.8
184.94173	0.3
191.10745	1.1
209.11823	100.0
210.12152	7.4
227.12906	13.6
228.13231	1.1
253.09338	11.8
254.09663	0.7
285.04053	0.6
286.04507	0.3
287.04715	0.5
400.55930	0.3
424.89191	0.3
463.07800	0.3
463.25745	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	463.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22103	0.1
55.01757	0.2
57.03349	0.2
58.00481	0.3
59.01265	4.6
61.98717	0.1
65.00216	0.2
70.51017	0.4
70.51362	0.2
71.01271	2.8
71.04887	0.2
72.99201	0.3
73.02826	0.5
75.00755	0.8
77.01953	0.1
80.02559	1.3
81.03355	1.2
83.00828	0.1
83.01268	0.7
83.04915	4.8
84.02050	0.9
85.02834	0.9
87.00765	0.4
88.07553	0.1
89.02340	3.0
91.03875	0.2
93.03378	0.2
95.01290	0.4
95.04916	0.5
97.02851	0.2
97.06495	0.2
101.02342	3.1
107.01318	0.1
109.06512	0.3
111.08087	0.2
112.94135	0.1
113.02362	1.5
119.03396	0.8
121.02898	0.1
125.02363	0.3
125.06000	0.5
125.09644	0.1
131.03429	0.2
133.02879	0.2
133.04988	0.2
134.99054	0.1
135.08090	0.7
143.03488	0.3
147.11710	0.2
149.02325	0.2
151.00314	0.5
161.02440	0.1
161.04497	1.3
163.11234	3.9
164.11580	0.3
165.01942	0.2
165.12810	2.6
165.92287	0.1
166.13034	0.2
178.70088	0.1
179.05557	0.5
181.12329	0.4
191.10759	1.1
199.13322	0.2
204.06607	0.1
209.11823	100.0
210.12163	7.0
213.05881	0.1
227.12898	17.2
228.13243	1.4
229.04895	0.2
235.08322	0.6
253.09328	12.7
254.09657	0.8
256.03748	0.3
257.04727	0.2
271.02597	0.1
272.03021	0.2
285.04044	0.3
286.04495	0.4
287.04648	0.6
300.02814	1.3
301.03561	2.8
302.04028	0.3
329.14966	0.2
330.45447	0.1
445.20599	0.2
463.08899	2.4
463.14285	0.1
463.15622	0.2
463.22095	0.4
464.09317	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0892
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
59.01264	6.1
59.25480	0.4
60.84317	0.4
63.02272	0.8
65.00211	4.0
71.01256	1.5
73.02823	0.5
75.00768	4.2
78.68015	0.4
83.01262	2.4
85.02837	0.5
89.02328	1.0
91.01777	0.5
91.92691	0.4
93.03353	0.5
95.01273	0.6
98.19757	0.8
101.02338	1.1
107.01298	4.3
108.02086	0.8
109.02867	1.4
111.00792	1.4
113.02322	0.7
121.02876	2.5
123.00802	0.9
124.01596	0.5
125.02355	2.7
131.01221	0.5
133.02878	5.3
133.40007	0.4
134.03648	0.4
135.00781	0.6
135.04445	1.7
136.01607	0.5
136.98740	4.2
137.02359	2.3
139.00288	1.2
143.03271	0.6
143.05078	0.5
145.02831	0.4
147.00778	0.6
147.04478	1.1
148.01602	0.9
149.02365	6.5
150.02837	0.5
151.00298	13.1
152.00777	0.7
159.04482	0.4
161.02379	0.5
161.04475	0.7
163.00322	1.4
164.01059	1.0
164.98212	0.6
165.01898	7.2
165.99052	0.8
166.02145	0.6
166.99745	0.7
171.04410	1.1
172.05069	0.5
173.02454	0.7
174.03127	0.7
175.00307	1.6
175.03964	1.1
177.01918	0.7
178.27005	0.5
183.04433	1.1
185.05942	0.5
187.03954	1.2
188.04741	0.4
189.01903	0.8
189.05486	0.7
190.02609	0.5
190.99841	0.6
191.03470	1.7
192.00629	1.2
193.01385	2.6
199.03922	2.1
200.04712	1.2
201.01927	2.0
201.05463	1.1
202.02637	0.8
203.03401	0.6
209.11815	2.8
211.04048	1.7
213.01962	0.6
213.05486	0.7
214.02536	0.8
215.03397	2.6
216.04231	1.5
220.05965	0.4
226.02719	0.5
227.03481	3.2
227.12819	2.4
228.04219	1.4
229.05022	2.3
231.02913	0.5
233.04575	1.1
239.03462	1.4
243.02979	1.5
244.03525	0.5
245.04434	0.6
255.03055	5.0
256.03796	4.2
257.04556	5.6
258.01740	0.4
259.02631	0.6
271.02487	2.6
272.03159	3.6
273.03915	1.8
283.02515	3.3
284.03146	0.8
285.03973	1.4
286.04343	0.4
287.04776	0.7
299.01971	1.8
299.05411	0.4
300.02780	37.0
301.03568	100.0
302.03970	9.3
313.03494	0.8
329.15079	3.3
343.04443	1.5
364.98770	0.5
419.10056	2.3
419.18741	0.5
463.08890	73.5
464.03088	0.8
464.09247	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	461.3495
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01604	1.0
61.98706	0.6
67.52952	0.6
71.01291	0.5
71.56734	0.8
78.95786	0.7
85.02876	0.6
90.92537	0.6
91.03904	0.6
107.82767	0.5
122.15340	0.5
133.02930	0.9
152.99570	0.7
160.51987	0.6
267.51694	0.7
279.23389	1.8
285.04099	18.6
285.07196	1.1
286.04559	2.0
288.94574	0.6
327.29318	1.4
357.06494	0.8
461.07568	2.0
461.32413	2.5
485.19232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2399
Annotation	Ligurobustoside A
Peak:m/z	Relative Intensity
50.43460	0.2
51.05708	0.2
55.01769	5.0
56.99706	0.2
57.03336	5.3
58.00480	3.0
58.11893	0.2
58.63745	0.2
59.01262	63.7
60.01595	0.8
61.98729	0.3
65.00210	0.2
66.65802	0.2
67.01774	0.4
68.99715	0.4
69.03342	3.6
69.33727	0.4
69.34123	1.8
71.01267	100.0
71.04903	0.2
72.01604	1.6
72.01963	0.3
72.99194	4.9
73.02833	35.2
74.03174	0.6
75.00760	4.0
79.01793	0.3
81.03350	1.8
83.01273	20.4
83.04893	0.5
84.01622	0.2
84.02065	0.6
85.02839	43.7
85.99989	0.9
86.03157	0.9
87.00242	0.2
87.00770	5.6
87.04414	1.2
89.02335	25.2
90.02677	0.5
95.01279	7.3
96.01611	0.2
97.02855	4.8
99.00779	13.7
99.04427	0.6
100.01023	0.2
101.02341	72.6
102.02675	1.5
103.03911	10.1
104.04285	0.3
107.01287	0.3
109.02842	0.3
111.00786	0.5
111.04448	0.3
113.02354	33.2
114.02691	0.9
115.00240	0.2
115.03924	2.3
119.03411	9.9
121.02849	0.3
125.02366	9.2
126.02740	0.3
127.03936	1.1
129.01860	1.4
131.03412	2.5
133.02856	1.0
141.01883	0.2
143.03430	8.0
143.19572	0.2
145.04994	2.4
149.02431	0.3
149.04482	0.6
151.00339	0.5
152.99557	0.2
159.02930	7.4
160.03305	0.4
161.04494	63.2
162.04832	2.2
163.06061	11.3
164.06381	0.5
175.04012	0.4
178.04825	0.3
179.05539	1.4
186.06766	0.2
199.03951	0.4
205.03596	2.4
205.07146	5.6
207.10326	0.3
213.15080	0.3
217.04994	0.3
219.13907	0.6
225.11362	0.2
229.07184	1.8
237.14908	0.6
247.08290	3.1
253.05154	0.4
265.09265	0.3
279.23654	0.2
285.04092	14.4
286.04407	1.5
307.10486	1.3
315.18173	48.4
316.18521	4.9
357.19598	0.3
359.17184	0.7
374.21506	0.2
375.20325	0.6
397.81952	0.2
417.21198	1.0
419.22662	0.2
461.07584	1.4
461.24011	44.6
462.07843	0.3
462.24353	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	461.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07103	0.4
57.03335	0.4
59.01260	4.0
61.98734	0.3
63.02267	0.4
63.76812	0.4
65.00166	0.4
69.31029	3.1
69.31435	0.6
71.01262	2.0
72.99181	0.4
75.00742	0.8
78.95787	9.6
85.02818	1.2
87.00739	0.5
89.02322	0.4
95.01241	0.3
95.04898	0.4
96.95912	0.4
97.06484	0.4
98.39217	0.3
99.00755	0.5
101.02266	0.4
107.01305	0.5
109.02800	0.5
109.06490	0.7
110.98431	7.4
111.08057	0.6
113.02325	1.3
121.02812	0.4
121.10094	0.5
133.02858	2.2
149.02359	1.0
151.00290	1.4
152.99539	2.3
167.01102	3.6
167.10635	0.5
169.71199	0.4
171.10236	0.8
175.03935	0.7
179.14345	1.0
185.02159	7.3
195.13869	9.6
196.14230	0.8
199.03949	0.8
205.12312	1.0
205.15944	0.8
207.10239	1.2
211.13397	0.5
216.69995	0.4
223.13376	8.1
224.13753	1.0
225.11308	0.9
228.13622	1.0
235.16982	0.5
256.13184	1.6
257.04501	0.4
265.21823	0.4
268.03802	0.5
275.20209	5.9
276.20566	0.7
279.23334	1.6
285.04089	46.6
286.04434	4.3
293.21277	100.0
294.21606	11.2
327.05167	0.7
420.34830	0.4
423.03787	0.4
461.07501	6.1
461.23227	28.9
462.07849	0.7
462.23611	4.1
462.29941	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.3
58.00473	0.4
59.01262	100.0
59.04861	0.2
59.76465	0.2
60.01598	1.0
61.98728	0.3
66.98429	0.2
69.03351	0.5
69.46721	2.0
71.01268	7.1
72.99203	0.7
73.02831	5.1
75.00750	1.7
83.01282	1.1
85.02838	2.5
87.00790	1.0
87.04424	0.3
89.02338	5.8
89.02843	0.5
94.06728	0.2
95.01264	0.4
97.06513	1.1
98.20519	0.5
99.00789	0.7
99.04489	0.3
99.08087	0.4
101.02347	7.9
103.03912	1.3
109.02874	0.3
113.02357	3.4
115.03907	0.3
117.01822	0.3
119.03415	2.4
120.41927	0.2
123.08152	0.2
125.02400	0.3
131.03452	1.1
133.02887	0.9
143.03427	1.7
145.05009	0.6
149.04530	0.5
151.00352	0.7
153.12785	11.8
154.13147	0.7
161.04489	1.5
163.06073	3.3
175.03957	0.4
179.05635	0.7
179.10757	4.7
181.12222	0.3
196.35950	0.2
197.11815	25.0
198.12157	1.7
199.03941	0.4
205.07135	2.2
206.07552	0.3
224.04851	0.7
225.11195	0.4
239.07152	3.2
240.07611	0.3
257.04456	0.3
279.23239	0.3
285.04089	18.4
286.04483	2.3
315.18121	0.3
327.21823	0.6
417.21268	0.4
442.95447	0.3
461.07404	2.3
461.24420	1.0
462.07660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32548	0.3
55.01821	0.6
57.03381	0.6
58.00543	0.6
59.00854	1.1
59.01337	30.5
60.01653	0.6
63.02351	0.8
65.00275	0.6
67.45421	0.3
69.03411	0.6
71.00921	0.9
71.01355	9.8
71.58993	0.5
72.99277	1.7
73.02917	1.8
73.16720	0.3
75.00849	5.1
80.02654	1.1
81.03442	1.9
83.01366	1.7
83.05006	2.3
84.02079	0.6
85.02930	5.1
87.00856	1.7
89.02435	7.3
93.03418	0.8
95.01371	1.3
95.05029	0.4
96.95979	0.7
97.02849	5.4
97.06570	0.4
99.00780	2.8
101.02342	8.3
102.02787	0.4
103.00364	0.6
106.04241	0.4
107.00754	0.3
107.01305	1.6
107.04956	0.6
109.02953	1.0
109.05782	1.1
109.06499	32.4
110.03729	1.1
110.06921	1.1
111.00851	0.4
111.04515	0.5
113.02351	6.2
115.00345	0.5
117.01884	0.4
118.98058	0.5
119.03436	2.2
121.02875	0.5
121.06544	2.1
125.02448	0.6
125.06093	0.4
125.09663	0.6
129.01921	0.4
133.02864	4.9
135.08080	2.8
136.05296	1.1
142.02739	1.5
143.03468	0.5
145.10208	0.6
149.02437	1.3
151.00270	2.4
157.04913	0.3
157.06343	0.4
161.02477	0.8
161.04512	3.2
161.09663	2.2
163.11223	18.9
164.11632	1.3
165.09262	0.4
171.04460	0.3
175.02541	0.8
175.04019	2.0
177.02000	0.5
179.05614	1.1
179.10800	0.7
180.05882	0.4
181.12294	4.3
185.06136	1.1
189.09166	1.7
195.04495	0.4
197.06004	0.6
199.03967	2.5
201.01971	0.7
207.10246	90.4
208.10591	6.6
209.11784	0.9
213.05571	1.2
215.03442	0.5
217.05087	0.8
224.04790	2.5
225.11319	51.2
226.11650	3.8
227.03348	0.4
235.08240	0.7
238.06374	0.5
239.07169	2.4
241.05078	14.7
242.05748	4.1
243.06345	0.4
243.12329	0.8
253.09323	20.7
254.09651	1.1
255.03078	0.9
257.08221	16.1
258.08606	2.1
268.03735	1.3
269.21161	0.6
271.02554	0.5
273.38095	0.4
281.17554	0.5
283.02429	0.8
284.03226	0.8
285.04095	100.0
286.04443	9.2
297.04019	0.7
299.05579	0.5
299.14932	1.4
299.18228	0.5
327.04953	1.1
336.15079	0.3
357.06009	0.6
375.23923	0.4
401.12735	1.6
417.19943	0.4
417.24948	0.8
434.16495	0.4
439.21075	0.4
443.18863	0.8
461.07141	9.4
461.19788	34.8
462.07208	1.3
462.20123	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	461.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26794	0.6
51.41066	0.7
55.01771	1.8
57.03332	3.6
58.00470	1.7
59.01265	57.3
70.84718	1.8
71.01271	37.5
71.08972	0.7
72.99190	2.3
73.02834	9.3
75.00745	0.8
81.03342	1.3
83.01287	5.2
85.02842	15.8
87.00776	2.3
89.02337	17.1
91.19640	0.8
95.01276	2.2
96.95911	1.2
97.02850	1.6
98.40087	0.7
99.00784	4.0
100.87377	0.7
101.02345	27.1
101.03017	1.4
109.06463	0.7
111.00779	3.4
113.01619	1.3
113.02354	13.8
115.03896	1.0
119.03403	1.4
125.02370	3.0
129.01842	1.1
131.03416	8.4
143.03436	2.8
146.54671	0.7
149.04515	5.0
151.00311	0.7
151.07661	0.9
154.01424	1.6
159.02921	2.9
159.82481	0.7
161.04501	17.8
162.04861	0.7
163.07611	0.6
173.09631	1.0
177.09003	0.7
179.05711	1.1
179.10812	1.0
189.09200	1.0
191.10742	12.0
192.11131	0.8
203.10750	5.5
204.11035	0.8
206.09505	0.8
221.11821	20.3
222.12204	1.5
233.06631	3.1
239.12866	1.0
268.03741	2.3
269.10364	22.3
270.10645	1.5
285.04141	6.9
293.08987	1.7
299.11234	1.1
383.17264	1.0
401.14594	100.0
402.14899	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	461.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	2.6
55.97771	1.0
57.03337	2.6
59.01264	64.6
69.03325	1.1
70.60831	3.4
71.01269	45.2
71.36111	1.2
72.99196	3.9
73.02836	13.0
75.00759	2.3
81.03343	1.3
83.01275	8.5
85.02843	18.0
87.00783	3.7
89.02339	20.0
89.37334	1.2
95.01291	1.9
96.95905	1.9
97.02835	2.2
98.19860	1.3
99.00781	4.6
99.04466	1.2
101.02346	33.3
111.00789	4.5
113.02354	14.6
119.03388	2.7
121.06470	1.8
123.80894	1.0
125.02345	4.5
131.03421	9.5
135.04425	1.1
143.03391	3.0
144.05690	1.6
147.23543	1.3
147.70978	1.1
149.04504	5.9
149.09673	3.9
151.03847	1.2
151.07578	1.3
154.01402	2.5
159.02974	1.8
159.08083	1.4
161.04504	16.2
163.07616	1.5
165.09207	1.4
167.03432	2.6
175.31703	1.2
176.51122	1.1
177.09175	12.2
178.09561	1.4
179.05487	1.3
179.10735	2.0
191.05750	1.4
191.10690	6.0
195.10269	3.0
198.75945	1.2
203.10739	6.3
204.11018	1.4
209.04558	3.0
221.11816	27.6
222.12070	1.7
233.06665	1.6
239.05638	4.5
239.09267	1.4
239.12936	5.8
268.03873	2.7
269.10342	23.4
270.10541	2.2
285.04141	8.4
286.04642	1.4
293.08765	2.3
299.11392	2.5
383.16611	1.1
401.14456	100.0
402.14807	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1098
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
51.60902	0.3
59.01261	6.6
63.02267	0.5
65.00220	0.8
71.01268	2.5
75.00758	1.3
81.22726	0.3
85.02829	1.7
87.00750	0.5
88.98692	0.5
89.02315	1.6
97.02876	0.7
99.00780	0.7
101.02350	1.0
103.00232	0.3
105.40086	0.3
107.01303	1.0
109.06482	2.6
113.02336	1.4
117.03358	0.4
119.03381	0.5
132.02184	0.4
133.02847	1.2
149.02354	0.5
151.00308	1.4
159.04430	0.4
161.04495	0.5
163.11214	1.4
164.49757	0.3
175.03908	0.7
181.12369	0.4
199.03972	1.1
207.10262	8.2
208.10654	0.7
211.03909	0.6
225.11324	6.1
241.04984	0.4
253.09360	1.9
255.03023	79.7
256.03400	7.4
268.03821	1.3
269.04544	4.0
270.05060	0.8
281.04584	0.4
283.02536	58.2
284.03177	14.5
285.04083	29.8
286.04465	3.2
297.04108	11.9
298.04846	18.1
299.05582	9.8
300.05972	0.6
313.03540	4.0
327.05353	1.0
341.06540	0.5
446.08618	20.7
447.08957	2.8
461.11035	100.0
461.24454	2.6
462.11414	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	461.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01786	0.2
57.03327	0.7
59.01267	2.7
63.02275	0.4
64.89263	0.2
65.00206	0.7
67.01763	0.7
67.44432	0.2
68.99677	0.3
69.66575	1.1
69.66988	0.4
71.01270	2.7
72.99185	0.5
73.02834	0.3
75.00760	1.4
83.01289	0.6
84.81725	0.2
85.02843	5.0
87.00763	1.0
89.02341	0.6
89.53075	0.2
93.03356	0.7
95.01279	1.9
99.00790	1.7
103.00264	0.7
104.93722	0.2
107.01295	1.0
109.02852	0.5
111.00758	0.3
113.02349	7.7
114.02721	0.4
115.00314	0.3
117.01838	0.7
117.03381	0.6
119.04955	0.8
121.02862	0.5
123.00804	0.4
129.01915	0.4
133.02869	2.8
135.00737	0.3
136.98752	0.8
137.02370	0.5
139.00284	0.6
143.04973	0.5
145.02905	0.8
149.02362	0.8
151.00337	1.9
155.04965	0.2
157.01434	0.2
159.04456	0.3
161.02368	0.4
163.00359	0.3
164.98227	0.2
165.01892	1.9
166.99734	0.3
167.04977	0.3
169.06570	0.6
171.04491	1.3
173.05980	0.3
175.02443	2.2
175.03972	0.9
183.04521	0.3
185.06013	1.4
187.03947	1.8
188.04338	0.2
189.05531	0.5
190.99875	0.3
192.00545	0.4
195.04527	0.2
197.06050	0.5
199.03983	1.2
201.05525	0.5
211.03987	0.8
213.05547	3.4
215.03470	0.8
217.05074	0.8
223.04192	0.3
227.03529	0.3
227.88394	0.2
229.05055	1.0
239.03416	1.2
240.04327	0.5
241.05118	1.7
243.03033	0.3
255.03091	0.4
256.03748	0.5
257.04599	1.6
266.71249	0.2
267.02991	0.8
268.03854	2.2
269.04489	0.6
284.03311	0.9
285.04105	100.0
286.04462	9.0
297.04166	0.3
327.05121	0.6
357.06119	0.7
370.47964	0.2
396.67123	0.3
461.07327	6.3
462.07635	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	461.0735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64369	0.2
51.21790	0.2
57.03320	0.3
58.00456	0.2
59.01263	7.4
63.02271	0.6
65.00201	0.8
69.03304	0.2
70.56792	0.2
70.59870	0.2
71.01264	3.4
72.97397	0.2
72.99194	0.7
73.02831	0.7
73.40710	0.2
75.00761	1.7
78.98644	0.2
83.01275	0.8
85.02846	1.8
87.00777	0.6
89.02339	1.6
89.28239	0.2
95.01275	0.8
95.04974	0.3
97.02850	0.7
99.00782	1.1
101.02357	1.1
107.01295	1.8
109.06495	2.4
111.00771	0.2
113.02348	2.3
115.00279	0.3
119.03414	0.4
121.02855	0.3
129.01880	0.2
131.03401	0.2
131.04852	0.2
133.02869	8.2
134.03236	0.3
135.08066	0.3
139.00301	0.2
143.04955	0.2
145.22763	0.2
149.02380	1.7
151.00301	4.8
151.56155	0.2
161.04550	0.5
163.11221	1.9
169.06459	0.2
171.04463	0.4
175.02507	0.4
175.03951	2.4
176.04276	0.2
177.01830	0.3
181.12276	0.6
184.06201	0.2
185.05978	0.2
197.06039	0.3
198.03273	0.3
199.03969	2.1
201.01895	0.9
207.10252	7.6
208.10434	0.2
213.05571	0.6
215.03426	0.3
217.04999	1.4
225.11336	6.4
238.21936	0.2
241.05106	0.9
242.02101	0.3
243.03024	0.6
243.12476	0.3
253.09361	1.4
255.02982	0.6
256.03696	0.5
257.04489	0.4
267.02951	0.4
268.03824	0.5
271.02597	0.3
283.02448	0.5
284.03250	0.8
285.04095	100.0
286.04437	9.1
299.02130	0.2
299.15201	0.2
300.08832	0.2
327.05048	0.3
357.06125	0.2
399.07263	0.3
461.07321	10.4
461.20361	2.8
461.25464	0.5
462.07611	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	461.0735
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
53.44627	0.2
57.03327	0.6
59.01266	3.1
63.02283	1.9
64.17449	0.3
65.00212	1.1
68.99689	0.3
69.66604	1.9
71.01277	3.5
72.99198	0.8
75.00763	0.7
83.01284	0.9
85.02840	3.3
87.00760	1.5
89.02335	0.5
90.29102	0.2
95.01311	0.8
95.19805	0.3
98.19836	0.5
99.00784	1.9
103.00269	0.3
105.03358	0.7
107.01290	2.8
109.02866	1.2
111.00739	0.3
113.02372	2.2
113.10719	0.3
115.00289	0.4
117.01866	0.4
121.02895	1.1
133.02882	10.1
135.04448	0.3
149.02396	2.4
151.00308	6.5
151.03894	0.3
171.04526	0.7
175.02534	0.4
175.03955	3.5
177.01968	0.5
185.06050	0.6
189.05510	0.4
197.06053	0.4
198.03220	0.6
199.04004	3.0
201.01907	1.1
213.05540	0.8
215.03407	0.5
217.05032	1.6
229.05035	0.5
240.04141	0.3
241.05003	1.2
243.02956	0.7
257.04666	0.6
267.02975	0.6
268.03745	0.3
284.03488	0.8
285.04108	100.0
286.04468	9.8
297.04102	0.4
299.05417	0.4
305.78107	0.3
327.05148	0.9
357.06259	0.8
381.05942	0.3
461.07361	10.5
462.07651	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	459.2609
Annotation	Cosmosporaside B
Peak:m/z	Relative Intensity
53.67527	0.1
54.88039	0.1
55.01773	0.6
57.03334	0.5
57.66178	0.1
58.00481	0.4
59.01261	100.0
60.01597	1.2
68.06506	0.1
69.03354	0.2
69.40964	1.0
71.01265	8.7
71.04910	0.2
72.99187	0.3
73.02832	2.7
73.03439	0.1
75.00766	0.2
79.20707	0.1
83.01273	1.3
85.02841	3.3
85.99982	0.1
87.00761	0.6
87.04409	0.9
89.02332	3.8
95.01287	0.8
97.02882	0.2
98.19877	0.3
99.00768	1.1
100.18145	0.1
101.02335	6.5
101.05979	1.8
101.06590	0.2
111.00809	0.3
112.01588	0.2
113.02358	4.1
119.03412	1.3
125.02346	0.7
131.03427	0.2
143.03477	0.5
159.02946	0.3
161.04489	2.8
179.05566	0.9
179.14276	0.1
191.03481	0.1
213.72745	0.1
227.03508	0.1
246.24782	0.1
255.03159	0.2
255.19722	1.0
272.80835	0.1
283.02640	0.1
297.20786	0.9
298.21298	0.1
351.22308	0.1
381.22989	0.2
399.18649	0.3
399.23929	5.4
400.24402	0.7
417.24985	8.0
418.25293	1.1
459.26364	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	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.3
57.03339	0.5
58.00477	0.2
59.01263	100.0
60.01597	1.3
61.98718	0.2
69.03345	0.3
70.89808	0.3
71.01268	9.0
72.01609	0.2
72.99202	0.6
73.02837	2.9
75.00760	1.8
83.01274	1.3
85.02843	3.9
86.03182	0.2
87.00784	0.5
87.04411	1.0
89.02338	2.4
95.01283	0.9
97.02843	0.2
99.00782	1.0
100.01147	0.1
101.02345	4.2
102.02680	0.1
112.01614	0.1
113.02355	6.7
114.02698	0.1
118.11222	0.1
119.03408	0.8
119.14117	0.1
121.02895	0.3
125.02376	0.3
131.03401	0.2
135.04419	0.1
143.03459	0.7
144.42184	0.1
149.04565	0.1
159.02934	0.4
161.02454	0.1
161.04497	3.3
175.14984	0.1
179.05566	0.1
179.14424	0.1
191.03474	0.6
192.04031	0.1
237.14912	0.3
255.03035	1.0
255.19653	0.5
256.03461	0.1
283.02570	1.1
284.03171	0.3
297.07767	0.2
399.23984	7.9
400.24225	1.1
417.25174	2.9
418.25247	0.4
441.21255	0.2
459.22324	7.1
460.22827	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	459.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.3
57.03330	1.2
59.01264	100.0
60.01567	1.0
61.98715	2.3
62.80157	0.7
69.37691	0.8
69.37993	7.8
71.01272	8.3
72.99208	1.9
73.02842	1.4
73.96545	0.7
75.00765	5.5
75.01138	0.9
75.95177	0.9
78.41669	0.8
83.01286	1.4
83.04924	1.9
85.02840	4.4
87.00755	1.4
89.02332	5.6
95.01289	1.4
96.95910	0.9
97.06470	1.2
99.00771	2.1
101.02338	5.8
107.01281	2.0
109.02871	1.0
113.02362	5.8
119.03408	3.2
123.04403	0.9
125.09647	1.0
127.07555	2.3
133.02914	1.7
135.04486	1.9
151.00278	1.7
153.09143	3.1
161.04494	3.1
173.06023	1.1
175.04216	0.7
179.05577	1.2
181.12267	1.4
183.04474	1.9
185.11784	1.8
191.03430	1.1
197.11844	1.2
201.05553	1.0
201.09235	0.9
209.11819	8.3
210.12267	0.9
211.07675	1.4
227.03615	1.7
227.07190	0.8
237.14917	1.7
255.03018	29.5
256.03513	3.4
269.04608	1.8
282.44336	0.9
282.99496	1.2
283.02542	21.2
284.03290	31.2
285.04044	4.8
289.18164	3.8
297.04160	4.8
297.86798	0.8
307.19202	18.1
308.19583	2.5
312.15689	4.7
313.03339	1.1
325.20313	12.8
326.20444	1.0
336.57751	0.8
381.22736	4.1
399.07187	1.4
399.23917	6.1
411.84344	0.8
459.28876	1.6
463.08319	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	459.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21333	0.4
59.01267	2.1
62.01922	0.4
70.69953	0.4
71.01273	1.3
71.54340	0.7
72.56381	0.4
73.02835	41.6
87.00781	0.6
89.02345	1.1
89.03654	0.4
99.00769	4.5
99.92443	0.5
101.02329	1.0
116.92774	10.6
117.01853	100.0
117.92827	0.6
118.02201	2.6
118.05027	1.3
119.03416	0.4
142.99020	0.5
151.03976	0.6
179.05530	0.5
236.67079	0.4
262.09250	0.5
279.10999	0.7
293.87524	0.4
341.11020	0.8
367.67697	0.4
459.14453	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45359	0.3
57.03319	0.3
59.01262	7.5
61.98713	0.4
63.02272	1.1
65.00204	0.5
69.32236	1.5
69.32658	1.1
71.01279	1.6
72.99200	0.3
73.02818	0.4
75.00747	1.6
81.12604	0.3
83.01272	0.9
85.02841	0.5
85.95594	0.2
86.13077	0.2
87.00771	0.3
89.02313	0.7
97.02784	0.2
98.19821	0.5
99.00767	0.3
101.02314	1.1
105.06051	0.3
107.01292	2.2
113.02338	0.9
113.77045	0.3
117.03358	2.3
117.76098	0.2
118.97989	0.3
119.03400	0.3
121.02857	0.6
125.02315	0.3
135.04414	0.4
147.00787	0.3
148.01566	0.7
149.02377	1.5
149.99477	0.8
151.00294	2.9
159.04372	0.4
163.03963	0.3
164.40218	0.3
167.05038	0.4
171.04466	1.4
172.05203	1.1
179.03323	0.3
183.04388	0.4
184.05206	0.3
191.03456	0.8
192.04189	0.3
193.05063	0.3
195.04417	0.4
196.05226	0.8
198.03218	0.3
199.03986	0.4
200.04716	0.9
211.03937	2.1
212.04733	1.2
224.04800	0.4
225.05460	0.4
227.03456	0.3
239.03513	4.2
240.04243	4.7
241.04651	0.3
255.02995	2.9
267.02985	2.4
268.03799	100.0
269.04358	17.7
270.04935	0.8
281.04633	0.5
283.02518	1.8
283.06122	1.4
284.03119	0.7
311.05624	0.8
314.68161	0.3
341.07040	0.4
343.21054	0.4
415.21063	0.3
459.09399	82.2
460.09732	11.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
70.24947	1.6
99.92481	5.1
100.93259	3.2
115.91985	100.0
116.91987	6.1
116.92774	6.3
117.92778	0.5
132.92284	1.1
135.49922	0.3
142.94336	0.4
155.95140	0.4
172.95441	5.6
173.95479	0.4
268.78137	0.3
283.26440	0.7
313.28281	0.4
383.18750	0.5
409.20563	0.8
428.47382	0.4
439.21692	0.6
457.22653	5.0
458.23032	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	459.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01797	0.7
55.29470	0.6
57.03108	1.3
57.03388	4.1
57.24211	0.6
59.01317	60.1
61.98771	2.1
63.02345	0.8
68.99733	0.7
69.36848	1.2
69.37252	4.4
71.01271	21.4
72.01711	0.5
72.99200	3.9
73.02902	4.1
75.00763	10.3
75.71569	0.7
77.00978	0.6
83.01353	2.7
84.02126	0.8
85.02841	33.9
86.03220	1.1
87.00768	6.4
89.02338	4.6
95.00707	1.3
95.01280	10.4
97.02888	0.8
97.06534	0.9
98.20570	1.3
99.00773	11.6
101.02336	4.4
103.00285	4.3
107.01326	0.9
111.00866	1.7
113.02353	64.5
114.02778	1.9
115.00279	3.0
117.01921	2.9
118.98104	1.8
119.03445	1.3
121.02917	0.9
129.01889	3.2
135.04521	1.9
135.98312	0.9
151.00381	2.1
157.01402	1.2
161.04564	1.1
163.04030	0.9
172.05290	0.6
175.02437	14.6
175.03922	0.9
178.02327	0.6
179.05600	0.7
191.03491	3.0
192.04279	0.6
193.05118	0.9
200.04779	0.8
211.03935	0.8
212.04813	0.6
239.03481	1.3
240.04225	3.1
255.03049	8.7
267.03009	2.0
268.03812	99.7
269.04114	9.8
281.04587	0.8
283.02667	6.0
283.06152	100.0
284.03442	1.2
284.06476	10.8
371.14331	0.7
399.23608	2.3
417.25049	1.3
443.67926	0.6
459.09378	2.9
459.22104	8.9
459.29327	1.9
460.22232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3542
Annotation	Oleanolic acid
Peak:m/z	Relative Intensity
59.01262	0.6
71.56574	0.8
172.76053	0.6
250.89626	0.6
301.31277	0.6
455.35413	100.0
456.35773	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08290	0.4
57.03336	1.4
58.54163	0.4
59.01264	64.7
60.01608	0.7
61.98721	1.8
69.46276	1.5
69.46701	2.2
71.01261	3.5
73.02858	0.7
74.91068	0.4
75.00764	1.4
83.01288	0.5
85.02833	2.1
87.00771	0.5
87.04408	100.0
88.04744	1.9
89.02351	1.3
95.01299	0.6
96.95921	0.6
99.00791	0.8
101.02350	2.6
103.03913	23.6
107.40283	0.5
113.02352	3.1
119.03365	1.2
125.02409	0.5
161.04477	1.4
161.11751	1.0
163.28098	0.5
229.89769	0.4
247.08026	0.6
288.79251	0.4
305.16141	10.1
306.16275	1.0
323.16943	0.5
331.02155	0.4
393.21420	5.1
394.21555	0.9
453.13477	0.4
453.22278	1.0
456.13248	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.2145
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01782	2.9
57.03329	2.6
58.00486	1.3
58.91343	0.6
59.01264	67.4
59.52154	0.6
60.01583	1.5
61.17403	0.7
61.98715	3.0
69.03345	0.8
69.51227	4.6
71.01270	33.5
72.99204	1.3
73.02834	17.4
74.15097	0.5
75.00764	1.6
83.00808	1.0
83.01273	12.3
85.02840	17.0
86.00026	0.8
87.00764	2.0
89.02335	5.1
95.01299	1.3
96.95910	1.8
97.02845	1.4
99.00771	6.5
101.02344	43.3
102.02661	1.0
103.03936	1.4
111.00803	1.1
113.02351	15.5
115.92047	0.7
116.92785	1.8
119.03416	0.6
125.02343	1.9
127.03931	0.7
129.01849	1.3
143.03406	1.6
145.05057	0.8
159.02954	3.0
161.04497	11.3
163.06090	0.8
201.26295	0.5
205.03644	0.7
236.52095	0.6
247.08339	1.2
249.13474	63.7
250.13795	4.7
395.19293	100.0
396.19672	11.5
455.03094	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	9.8
59.00993	0.4
59.01266	5.2
61.98708	1.1
66.73711	0.2
70.34604	0.4
70.34982	0.4
71.01270	1.0
73.02834	2.3
75.00762	1.2
78.95819	0.2
79.88036	0.3
85.02853	0.7
87.00774	0.4
87.04411	3.3
89.02349	0.5
101.02326	0.7
103.03915	100.0
104.04263	2.0
113.02353	0.6
116.92782	0.7
117.68275	0.3
161.04588	0.3
178.47430	0.2
253.05234	0.6
305.16229	0.3
460.71915	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62026	0.3
54.75481	0.3
54.78139	0.2
55.01753	0.3
57.03334	0.6
59.01263	46.9
60.01596	0.7
61.01678	0.3
61.98711	1.2
69.71155	1.0
69.71583	0.9
71.01270	4.0
72.99188	0.5
73.02831	1.2
75.00761	2.3
79.15544	0.3
83.01261	0.5
85.02828	1.2
87.00739	0.5
87.04408	100.0
88.04751	1.6
89.02346	1.4
99.00766	0.4
101.02346	3.0
111.01873	0.6
113.02339	2.1
119.03388	0.6
121.06461	0.3
124.93333	0.3
125.02332	0.3
128.56937	0.3
141.09143	0.3
146.06082	0.3
161.04495	1.8
161.11755	0.4
164.94821	0.3
179.05693	0.4
240.04408	0.3
255.06688	0.3
305.16104	10.2
306.16223	1.0
323.16864	0.5
333.18063	0.4
351.18918	0.6
393.21246	7.6
394.21384	0.9
434.16861	0.3
453.18240	0.5
454.19342	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	453.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29751	0.2
54.47232	0.2
57.03338	0.3
59.01264	100.0
60.01590	1.4
61.53909	0.2
61.98715	1.6
69.03333	0.2
69.28454	1.6
69.28859	0.4
71.01267	22.5
72.01614	0.3
72.99203	0.3
73.02827	1.6
74.81091	0.3
75.00756	1.1
83.01279	0.8
85.02845	3.3
85.06483	0.2
86.00020	0.2
86.87589	0.2
87.00768	2.3
87.04430	0.4
89.02341	2.3
95.01308	0.6
98.19720	0.4
99.00764	1.2
101.02341	4.4
101.06008	0.3
102.98505	1.3
111.00832	0.2
111.14966	0.2
113.02359	3.2
113.06002	0.4
115.07590	0.3
119.03458	0.5
120.99571	31.9
121.99899	0.6
125.02385	0.3
125.20790	0.2
129.01884	0.2
129.05441	0.2
129.09134	0.7
135.04507	0.2
143.03383	0.4
151.00391	0.2
157.08618	1.7
159.02919	0.5
161.04492	3.4
171.10266	0.3
175.09714	5.7
201.11320	2.0
202.89293	0.2
229.10825	4.8
273.13577	4.3
274.13828	0.3
283.05048	2.1
284.03040	0.3
285.04285	0.4
291.14563	5.3
292.14938	0.6
301.12903	0.4
319.13889	0.6
333.15616	9.9
334.16061	0.9
351.35828	0.2
361.15131	1.1
393.24719	0.4
441.34659	0.3
454.20078	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1988
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41154	0.5
55.01750	0.6
57.03337	1.3
58.00486	2.2
59.01262	100.0
60.01590	0.9
61.98708	0.7
65.64520	0.5
69.03358	1.0
70.92133	1.3
71.01265	28.6
72.01611	1.0
72.99181	3.6
73.02834	17.9
75.00768	1.8
81.03360	0.5
83.01276	3.2
85.02841	8.6
86.00017	0.8
87.00777	6.0
87.04411	2.2
89.02333	37.4
93.98362	0.5
95.01301	1.1
97.02868	1.0
99.00794	1.0
99.24408	0.6
101.02341	44.1
102.02672	0.6
103.03909	13.0
113.02352	8.7
113.03082	0.9
115.03925	4.4
119.03409	14.7
119.04252	0.9
125.02386	2.0
127.03944	1.2
131.03426	9.3
139.11847	0.5
139.93071	0.5
143.03423	10.5
145.05029	3.8
145.74135	0.5
161.04553	1.9
163.06061	58.8
164.06418	2.5
171.95621	0.6
179.05585	5.3
205.07146	17.8
210.74712	0.6
216.91324	0.6
235.08344	0.8
247.11914	3.8
265.09335	6.7
393.17728	39.8
394.18027	5.0
407.23022	2.0
453.23840	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	452.2792
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
50.70341	0.3
52.97231	0.2
59.01257	0.6
61.98702	0.6
71.36330	0.5
78.95793	38.3
96.96877	1.3
119.53967	0.2
122.00088	0.5
131.28230	0.2
140.01123	5.6
152.99521	5.5
171.00612	3.8
192.01515	0.3
196.03795	9.7
214.04854	1.8
253.22021	0.3
255.23329	100.0
256.23669	10.5
452.27924	41.1
453.28265	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	453.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26891	0.2
55.01764	0.3
55.33941	0.2
57.03327	0.3
59.01262	100.0
60.01586	1.2
61.98716	0.8
69.59827	1.7
71.01265	21.4
72.01597	0.3
72.99216	0.3
73.02836	2.5
73.51430	0.2
75.00761	0.8
83.01288	0.7
85.02841	3.1
85.06513	0.2
85.99998	0.4
87.00766	2.4
87.04414	0.5
89.02344	1.8
95.01299	0.4
97.02844	0.3
98.20558	0.2
99.00761	1.0
100.26547	0.2
101.02340	5.0
102.97937	0.2
102.98489	1.2
110.77058	0.2
113.02346	3.0
113.05984	0.4
115.07631	0.3
117.64542	0.2
119.03439	0.3
120.99565	16.8
121.99914	0.4
125.02426	0.3
127.07557	0.3
129.09143	0.8
131.07089	0.3
143.03465	0.3
157.08632	1.9
159.02936	0.6
161.04482	3.2
161.05684	0.3
167.95836	0.2
175.09676	4.7
176.10097	0.4
201.11272	2.2
203.05573	0.3
229.08633	0.2
229.10820	4.5
230.11206	0.5
267.84457	0.2
273.13513	3.7
274.14059	0.3
283.05087	0.8
291.14554	4.1
301.12958	0.4
319.14072	0.4
333.15598	9.4
333.19434	0.5
334.16022	0.8
344.73395	0.2
361.15048	1.4
393.17593	0.3
400.60928	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	452.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	18.5
60.01593	3.5
61.01687	3.8
61.98715	100.0
62.02023	0.4
69.43862	0.5
69.44269	2.0
71.01282	1.8
71.64290	0.3
72.99197	0.4
73.02843	0.8
75.00769	1.0
84.00822	1.2
85.02840	1.0
87.00785	0.5
89.02332	2.0
90.02695	0.4
98.20467	0.7
99.00794	0.4
101.02345	1.5
102.02660	0.3
109.02857	0.3
113.02328	0.6
119.03468	0.5
161.04503	0.9
179.05589	0.4
180.05849	0.5
181.68196	0.3
186.07655	0.8
261.13614	0.4
391.68298	0.3
392.22876	1.6
405.21213	0.4
406.21735	0.4
452.22778	1.1
453.23618	0.4
463.85611	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.2
57.03328	0.6
58.02861	0.3
59.01264	5.2
60.01604	0.2
61.98478	0.1
61.98725	1.4
64.74780	0.1
65.00220	0.4
65.56171	0.1
69.24085	1.3
71.01263	2.4
72.99193	0.8
73.02834	0.6
75.00763	1.5
80.04950	0.4
81.03346	9.2
82.03685	0.5
83.01267	0.3
83.04912	24.7
84.05251	1.4
85.02837	3.5
86.03175	0.2
87.00754	0.7
89.02348	0.9
93.03338	0.9
95.01287	0.9
96.01601	0.1
98.19828	0.3
99.00780	1.5
100.07586	0.2
101.02325	0.6
103.00275	0.6
103.61841	0.1
107.01279	0.5
107.06051	0.8
108.04482	1.0
113.02352	6.0
114.02693	0.3
115.00260	0.5
117.01821	0.6
117.03395	0.7
119.03432	0.1
125.02350	0.3
125.07124	2.8
126.05518	0.6
126.07481	0.2
129.01872	0.3
133.41299	0.1
143.08199	1.6
151.00311	1.3
157.01367	0.2
160.78970	0.1
161.04555	0.3
175.02478	1.2
176.11455	0.1
183.14922	0.2
193.03427	0.3
193.83621	0.1
195.01871	0.2
203.12846	0.2
207.15002	2.6
208.15311	0.4
224.17697	3.7
225.16081	10.8
225.17975	0.7
226.16389	1.6
229.01335	0.2
231.16032	0.2
235.72963	0.1
239.03513	0.6
242.18750	1.2
243.19061	0.2
250.15736	0.1
263.03497	0.2
267.10553	0.1
268.16699	0.4
276.03537	1.6
276.53732	0.7
281.04465	0.3
290.22400	0.3
305.04691	0.2
307.02396	0.2
308.51721	0.1
309.21878	0.4
323.05594	0.3
324.26526	1.4
325.27078	0.4
333.23022	3.8
334.23407	0.8
339.27740	0.3
341.29288	0.2
347.05530	0.3
351.24173	1.0
364.05194	1.2
364.55194	0.4
367.27203	0.9
368.27527	0.3
385.28488	0.2
391.04703	2.0
391.23132	0.4
391.27368	0.4
392.05042	0.4
392.23285	0.3
401.06802	0.3
406.30878	0.2
415.04565	0.2
427.04733	0.2
433.05832	0.5
433.31915	5.1
434.32224	2.0
451.32974	100.0
452.33286	36.5
453.33398	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3185
Annotation	Unknow
Peak:m/z	Relative Intensity
55.87927	0.5
58.23670	0.6
59.01262	100.0
60.01582	1.0
60.07640	0.5
61.98706	0.8
68.15206	0.6
71.01281	0.6
74.21954	0.5
75.00742	0.9
78.95811	1.7
81.03326	2.6
83.04906	11.4
84.05240	0.6
98.20611	1.0
102.75960	0.5
108.76395	0.5
146.95895	0.5
154.27203	0.5
162.49742	0.5
162.83833	0.8
175.64633	0.5
180.32387	0.5
229.56815	0.5
391.29742	41.8
392.30029	5.9
407.18295	0.5
410.25897	2.3
451.15643	1.1
451.21600	0.7
451.28363	0.5
452.27487	0.6
473.52652	0.6
475.01926	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03892	0.1
55.01748	0.1
57.03328	0.1
58.00503	0.1
58.02854	0.3
59.01265	3.0
60.01612	0.1
61.01691	0.1
61.98716	0.7
65.00236	0.1
67.01796	0.1
70.41237	0.1
71.01270	0.9
71.58968	0.1
72.04452	0.1
72.99203	0.1
73.02837	0.3
75.00764	0.4
80.04946	0.2
81.03348	7.7
82.03674	0.2
83.01258	0.1
83.04914	22.9
84.05259	0.6
85.02829	0.8
87.00765	0.2
89.02346	0.4
93.03360	0.2
95.01283	0.1
96.04442	0.1
99.00788	0.3
100.07581	0.3
101.02328	0.5
103.00291	0.1
107.01266	0.1
107.06055	0.7
108.04458	0.8
109.02848	0.1
113.02349	1.0
117.01867	0.1
117.03374	0.1
119.03432	0.1
125.06211	0.1
125.07133	2.7
126.05534	0.5
126.07497	0.1
143.08197	1.7
151.00319	0.2
161.04492	0.2
166.12366	0.1
175.02435	0.2
181.17049	0.1
183.14993	0.1
189.01950	0.1
199.18163	0.1
203.12854	0.2
207.15009	3.2
208.13475	0.2
208.15352	0.2
217.01558	0.1
222.16228	0.1
224.17680	4.2
225.16086	13.5
226.16414	0.9
239.03499	0.1
242.16312	0.1
242.18776	1.6
243.19138	0.1
250.15630	0.3
268.16595	0.3
276.03619	0.3
290.22574	0.3
292.20300	0.1
306.21979	0.2
307.24072	0.2
308.23889	0.1
309.21738	0.5
310.21982	0.1
324.22882	0.1
324.26633	1.8
325.26962	0.2
333.23016	4.6
334.23514	0.5
339.27841	0.3
341.06561	0.2
341.29434	0.2
350.24725	0.1
351.24127	1.2
352.24490	0.1
364.05081	0.1
367.27261	1.0
367.31512	0.1
368.27512	0.1
383.30511	0.1
385.28235	0.4
391.04797	0.4
391.23056	0.7
391.27353	0.2
406.30774	0.2
410.86777	0.1
433.05783	0.1
433.31918	6.3
434.32220	1.0
451.32977	100.0
452.33292	14.9
459.03787	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	451.2569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05372	0.5
55.01783	1.3
57.03322	0.8
58.00487	1.7
59.01266	100.0
60.01590	2.4
61.01702	0.9
61.43666	0.4
61.98720	33.0
67.61160	0.5
69.03336	0.6
69.49772	4.3
71.01274	24.9
71.04906	1.0
72.01604	0.7
72.99210	3.3
73.02842	4.3
73.04451	0.4
75.00764	5.5
78.95818	0.8
81.03378	0.9
83.01283	3.1
85.02843	10.0
87.00779	3.0
87.04475	0.7
87.58651	0.6
88.98700	2.6
89.02339	18.3
90.02639	0.7
95.01295	1.5
96.95933	1.0
99.00782	2.7
99.04426	1.2
101.02345	21.2
102.02715	0.7
109.02907	0.7
113.02365	11.9
115.03841	0.9
118.98044	0.5
119.03426	8.0
119.08641	0.7
125.02386	1.2
129.01917	0.6
131.03455	1.2
135.04434	0.8
137.09703	1.2
143.03441	2.5
149.04546	1.7
150.16051	0.5
151.00343	1.1
159.02972	2.2
161.04515	12.8
161.05835	0.9
162.04890	0.9
167.03439	1.4
167.89230	0.5
179.05515	2.9
189.42671	0.5
205.03606	0.6
217.08768	0.5
227.07329	1.0
229.14558	1.0
244.09975	0.9
245.10243	1.1
261.21008	0.5
271.06281	0.8
271.15607	1.2
289.09412	0.9
289.16830	0.6
305.16296	1.4
349.19070	0.5
390.22397	0.5
391.23434	45.5
392.23734	5.4
443.19601	0.5
447.90421	0.6
451.21588	12.0
452.22440	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.4
58.00459	0.4
59.01265	100.0
60.01604	1.2
60.65065	0.3
61.98716	2.1
65.00224	0.4
69.84135	1.4
69.84551	0.6
71.01272	9.2
72.01635	0.4
72.99204	0.9
73.02837	2.8
75.00762	2.5
81.03359	0.4
83.01273	1.6
83.04944	1.2
85.02842	5.7
85.03304	0.6
87.00787	1.0
89.02343	5.6
93.03337	0.5
95.01302	1.5
98.20543	0.4
99.00793	1.9
101.02350	7.4
103.00275	0.4
107.01363	0.4
109.02862	0.5
111.00854	0.3
111.98116	0.4
113.02361	7.4
115.00266	0.3
117.01902	0.4
119.03431	1.9
125.02399	0.6
131.03474	0.6
142.99066	0.4
143.03519	0.4
149.04539	0.9
151.00362	1.2
159.02956	0.9
161.04495	6.1
161.16733	0.4
175.02525	0.9
179.05589	0.5
197.64676	0.3
209.25713	0.3
214.60339	0.3
225.16135	0.4
276.03671	0.5
286.04092	1.1
287.04742	1.3
288.04831	1.3
289.05222	1.0
319.17776	0.6
331.17786	0.8
341.06769	0.4
349.18997	1.2
364.05344	0.7
391.04840	1.3
391.23459	22.1
392.23898	2.5
401.11780	0.4
433.05878	0.8
435.22485	3.6
451.10428	3.2
451.21921	2.1
451.26697	1.3
451.32690	4.9
452.33212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03005	0.2
55.01770	0.2
56.63821	0.2
56.88895	0.2
57.03351	0.5
59.01263	100.0
60.01605	1.7
60.14728	0.2
61.01691	0.4
61.98718	12.9
69.62541	1.8
70.61677	0.2
71.01270	7.8
72.01608	0.3
72.99197	0.6
73.02843	1.9
75.00751	1.4
83.01284	0.9
85.02846	2.7
87.00772	0.7
89.02340	4.6
90.02690	0.4
95.01297	0.7
99.00801	0.9
101.02343	5.9
111.00809	0.3
113.02357	3.4
118.98008	0.6
119.03399	2.1
131.03421	0.4
137.38147	0.3
143.03473	0.4
159.03021	0.6
161.04500	5.4
161.05829	0.3
168.24164	0.2
179.05635	0.9
187.13371	0.3
291.78180	0.3
296.52640	0.2
296.57031	0.2
356.42343	0.3
389.22128	0.5
391.23367	21.0
392.23914	2.5
410.04221	0.3
435.22379	3.9
436.23087	0.6
451.21661	1.4
451.27051	1.8
459.74637	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	451.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01778	0.4
55.36427	0.3
57.03334	0.8
58.00471	0.6
59.01263	100.0
60.01601	1.4
61.98719	6.8
65.00220	0.4
71.01271	14.7
71.49310	0.4
71.55745	0.5
72.99202	1.5
73.02831	3.6
75.00760	4.2
75.01151	0.5
80.48442	0.3
83.01290	1.6
85.02850	6.1
87.00793	0.8
89.02340	9.5
91.86835	0.4
95.01315	1.2
99.00760	1.9
101.02346	12.4
109.02916	0.5
111.00780	0.4
113.02351	6.7
113.03065	0.6
118.30466	0.3
118.98032	0.6
119.03413	3.8
120.99570	0.5
121.02911	0.6
125.02374	0.5
128.82857	0.4
129.01917	0.6
131.03442	0.4
135.04488	0.6
143.03452	1.3
151.00357	0.4
158.88713	0.4
159.02980	1.2
161.02434	0.6
161.04509	6.5
163.00294	0.6
163.39499	0.4
179.05614	1.2
181.75427	0.3
190.99861	2.3
203.03543	0.5
205.03589	0.4
207.34946	0.4
214.06427	0.5
229.18170	1.5
236.05435	0.4
246.11450	0.6
247.11865	0.8
289.20178	0.6
354.06097	1.4
391.23438	41.5
392.23810	5.5
451.25836	1.8
452.26468	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	46.7
71.01273	34.6
72.99193	8.0
75.00755	7.7
82.53265	4.3
85.02839	12.6
87.00768	3.7
89.02341	37.3
96.95896	6.1
99.04350	5.5
99.07996	3.5
101.02348	24.8
101.32838	3.7
107.36919	3.9
113.02357	13.1
119.03436	20.4
119.04935	4.0
122.78115	4.3
131.03442	7.9
141.05550	3.9
156.74689	3.6
161.04514	13.9
179.05560	23.4
199.09840	4.4
225.14935	3.9
243.16040	26.0
335.58398	3.9
361.14542	3.8
405.21396	100.0
406.21777	14.7
451.22607	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	451.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77856	0.3
55.01770	0.5
55.80288	0.3
56.56174	0.3
57.03342	0.7
58.00486	0.5
58.18056	0.3
59.01263	100.0
60.01610	1.9
61.01688	1.0
61.98715	31.4
69.22338	2.4
69.22761	1.2
71.01267	11.4
71.01667	0.4
72.01591	0.6
72.99207	1.1
73.02834	3.8
75.00759	1.9
79.48740	0.3
83.01284	2.1
85.02834	2.8
86.03191	0.3
87.00789	1.0
87.04425	0.5
88.98708	1.4
89.02333	7.0
90.02674	0.6
95.01308	0.8
97.02924	0.4
99.00803	1.3
101.02348	10.2
102.02713	0.5
113.02358	5.3
114.02759	0.5
119.03405	3.6
125.02420	0.6
131.03450	0.7
132.62770	0.3
143.03496	1.5
149.04549	0.8
159.03006	0.5
161.04482	4.3
162.04886	0.4
163.04980	0.5
178.04956	0.3
179.05545	1.5
187.13373	2.6
253.14697	0.4
259.12003	1.1
261.34470	0.3
271.10938	0.6
305.16122	0.6
331.17703	6.0
331.21454	0.3
332.18195	0.4
349.18719	10.9
350.18881	0.7
389.21924	0.6
390.22476	0.4
391.20059	6.9
391.23581	1.9
392.20197	0.7
435.21609	0.5
451.17108	0.4
451.23148	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	451.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	2.6
57.03338	2.1
58.00480	2.9
59.01264	83.9
59.68089	0.6
60.01617	1.0
61.98719	2.6
69.33224	5.0
69.33652	1.7
71.01270	55.0
72.01611	1.0
72.99199	4.1
73.02835	39.0
74.03168	0.6
75.00766	3.1
81.03367	0.8
83.01260	4.1
85.02842	14.3
87.00777	2.7
87.04384	0.9
89.02337	56.8
90.02707	1.1
91.45501	0.7
95.01248	3.4
97.01155	0.6
97.02882	0.7
98.20576	1.5
99.00777	15.2
101.02343	34.5
102.02705	1.0
103.03901	0.7
111.69943	0.6
113.02355	24.9
114.02731	0.8
117.01853	50.2
118.02219	1.5
119.03416	22.8
125.02376	1.1
127.11230	1.0
131.03430	2.1
143.03438	5.5
143.10703	7.9
149.04477	2.1
159.02960	1.9
161.04497	17.5
163.75789	0.6
179.05577	15.2
180.05925	0.9
189.14894	4.4
235.83495	0.7
290.46997	0.7
351.20306	100.0
352.20654	11.9
391.23526	0.8
451.20963	1.4
451.28973	1.4
452.18317	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	450.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26097	0.1
57.03336	0.4
58.00482	0.4
59.01263	19.6
60.01599	2.2
61.01690	0.7
61.98714	100.0
62.02016	0.2
69.51391	0.2
69.51795	1.0
71.01268	5.5
71.04893	0.2
71.46554	0.1
72.01595	0.6
72.99191	0.5
73.02836	1.0
75.00765	0.7
81.03334	0.4
83.01262	0.5
85.02845	1.7
85.98978	0.1
86.03156	0.2
87.00751	0.5
89.02333	4.9
89.92815	0.1
90.02663	0.2
91.01711	0.1
91.02719	0.3
95.01281	0.3
98.19978	0.4
98.20555	0.2
99.00772	0.3
99.04397	0.3
99.34422	0.2
101.01708	0.2
101.02344	3.9
102.01962	0.1
102.02664	0.6
103.02751	0.2
113.02367	1.9
114.02664	0.5
115.03869	0.2
119.03408	1.6
120.03804	0.2
131.03423	0.3
133.10098	0.3
143.03340	0.4
149.04417	0.4
151.11180	0.2
160.03162	0.2
161.04488	1.6
162.04762	0.6
179.05611	0.9
180.05841	0.2
185.18115	0.2
225.35196	0.2
229.14267	0.2
253.14366	0.3
271.15268	0.5
388.20389	0.3
389.21518	0.8
390.22009	3.9
390.27820	0.2
391.22089	0.5
451.21567	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	450.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
57.03321	0.2
58.00484	0.2
59.01263	21.1
60.01598	2.1
61.01689	0.7
61.98716	100.0
62.98423	0.2
70.35529	0.3
70.35931	0.2
71.01266	4.6
72.01604	0.5
72.99208	0.5
73.01698	0.2
73.02831	0.8
75.00769	0.5
80.36685	0.1
81.03344	0.3
83.01289	0.5
85.02841	1.2
87.00777	0.3
88.98690	0.2
89.02338	4.6
90.02687	0.3
91.02745	0.2
95.01293	0.2
96.95927	0.1
97.06519	0.1
99.00777	0.3
99.04404	0.2
101.02345	3.4
101.03016	0.2
102.02666	0.6
103.02750	0.2
107.01297	0.1
113.02355	1.7
114.02700	0.5
115.03914	0.2
119.02691	0.1
119.03417	1.6
120.03770	0.2
125.02330	0.2
128.09346	0.1
131.03387	0.3
133.10191	0.2
135.04428	0.3
139.04703	0.1
143.03404	0.2
149.04507	0.5
151.00275	0.4
152.00681	0.2
153.09134	0.2
159.02931	0.2
161.04512	1.9
162.04851	0.6
163.04936	0.2
176.10304	0.1
179.05537	1.0
180.05872	0.2
187.13782	0.1
203.26819	0.1
209.15396	0.2
226.15167	0.4
227.15627	0.2
235.13258	0.1
238.26758	0.1
271.15356	0.2
287.05414	0.1
288.05820	0.2
289.20117	0.3
388.20432	0.2
389.21585	1.1
390.21973	4.6
391.23410	0.9
404.69394	0.1
450.11032	0.2
450.24362	0.2
451.21051	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	450.1991
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	0.2
57.03321	0.2
58.00484	0.2
59.01263	21.1
60.01598	2.1
61.01689	0.7
61.98716	100.0
62.98423	0.2
70.35529	0.3
70.35931	0.2
71.01266	4.6
72.01604	0.5
72.99208	0.5
73.01698	0.2
73.02831	0.8
75.00769	0.5
80.36685	0.1
81.03344	0.3
83.01289	0.5
85.02841	1.2
87.00777	0.3
88.98690	0.2
89.02338	4.6
90.02687	0.3
91.02745	0.2
95.01293	0.2
96.95927	0.1
97.06519	0.1
99.00777	0.3
99.04404	0.2
101.02345	3.4
101.03016	0.2
102.02666	0.6
103.02750	0.2
107.01297	0.1
113.02355	1.7
114.02700	0.5
115.03914	0.2
119.02691	0.1
119.03417	1.6
120.03770	0.2
125.02330	0.2
128.09346	0.1
131.03387	0.3
133.10191	0.2
135.04428	0.3
139.04703	0.1
143.03404	0.2
149.04507	0.5
151.00275	0.4
152.00681	0.2
153.09134	0.2
159.02931	0.2
161.04512	1.9
162.04851	0.6
163.04936	0.2
176.10304	0.1
179.05537	1.0
180.05872	0.2
187.13782	0.1
203.26819	0.1
209.15396	0.2
226.15167	0.4
227.15627	0.2
235.13258	0.1
238.26758	0.1
271.15356	0.2
287.05414	0.1
288.05820	0.2
289.20117	0.3
388.20432	0.2
389.21585	1.1
390.21973	4.6
391.23410	0.9
404.69394	0.1
450.11032	0.2
450.24362	0.2
451.21051	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	449.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92990	0.4
54.05470	0.4
54.49806	0.5
55.01770	1.2
57.03333	2.1
58.00481	1.5
59.01264	100.0
60.01596	1.8
61.98716	5.3
71.01270	34.4
72.01587	0.6
72.99196	2.5
73.02830	9.6
75.00758	7.3
83.01273	3.2
85.02847	13.2
87.00777	1.9
89.02342	13.5
95.01297	2.5
96.95931	0.8
97.02869	1.1
99.00772	3.9
101.02345	25.0
111.00851	0.6
113.02353	15.7
119.03404	3.9
125.02370	1.1
125.09639	2.4
129.01863	0.5
136.04121	0.5
137.02484	0.5
143.03416	2.2
159.02921	2.9
161.04500	32.8
162.04774	1.3
163.21979	0.5
179.05568	1.7
203.03456	0.5
205.03499	2.0
227.12875	0.9
227.16516	5.8
269.17581	1.4
285.03900	2.6
286.04224	2.8
287.04807	2.7
287.18698	0.9
287.22223	0.6
352.06085	0.6
389.21890	80.0
390.22214	10.0
449.10172	3.6
449.23029	6.4
449.28366	2.7
450.23578	0.7
457.77231	0.6
467.82339	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	2.1
55.53983	0.6
55.71547	0.5
57.03333	2.1
58.00502	0.7
59.01264	100.0
60.01601	1.5
61.72723	0.5
61.98718	8.7
65.00211	0.6
69.03349	0.7
69.48210	2.8
69.48629	1.8
70.69793	0.6
71.01270	32.2
72.01617	1.0
72.99203	1.4
73.02838	8.5
75.00761	3.1
81.03320	0.8
83.01276	3.6
85.02840	13.1
87.00808	1.2
89.02339	13.6
95.01302	2.8
95.01843	0.6
96.95896	0.7
97.02895	0.9
98.02428	0.8
98.19789	0.7
99.00790	4.1
101.02347	22.0
102.02699	0.9
104.12653	0.5
107.01277	1.0
113.02361	15.6
117.03389	2.2
119.03420	4.8
121.02921	0.7
122.06078	0.7
122.83554	0.7
125.02370	4.0
132.75534	0.5
133.02855	0.7
139.07605	0.5
143.03435	2.4
149.02385	1.3
150.92070	0.6
151.00339	1.4
155.10698	0.7
159.02951	3.0
161.02420	1.3
161.04503	30.5
162.04802	1.4
165.12772	1.1
179.05559	3.9
193.01413	1.6
205.03503	1.3
209.11894	2.4
209.15503	1.1
224.81334	0.6
225.15050	0.7
227.03577	0.9
227.12909	1.8
227.16513	2.2
241.64516	0.6
257.04041	0.8
258.04373	0.9
269.04483	0.9
284.03308	4.7
285.03967	11.8
286.04120	13.8
287.04630	13.1
287.15109	2.4
288.05023	1.3
389.21881	50.0
390.22214	6.6
449.10046	22.3
449.23453	3.6
450.10303	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	449.24
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78083	0.2
57.03337	0.3
59.01263	100.0
60.01596	1.3
69.69241	1.9
71.01270	5.4
73.02848	0.8
83.01276	0.4
84.39125	0.3
85.02859	1.4
87.23421	0.3
89.02345	2.3
93.71566	0.3
95.01315	0.4
98.20302	0.7
99.00792	0.3
101.02343	3.1
113.02377	1.7
119.03396	1.4
143.03423	0.6
146.12569	0.3
161.04482	1.8
170.50305	0.2
179.05594	1.0
190.27808	0.2
226.43979	0.3
229.98940	0.3
319.62155	0.3
388.60153	0.3
389.21869	4.5
390.22318	0.5
402.72565	0.3
449.24237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03355	0.4
58.00494	0.4
59.01263	100.0
60.01596	1.3
61.98720	1.8
70.07590	1.2
71.01273	7.5
72.99208	1.2
73.02843	1.4
75.00761	6.7
83.01273	0.7
85.02848	2.7
87.00779	0.7
89.02332	5.2
95.01299	0.9
96.95932	0.7
98.20182	0.8
99.00797	0.9
101.02348	4.6
113.02356	3.1
113.03084	0.4
119.03424	2.0
121.02869	0.4
139.07616	0.4
143.03462	0.8
149.04520	0.4
155.10730	1.1
159.02985	0.4
161.04480	5.6
162.01891	0.3
165.01964	0.4
179.05557	2.0
209.15543	0.4
227.16541	2.4
257.10526	0.5
259.06079	0.3
263.36566	0.3
269.14011	0.6
290.01181	0.3
389.16962	0.5
389.21924	8.9
390.22403	1.0
402.99277	0.3
403.20142	0.6
431.15622	0.5
433.21579	0.6
449.20190	8.4
450.20844	1.4
471.85092	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1509
Annotation	Suvorexant
Peak:m/z	Relative Intensity
59.01262	17.6
61.98708	1.7
62.96293	21.3
63.88780	0.6
64.98309	0.6
71.01259	1.8
75.00760	1.0
78.95792	51.3
80.96878	1.6
80.97358	30.5
84.97160	0.8
85.02869	0.6
89.02306	0.6
92.85855	0.6
96.95925	1.2
98.20564	1.7
101.02366	0.6
113.02355	1.1
129.29971	0.6
149.00017	12.0
152.99544	1.2
161.04514	1.2
179.01100	1.9
205.15941	6.7
242.98311	4.7
285.12589	1.6
286.03952	1.0
355.16827	15.7
356.17139	1.7
385.17914	21.7
386.18353	2.1
389.21945	2.2
449.15067	100.0
450.15396	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	449.2315
Annotation	Salaquinone A
Peak:m/z	Relative Intensity
59.01268	11.3
61.98716	2.1
63.46338	0.4
71.01263	0.9
71.55247	0.5
75.00771	0.6
78.95795	50.3
87.66375	0.5
89.02339	0.6
91.07205	0.5
96.96865	7.4
99.00768	0.5
99.92487	0.6
101.02342	0.9
113.02377	0.7
114.19881	0.4
116.92777	4.0
116.97141	1.1
117.01885	0.8
118.05408	0.5
146.08842	0.5
147.43590	0.4
150.97942	1.8
152.99524	100.0
153.99870	1.9
161.04498	1.1
171.00620	4.8
179.92978	0.4
184.05072	0.5
190.60435	0.5
261.20984	0.4
285.03955	0.6
286.04111	0.8
287.04626	0.7
291.63998	0.5
295.22647	0.7
367.16357	0.8
370.16190	0.6
389.21964	1.2
431.00998	0.5
443.11545	0.6
449.10004	1.6
449.23071	16.5
450.23221	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	447.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
57.33172	0.2
59.01262	3.0
70.21657	0.2
70.29108	0.2
71.01252	0.5
71.55988	0.3
78.95796	6.1
104.97402	0.3
110.98432	5.0
119.03385	0.2
152.99513	0.3
161.04515	0.2
167.01093	3.4
185.02147	3.4
190.88664	0.2
261.22202	0.3
279.23331	100.0
280.23672	11.3
284.03333	0.6
284.34378	0.2
285.04117	0.9
387.20178	0.4
438.32626	0.2
447.09210	0.4
447.25247	11.5
447.74933	0.2
448.25681	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	447.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36485	0.2
51.48245	0.2
55.01756	0.3
58.16076	0.2
59.01265	4.8
61.85431	0.2
69.24690	0.2
71.01262	0.6
71.06506	0.6
78.95792	18.3
89.02322	0.3
94.98925	0.4
104.97337	0.5
110.98436	13.4
137.00005	0.6
152.99524	0.5
167.01099	13.0
168.01447	0.5
185.02184	3.2
261.22141	0.4
279.23340	100.0
280.23679	11.6
284.03293	0.7
285.04053	1.2
387.20294	0.4
399.05997	0.3
447.09296	0.8
447.25247	23.1
448.25662	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	448.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	4.4
59.01265	58.4
60.01591	3.3
61.01691	2.3
61.98715	8.7
63.02289	5.4
64.02614	3.0
65.00215	3.6
66.00542	1.5
69.48255	6.5
71.01270	23.1
71.01662	1.2
72.01614	4.4
72.99188	4.1
73.01691	1.8
73.02844	5.1
75.00761	12.0
76.01084	1.8
77.01186	1.0
77.93891	0.9
79.17898	0.8
83.01278	3.6
84.01617	0.8
84.62074	1.0
85.02346	1.8
85.02847	30.2
86.03188	8.3
87.00758	6.3
87.03269	3.4
87.04441	1.2
88.98701	1.6
89.01194	1.9
89.02341	10.1
93.03358	2.4
95.01295	7.4
96.01630	2.3
97.01679	1.5
98.20583	1.4
99.00785	10.4
100.01098	3.8
101.01205	1.9
101.02347	7.5
103.00282	3.8
104.00587	2.0
105.00693	1.0
107.01310	7.3
108.01649	4.1
111.00799	1.0
113.02358	56.9
114.02699	23.7
115.00291	1.6
115.02782	13.4
116.03124	4.6
117.01859	3.5
117.03391	9.5
118.03702	4.6
119.03426	3.3
119.04927	6.1
120.05281	3.5
120.42520	0.9
120.80198	1.0
121.02860	1.5
125.02338	1.3
129.01880	1.3
130.87003	0.9
133.01273	1.2
133.02879	2.5
134.03242	1.9
139.00301	0.9
143.03510	1.2
149.02371	2.6
150.02701	1.7
151.00323	15.5
152.00655	6.4
153.00679	1.2
159.03166	1.1
159.04448	1.7
160.04756	1.8
161.02400	1.3
161.04596	4.6
161.05748	1.0
162.02722	1.1
169.01289	1.2
175.02460	12.8
175.03850	1.5
176.02792	5.6
177.03000	4.8
178.03363	1.3
179.05554	2.1
181.06306	1.0
182.06770	1.3
183.04451	1.5
197.05867	1.1
198.06227	1.3
199.03967	1.2
200.04529	1.2
207.13914	1.1
209.11850	1.1
225.15028	1.1
226.05876	1.3
227.03485	1.1
228.03755	1.7
255.03021	1.5
256.03439	1.4
257.04068	2.7
269.04605	42.9
269.12851	1.3
270.04947	100.0
271.05148	65.4
272.05402	80.8
273.05917	4.6
284.03305	14.2
285.03888	47.5
286.04437	47.3
286.06924	1.2
287.04880	2.0
328.05875	1.1
363.23999	1.9
387.20361	3.7
388.20694	3.8
389.21814	3.8
447.09213	1.8
448.09686	71.1
449.10220	7.6
449.19739	1.7
460.56967	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	447.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.2
57.03353	0.4
59.01267	100.0
60.01613	1.3
61.98729	0.6
69.57102	0.6
69.57529	0.6
71.01273	4.9
72.99200	0.2
73.02826	1.2
75.00783	0.2
75.13814	0.2
83.01309	0.5
85.02856	1.6
87.00789	0.3
89.02336	2.8
93.91451	0.2
98.20534	0.4
99.00796	0.5
101.02353	3.4
103.85629	0.2
105.91124	0.2
108.91016	0.2
113.02359	2.2
119.03437	1.3
123.08096	1.6
137.09714	0.4
143.03487	0.4
151.07535	0.2
153.09184	0.2
159.02985	0.4
161.04506	4.7
162.71214	0.2
163.11214	1.4
179.05589	1.6
189.12868	2.7
196.67491	0.2
207.12007	0.1
207.13892	4.3
208.14333	0.4
225.15001	1.6
285.04242	0.3
359.47791	0.2
387.20352	2.6
388.20706	0.3
431.19827	0.3
447.11398	0.3
447.22751	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14349	0.4
54.05544	0.4
55.01763	1.8
57.03330	1.3
58.00468	1.2
59.01262	73.9
60.01591	0.7
61.98712	1.4
68.99695	0.5
69.03330	1.1
70.73180	1.2
71.01266	28.1
72.99194	8.9
73.02833	14.3
74.03185	0.6
75.00758	59.4
76.01105	1.3
83.01277	5.5
85.02836	8.7
85.06464	2.8
85.33357	0.4
87.00768	7.4
88.98679	0.6
89.02338	8.9
90.98496	0.6
95.01288	2.1
97.02866	0.6
97.06487	1.4
99.00772	9.7
100.01079	0.5
101.02341	17.4
102.02682	0.5
102.20480	0.4
107.01318	0.5
109.02856	0.7
109.06536	0.4
113.02354	8.6
113.09677	0.6
114.02677	0.5
117.01833	5.6
119.03434	2.4
120.01229	0.4
121.02891	0.6
125.02382	0.9
129.01834	0.6
131.03546	0.4
132.02110	1.2
133.02878	3.3
134.03648	1.2
135.04413	1.1
143.03461	1.1
145.02919	1.5
145.06459	0.5
146.03651	1.7
147.04477	5.8
147.08066	0.7
148.05235	19.8
149.02338	0.5
149.05727	0.9
150.03140	1.2
151.00302	2.1
151.03995	0.5
153.12741	0.6
155.14355	10.6
158.03633	1.0
158.07320	0.9
159.03061	0.7
159.04443	2.3
160.01607	2.6
160.05243	2.2
161.02368	2.6
161.04526	3.6
161.06049	1.9
162.03062	0.5
163.03935	0.8
164.04570	0.5
167.85258	0.4
171.04518	0.9
172.05261	2.7
173.02423	1.1
173.06047	3.2
173.09674	0.6
174.03162	2.9
174.06775	2.4
175.00316	0.6
175.03961	4.2
175.07587	8.8
176.01106	1.7
176.04738	1.1
176.08192	0.6
177.01875	1.2
177.05544	1.0
177.09109	0.9
178.02725	0.4
179.05569	0.6
181.12328	1.3
181.15906	3.7
183.04417	0.8
185.06039	0.9
185.09694	0.4
186.06844	5.5
187.03983	1.3
187.07587	6.4
188.04813	1.1
188.08328	0.6
189.05553	3.0
189.09178	1.1
190.06357	1.0
190.09991	5.0
191.03468	2.7
191.07155	0.5
193.04927	0.6
197.05980	0.6
197.12041	0.4
199.03989	1.7
199.07687	0.6
199.13356	20.5
200.04710	2.2
200.08450	1.2
200.13780	1.2
201.05515	4.8
201.09167	7.2
202.06325	1.8
202.09628	0.9
203.03473	0.5
203.07092	6.3
204.07872	2.4
205.08649	2.6
209.11792	0.9
211.04016	0.5
211.07762	0.4
211.13481	0.5
213.05484	0.5
214.06305	4.5
215.03755	0.5
215.07097	11.4
215.08995	0.7
215.10663	0.7
216.07664	1.1
217.05208	0.7
217.08698	0.9
218.05910	0.8
218.09464	1.7
219.06552	0.6
219.10161	0.5
225.09238	0.5
225.14948	5.1
226.09790	0.4
227.03557	1.8
227.07132	0.8
228.04134	0.4
228.07930	0.6
229.05104	0.8
229.08698	6.6
230.09412	4.8
231.06660	1.1
231.10197	0.9
232.07393	7.5
233.08188	11.3
234.08699	1.2
236.03256	1.0
237.03909	0.4
243.06793	0.9
243.10419	0.7
244.11034	3.1
245.08360	0.5
246.08968	0.9
247.09755	4.7
248.10492	1.6
249.07796	0.5
249.11252	0.7
253.14320	0.5
255.03053	2.8
255.06590	3.0
256.03506	6.0
256.07233	2.0
261.11496	0.6
262.12167	1.4
269.04602	1.2
270.04935	0.7
271.05133	2.1
273.07687	4.0
274.08463	6.2
275.08893	0.8
277.07245	0.7
283.02628	1.3
283.13510	0.8
284.03256	18.5
285.04077	32.7
286.04449	3.2
288.10217	0.5
289.10770	0.5
291.08969	1.2
292.09546	0.8
299.12845	0.5
299.16382	0.6
307.08499	0.8
309.15195	1.4
311.13016	1.3
327.16034	3.4
329.14001	1.6
331.08484	0.5
332.09161	1.7
340.05518	0.5
345.17227	0.6
347.64044	0.4
353.13837	2.9
354.14453	0.5
371.15057	6.4
372.15500	1.2
387.20242	11.5
387.27945	0.5
388.20639	1.1
389.16177	6.7
390.16711	0.8
405.21335	20.5
406.21640	3.0
411.14752	0.7
429.15820	2.6
429.21024	0.7
447.09549	28.7
447.16608	7.8
447.22330	100.0
448.09702	3.7
448.17166	1.3
448.22757	13.1
448.28775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00506	0.3
59.01262	100.0
60.01597	1.3
60.73358	0.2
61.78135	0.2
61.98714	0.2
69.47407	1.4
69.47823	0.5
71.01263	4.1
72.99213	0.3
83.01283	0.2
85.02847	0.6
87.00748	0.3
89.02332	8.9
95.01302	0.5
95.04897	0.3
96.95958	0.2
98.19922	0.5
98.20576	0.4
101.02349	2.7
113.02351	2.1
118.71088	0.2
119.03413	3.2
122.16664	0.2
131.03447	0.5
138.06902	0.2
143.03453	1.1
149.04543	0.4
161.04514	1.0
179.05559	4.8
256.92395	0.3
285.04184	0.6
285.12561	0.5
382.52548	0.2
387.16806	0.3
447.10248	0.4
447.22559	1.1
448.22989	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2245
Annotation	Sachaloside I
Peak:m/z	Relative Intensity
55.01770	4.9
57.03336	5.2
58.00478	3.7
59.01262	84.0
60.01601	0.8
68.99703	0.5
69.03336	3.0
69.43301	2.0
71.01267	100.0
71.04905	0.2
72.01601	1.6
72.99194	5.7
73.02833	22.4
74.03152	0.3
75.00761	9.3
77.68745	0.2
77.90874	0.2
81.03355	1.6
83.01274	11.4
84.01620	0.3
84.02067	0.3
85.02840	32.7
85.99995	0.7
86.03176	0.8
87.00769	6.2
87.01276	0.4
87.04399	0.4
89.02335	61.7
89.26518	0.2
90.02685	0.9
95.01284	4.6
97.02846	4.7
98.19826	0.5
99.00780	10.6
99.04447	0.5
100.01694	0.2
101.02343	56.7
102.02675	1.0
107.01319	0.2
109.02874	0.4
111.00780	6.0
111.04420	0.2
112.01640	0.2
113.02352	29.1
114.02708	0.8
115.03908	1.7
117.01859	1.1
119.03415	5.2
121.02877	0.2
123.04447	0.3
125.02367	8.1
126.02717	0.3
127.03947	0.6
129.01877	1.3
131.03419	33.2
132.03761	0.8
133.02917	0.5
139.03955	0.4
141.01842	0.4
143.03436	5.0
144.03767	0.2
147.04446	0.2
149.04491	21.9
150.04848	0.6
151.00255	0.3
153.64813	0.3
159.02930	4.6
161.04497	33.9
162.04807	1.0
167.03487	0.3
173.04478	0.4
175.04056	0.3
175.07608	0.4
177.81599	0.2
179.05583	0.9
186.06741	0.3
187.06050	0.4
187.07616	0.5
190.09894	0.2
191.05568	6.8
192.05891	0.3
201.05495	0.3
201.09273	0.2
203.05566	0.4
205.03490	1.2
211.13441	0.3
215.05571	0.9
215.07358	0.3
219.13889	0.3
230.09254	0.3
232.07358	0.3
233.06656	4.8
237.14949	0.3
247.08322	0.7
256.03662	0.4
271.05182	0.3
283.13324	0.4
284.03345	4.2
285.04071	7.6
286.04477	0.7
293.08850	3.0
294.09241	0.4
297.17242	0.4
315.18170	29.0
316.18469	3.3
329.13876	0.3
353.14084	1.1
359.16980	0.5
371.15002	0.9
385.13010	0.3
387.20279	0.8
389.15991	0.5
429.15497	0.3
447.09528	6.1
447.22403	68.6
448.09717	0.9
448.22729	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28495	0.7
54.64905	0.7
55.01770	2.9
55.30301	0.7
55.68599	0.7
57.03341	2.3
58.00493	1.2
59.01265	100.0
60.01612	0.8
60.94192	0.7
61.98713	3.1
70.15170	2.6
71.01270	30.8
72.01597	0.9
72.99188	1.7
73.02841	8.1
75.00777	2.5
83.01279	3.4
85.02840	12.8
87.00774	1.9
89.02342	12.6
95.01297	2.7
97.02847	1.0
98.20471	1.0
99.00777	3.4
101.02355	17.5
104.55397	0.6
106.33665	0.7
106.35855	0.7
113.02357	12.5
119.03441	5.0
133.02898	2.7
143.03445	2.4
151.00319	1.2
159.02968	2.6
161.04514	17.5
163.11259	1.6
175.03937	0.7
179.05542	5.1
181.12309	1.2
189.12883	1.1
199.03976	0.9
207.13933	3.3
208.02724	0.7
209.77431	0.7
225.14951	7.7
256.03726	1.1
284.03293	3.7
284.53534	1.1
285.04117	23.5
286.04541	2.2
318.73364	0.7
387.20343	19.2
387.25040	1.2
388.20828	3.2
447.09546	5.2
447.22916	0.8
448.10068	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	0.4
58.00476	0.7
59.01264	100.0
59.14362	0.3
60.01597	0.7
65.56448	0.2
69.23656	0.4
69.24069	2.3
71.01268	10.1
72.99198	0.6
73.02850	1.1
75.00768	0.3
83.01283	0.6
85.02843	2.6
87.00788	0.6
89.02335	11.9
89.40591	0.3
95.01285	0.6
99.00804	0.2
101.02348	4.9
113.02354	4.1
119.03415	4.6
131.03470	0.6
143.03461	1.1
149.04549	0.4
151.00363	0.3
151.11179	0.3
159.02963	0.3
161.04506	3.3
179.05557	3.7
180.05931	0.3
195.13943	0.3
207.13969	0.3
214.15683	0.3
225.14983	1.5
284.03421	1.0
285.04071	2.0
384.05722	0.3
387.20297	4.3
388.20892	1.0
392.24826	0.3
447.09421	0.8
447.22354	1.0
448.03751	0.3
448.22833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03348	0.4
59.01266	100.0
60.01608	1.2
61.98726	0.3
69.57980	1.8
71.01274	4.9
73.02831	0.5
85.02865	1.0
89.02340	4.8
95.01286	0.4
101.02359	2.9
113.02338	1.7
119.03410	2.5
121.02904	0.4
133.02826	0.3
143.03432	0.6
159.02948	0.3
161.04538	2.1
163.06093	0.4
179.05672	1.5
189.12849	1.4
207.13898	0.7
284.03680	0.4
285.04163	1.4
287.45157	0.3
386.32858	0.3
387.20319	3.3
426.19983	0.3
447.09335	0.6
447.22629	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	1.2
57.03339	1.4
58.00479	1.6
59.01264	100.0
60.01597	1.1
70.58701	1.2
71.01267	31.7
72.01599	0.5
72.99211	1.1
73.02838	6.3
83.01267	3.1
85.02845	8.2
87.00790	1.7
89.02340	27.6
92.50233	0.4
95.01299	1.7
97.02829	0.7
99.00775	3.0
101.02345	25.5
102.02664	0.7
113.02352	15.6
119.03416	10.9
125.02361	0.8
125.83004	0.5
131.03458	1.1
138.06822	0.6
143.03456	2.7
149.04485	1.1
153.09190	3.4
159.02953	2.5
161.04504	19.2
162.04906	0.5
179.05579	5.8
207.13928	0.5
225.11546	0.5
225.14986	12.0
226.15317	1.0
301.31854	0.5
304.58511	0.6
327.05194	1.0
387.20313	59.5
388.20633	7.5
431.19229	0.7
440.67108	0.5
447.22803	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	3.0
61.98705	0.6
62.96291	1.3
71.26347	0.5
75.00788	0.2
78.95792	41.0
81.04468	0.2
96.96863	2.9
101.02330	0.3
104.48022	0.3
133.02844	0.3
148.54877	0.2
149.00029	19.3
150.00359	0.5
152.99542	0.4
158.92497	1.7
179.01106	2.4
205.14273	0.3
205.15927	1.7
227.03593	0.2
240.96744	0.6
267.11633	0.3
284.03232	2.2
285.04041	3.4
347.08353	0.7
387.20520	0.4
417.12772	0.5
431.10446	3.0
432.10846	0.5
447.13541	100.0
448.13895	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	447.1306
Annotation	Siebolside A
Peak:m/z	Relative Intensity
51.96246	0.2
54.72403	0.2
59.01259	9.4
65.00215	0.7
70.95948	0.6
71.01279	1.3
72.99180	1.8
73.02838	0.3
75.00758	20.5
80.02567	0.5
81.03364	0.4
83.01257	0.3
85.02850	0.4
87.00758	2.6
89.02325	0.6
91.01786	13.8
92.02145	0.5
93.03362	0.2
95.01292	1.0
97.06496	0.2
99.00781	2.7
101.02349	0.7
105.03316	0.2
107.01255	0.6
107.04931	0.8
108.02070	16.9
109.02901	3.7
109.68789	0.2
113.02338	0.7
115.02626	0.2
117.01840	2.0
119.03403	0.3
119.04926	0.3
121.02858	0.9
123.00787	5.5
124.01547	0.8
132.02077	0.5
133.02876	1.6
134.03661	0.5
135.00800	13.9
135.04393	0.6
136.01147	0.4
137.02374	4.0
138.35760	0.2
140.02032	0.2
145.02919	0.4
146.03639	0.3
147.04425	1.8
148.05231	9.8
149.02417	0.3
149.05598	0.5
150.03127	0.8
151.00301	0.5
152.01086	16.3
153.01500	0.8
158.03636	0.5
158.07312	0.6
159.04459	1.1
160.01584	1.0
160.05226	0.5
161.02335	0.7
161.04521	0.5
161.05933	0.3
169.06575	0.3
172.05264	1.4
173.06061	1.2
174.03163	0.7
174.06755	1.0
175.03873	1.1
175.07632	1.6
176.01215	0.3
177.01895	0.7
185.06129	0.4
186.06819	2.4
187.04005	0.6
187.07645	2.5
188.08159	0.4
189.05525	0.5
189.09097	0.3
190.02524	0.3
190.09970	0.9
191.03395	1.2
192.04178	0.3
197.06078	2.1
198.03146	0.2
199.03975	0.6
199.07556	0.6
200.04800	1.0
200.08356	0.4
201.05534	1.9
201.09187	2.8
202.06229	0.7
202.09602	0.3
203.07156	1.5
204.07777	0.5
205.08705	0.6
209.11913	0.3
211.07591	0.3
213.05528	1.4
214.06329	3.5
215.07097	9.0
216.07590	1.0
217.08762	0.3
218.05518	0.2
218.09509	0.4
219.10326	0.3
225.05515	0.4
225.09247	0.4
225.11751	0.3
225.15103	0.3
227.03494	0.5
227.07159	0.7
228.07790	0.3
229.08688	3.0
230.09448	1.6
231.06610	0.3
231.10226	0.6
232.07381	1.9
233.08183	2.7
236.03183	0.6
243.06639	100.0
244.06996	8.8
244.11070	0.8
247.09753	0.8
255.03062	1.2
255.06674	1.2
256.03403	2.2
256.07324	1.0
256.09744	0.2
269.04495	0.3
270.04984	0.3
271.05103	0.6
273.07651	0.7
274.08530	2.0
275.09183	0.3
283.02600	0.4
283.13489	0.4
284.03253	6.9
285.04062	10.7
286.04492	1.0
307.08243	0.4
309.15060	0.5
311.12881	0.5
327.16010	1.2
329.14212	0.4
332.09036	0.3
343.15387	0.3
343.78983	0.2
353.13904	0.8
371.15012	2.4
372.15356	0.4
387.10876	0.8
387.20261	0.5
389.16208	1.6
390.16809	0.3
429.15533	3.4
447.08395	8.0
447.14896	0.8
447.25989	1.3
448.09476	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	7.6
60.23037	0.8
61.05438	0.8
66.81080	0.9
69.96699	4.9
71.01263	7.6
73.02839	2.1
76.19590	0.9
80.41138	0.9
83.01284	0.9
85.02843	3.5
89.02316	1.6
96.67525	0.7
96.95887	0.8
99.00777	3.3
101.02373	3.0
106.08192	0.8
108.02079	42.6
109.02905	10.6
113.02359	3.2
120.14149	0.9
121.02866	1.2
123.00781	1.6
123.04406	1.2
139.03848	0.9
151.03935	2.3
152.01088	95.4
153.01480	4.3
161.04474	3.4
162.94421	1.1
163.03954	3.0
181.46181	0.8
184.11746	0.9
187.19504	0.9
308.90689	1.0
387.20209	1.2
447.11539	100.0
448.11978	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	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.5
60.02920	0.2
62.82191	0.2
65.00220	0.5
69.92804	1.0
71.01275	0.3
83.01254	0.5
87.01366	0.2
107.01292	1.2
112.18336	0.2
113.02367	0.3
122.31351	0.2
133.02870	6.4
133.03831	0.4
149.02377	1.3
151.00313	3.7
152.00688	0.2
175.03981	2.2
185.06087	0.2
197.06126	0.3
199.04027	1.7
201.01935	0.7
215.03642	0.3
217.04985	1.1
241.05176	1.1
243.03065	0.6
245.68703	0.2
256.03772	1.7
257.04391	0.4
284.03314	3.6
285.04105	100.0
286.04437	9.8
288.28250	0.2
422.90421	0.2
447.09412	21.9
448.09766	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	447.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	0.2
59.01260	4.2
61.98711	0.4
63.02272	0.3
65.00202	1.0
69.45950	0.9
69.46368	0.4
71.01261	0.7
73.02830	0.6
75.00739	0.9
83.01282	0.6
89.02326	0.5
93.03366	0.2
95.01302	0.2
98.20580	0.3
101.02336	0.2
105.03371	0.2
107.01286	2.0
113.02343	0.6
117.03406	0.2
121.02874	0.3
132.02113	0.2
133.02870	8.4
134.03238	0.3
136.98691	0.4
143.04919	0.2
147.79965	0.2
149.02351	1.4
151.00296	5.1
157.06451	0.2
159.82536	0.2
161.04501	0.2
165.01845	0.5
169.06523	0.3
171.04462	0.4
175.03951	2.7
177.01897	0.2
177.12901	0.2
185.06134	0.4
186.03185	0.2
187.03931	0.3
195.35526	0.2
197.06062	0.4
199.03978	2.4
200.04546	0.2
201.01874	1.0
211.03969	0.4
213.05565	0.8
215.03387	0.5
217.05055	1.5
218.05319	0.1
223.04036	0.2
227.01349	0.2
227.03513	0.6
229.05127	0.3
239.03481	0.3
240.04210	0.4
241.05103	1.0
242.02458	0.2
243.03073	0.8
255.02963	0.4
256.03754	1.1
257.04648	0.9
267.03079	0.5
269.04568	0.6
270.04993	0.5
271.05145	0.6
283.02518	0.5
284.03305	9.5
285.04086	100.0
286.04443	8.8
311.13010	0.2
327.12521	0.2
353.23761	0.2
387.20230	0.2
391.40399	0.2
425.88947	0.2
447.09406	11.3
447.22525	0.7
448.09732	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	447.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45932	0.1
59.01262	2.8
61.74184	0.2
62.49163	0.1
63.02267	0.7
65.00224	0.6
66.25311	0.1
83.01272	0.8
85.02801	0.1
101.02337	0.4
107.01295	1.6
109.02850	0.3
113.02327	0.2
121.02855	0.7
125.02451	0.2
132.02161	0.2
133.02875	2.9
134.03632	0.5
148.01660	0.2
149.02390	1.1
149.99519	0.2
151.00293	2.7
161.04504	0.3
169.01367	0.2
175.03920	1.1
182.92351	0.2
183.04431	0.3
185.06013	0.2
187.03986	0.3
188.04868	0.2
189.05586	0.2
198.03152	0.2
199.03983	1.3
200.04697	0.5
201.01866	0.6
211.03827	0.8
212.04689	0.3
213.05457	0.4
215.03522	0.2
217.04985	0.5
223.04102	0.2
225.86754	0.2
227.03467	1.1
228.04239	0.2
229.05121	0.2
239.03452	0.3
241.05034	0.4
243.03001	0.2
255.02946	1.0
256.03769	3.1
257.04272	0.4
267.03137	0.2
269.04541	0.4
283.02487	0.6
284.03311	50.8
285.04071	100.0
286.04453	9.3
286.07800	0.2
297.03961	0.5
298.04712	0.2
299.05615	0.4
327.05139	1.1
335.20181	0.2
357.66849	0.2
360.66559	0.2
387.20316	0.7
434.13513	0.2
437.21075	0.2
447.09390	66.5
448.09711	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.2
59.01265	100.0
60.01608	1.3
61.98716	1.4
62.37933	0.5
63.02295	1.3
63.58170	0.6
70.12624	1.3
70.13017	1.5
71.01271	5.3
72.99207	0.6
73.02852	1.0
75.00761	3.5
83.01259	0.8
85.02846	9.2
87.00787	1.6
89.02357	1.9
91.03896	3.8
93.23029	0.5
95.01274	2.7
96.95913	10.5
99.00775	2.7
99.04435	0.6
101.02322	0.9
103.00330	0.6
107.01303	0.9
113.02359	16.2
117.01892	1.2
117.03398	2.7
121.02890	1.2
129.01830	0.6
144.05217	0.5
149.02361	0.8
153.09155	1.2
159.04547	1.2
159.70113	0.5
161.02451	0.9
161.04527	0.8
175.02431	3.9
181.06615	0.6
183.13815	0.6
184.82034	0.5
197.11862	1.0
207.10310	0.8
209.11900	1.2
211.13480	1.8
225.05594	1.6
255.03078	2.1
269.04614	60.3
270.04865	7.0
283.02570	1.4
311.22339	15.0
312.22745	1.7
385.18753	1.3
445.07980	0.9
445.30032	1.5
446.08652	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	445.2816
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.8
57.18668	0.4
59.01264	100.0
60.01612	1.3
61.14036	0.5
61.98716	2.1
63.02287	1.6
65.00214	0.8
68.59258	0.5
69.58382	3.8
71.01263	4.6
71.01556	0.4
75.00751	2.4
78.95808	1.2
83.01291	0.5
85.02844	7.7
87.00794	1.0
89.02353	2.0
91.03915	1.7
95.01310	1.9
96.95905	3.4
99.00776	3.4
101.02366	0.8
103.00274	1.3
107.01340	1.2
113.02349	13.3
113.07304	0.5
113.23718	0.5
115.00254	0.5
117.01862	0.9
117.03381	2.7
118.41977	0.5
121.02890	1.0
129.01881	0.8
149.02437	0.8
151.00270	0.8
152.91818	0.5
152.99509	0.8
153.09149	0.6
159.04500	1.0
161.02441	0.9
161.04425	0.7
175.02452	3.0
183.04317	0.5
197.11784	0.7
211.13417	1.4
223.13397	0.6
225.05594	0.8
229.34387	0.5
255.02998	2.3
269.04599	52.4
270.04935	5.9
293.21442	1.1
311.22302	13.1
312.22812	1.5
334.87567	0.5
385.18884	1.2
445.07962	1.0
446.08731	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	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03331	2.9
58.00474	1.4
59.01263	100.0
60.01592	1.0
69.23014	4.9
71.01269	20.1
72.99192	6.1
73.02834	4.8
75.00760	10.3
82.97281	0.5
83.01289	2.1
83.04930	2.2
85.02831	5.6
87.00787	1.2
87.04398	0.6
89.02333	15.3
95.01293	1.4
97.02849	0.7
99.00790	2.0
101.02343	17.1
103.00218	0.5
109.06509	0.7
113.02344	10.0
113.03062	0.6
113.05968	0.7
119.03410	8.0
123.08064	0.5
131.03366	0.6
137.09659	0.6
143.03470	1.5
153.09164	1.4
159.02971	1.9
159.11897	0.5
161.04495	15.4
161.09700	2.0
163.11163	1.1
165.09172	1.8
177.12936	1.1
179.05554	6.0
187.11263	0.8
189.09210	1.2
205.12338	3.3
209.11931	0.7
221.11836	1.6
223.13396	13.2
224.13721	0.8
229.12326	0.5
235.13268	0.5
237.15024	0.7
239.12909	12.5
240.13306	1.0
247.13472	0.9
265.10886	5.4
265.14249	2.9
266.11475	0.6
266.14578	0.6
283.11902	14.7
284.12314	1.3
302.06305	0.5
445.16776	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	445.2369
Annotation	Mulberrofuran W
Peak:m/z	Relative Intensity
58.38720	0.3
59.01272	2.7
59.24263	0.3
70.32424	1.3
71.01260	0.8
73.02820	0.4
77.50512	0.3
78.95793	18.2
83.04896	0.3
85.02882	0.4
89.02326	0.4
94.98940	0.4
104.97383	0.7
110.98436	14.0
113.02357	0.6
150.06654	0.4
152.99487	0.5
167.01094	17.1
185.02171	3.8
193.32846	0.3
233.22806	0.5
259.20737	0.6
269.04581	3.3
270.04956	0.4
275.20349	0.6
277.21771	100.0
278.22113	10.7
401.50742	0.3
445.23697	25.7
446.24170	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	445.209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07084	0.3
51.22421	0.3
57.58453	0.3
58.00493	1.0
59.01263	100.0
60.01601	1.1
69.46495	3.2
71.01270	20.7
72.01608	0.6
72.99210	1.2
73.02840	1.7
83.01280	0.6
85.02843	3.4
86.17989	0.3
87.00784	1.0
89.02335	28.4
95.01303	1.2
98.00925	0.5
99.00793	0.7
101.02338	11.2
103.08446	0.3
110.02659	0.4
111.32905	0.4
113.02354	9.4
119.03417	9.6
131.03438	1.1
138.06761	0.5
139.07558	0.6
143.03471	2.3
149.04494	0.4
149.40576	0.4
151.07590	0.9
152.08302	1.9
153.09167	5.0
156.28502	0.4
161.04495	3.5
165.09172	0.3
172.08522	0.4
179.05565	9.6
191.18678	0.4
205.12274	2.0
208.25803	0.4
223.13406	1.5
283.12079	0.4
385.18738	3.0
445.21136	0.6
468.14197	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.5
57.03331	2.9
58.00474	1.4
59.01263	100.0
60.01592	1.0
69.23014	4.9
71.01269	20.1
72.99192	6.1
73.02834	4.8
75.00760	10.3
82.97281	0.5
83.01289	2.1
83.04930	2.2
85.02831	5.6
87.00787	1.2
87.04398	0.6
89.02333	15.3
95.01293	1.4
97.02849	0.7
99.00790	2.0
101.02343	17.1
103.00218	0.5
109.06509	0.7
113.02344	10.0
113.03062	0.6
113.05968	0.7
119.03410	8.0
123.08064	0.5
131.03366	0.6
137.09659	0.6
143.03470	1.5
153.09164	1.4
159.02971	1.9
159.11897	0.5
161.04495	15.4
161.09700	2.0
163.11163	1.1
165.09172	1.8
177.12936	1.1
179.05554	6.0
187.11263	0.8
189.09210	1.2
205.12338	3.3
209.11931	0.7
221.11836	1.6
223.13396	13.2
224.13721	0.8
229.12326	0.5
235.13268	0.5
237.15024	0.7
239.12909	12.5
240.13306	1.0
247.13472	0.9
265.10886	5.4
265.14249	2.9
266.11475	0.6
266.14578	0.6
283.11902	14.7
284.12314	1.3
302.06305	0.5
445.16776	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	445.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77819	0.5
53.66901	0.5
55.01773	1.1
57.03338	6.3
58.00482	2.6
59.01265	60.7
59.20459	0.5
60.01588	0.8
61.98743	0.5
63.02289	2.4
64.38598	0.4
65.00206	2.6
67.43555	0.5
69.03350	1.1
69.51117	2.9
69.51543	1.2
71.01268	21.2
71.04945	0.5
72.99197	28.6
73.02845	2.1
73.68087	0.5
75.00763	51.4
83.01276	2.5
83.04913	10.2
83.05376	0.7
85.02843	16.9
86.03197	0.7
87.00751	3.6
87.04426	3.4
87.47004	0.6
89.02338	11.0
93.03366	0.8
95.01295	5.1
95.04942	0.9
96.95983	0.6
99.00784	7.6
99.04447	1.6
101.02362	5.3
103.00262	3.0
107.01292	3.8
107.04971	2.0
107.08543	0.8
109.06506	1.5
113.02361	31.2
114.02734	0.8
115.00274	1.0
117.01887	3.2
117.03362	5.5
118.99761	0.6
119.03404	2.5
120.05732	2.0
125.02378	0.9
127.62737	0.4
129.01862	1.8
133.06520	1.7
135.04468	0.8
135.95483	0.5
139.00357	0.5
149.02400	1.9
149.09685	1.0
151.00313	5.1
157.01390	0.7
159.04457	2.4
161.02368	1.6
161.04488	1.9
161.09679	8.5
163.07622	1.7
163.11227	2.2
175.02425	7.2
175.11224	2.6
177.12831	2.1
179.05600	1.2
179.10641	2.7
181.06500	0.7
183.04486	1.3
185.09702	1.8
189.09183	4.2
193.12236	0.8
196.05397	0.6
197.06033	0.8
203.10727	1.3
205.12323	1.9
207.10271	2.3
209.11809	2.0
221.11880	4.2
223.09880	0.6
223.13405	4.3
225.05620	2.4
227.03542	1.0
239.12915	43.4
240.13284	3.4
241.08714	2.2
243.22485	0.7
255.03040	7.3
265.10870	24.3
266.11267	1.6
269.04611	94.6
269.65118	0.6
270.04944	10.5
276.03561	2.1
276.53690	0.8
283.02780	5.1
283.11929	100.0
284.12262	8.3
285.04269	1.1
296.03406	1.0
325.12961	4.0
341.16058	1.9
364.05151	8.7
364.55463	3.0
364.59381	0.5
365.05386	0.6
385.14627	0.8
385.18738	1.6
401.06845	2.6
445.07498	1.7
445.17203	49.6
446.08511	1.7
446.17499	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	445.1724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06343	1.1
53.63729	0.9
55.01762	1.2
57.03322	4.3
58.00477	3.2
59.01263	96.1
69.03299	1.3
70.12335	4.5
71.00901	1.6
71.01268	25.6
71.04889	2.0
72.47495	1.1
72.99194	36.4
73.02819	3.7
75.00758	65.4
77.22385	0.9
81.82863	1.1
83.01273	2.2
83.04915	14.7
85.02848	5.9
87.00774	3.2
87.04406	3.4
89.02332	21.1
95.01276	1.7
99.00771	2.8
101.02331	13.3
102.11237	1.2
103.00257	3.1
107.04925	3.4
107.08593	1.3
109.06496	2.3
113.02351	9.5
117.01861	1.3
119.03416	7.8
120.05689	2.3
121.06464	1.6
131.03355	1.3
133.06503	3.2
143.03412	1.3
147.79787	1.1
149.09637	1.6
152.04715	1.0
161.04498	4.5
161.09669	14.3
162.10107	1.9
163.07541	1.7
163.11215	2.9
165.09122	1.4
175.11237	3.2
177.12808	3.3
179.05588	4.1
185.09636	2.4
189.09164	7.2
193.12299	1.6
203.10715	2.9
205.12338	1.5
207.10229	3.5
209.11742	1.4
221.11829	5.7
223.13388	5.2
239.12906	53.7
240.13188	4.2
255.03030	2.0
265.10843	39.0
266.11102	3.0
269.04590	2.0
283.11929	100.0
284.12296	8.0
292.46744	1.0
325.12976	2.8
384.91449	1.0
385.14722	1.8
445.17197	41.7
446.08606	2.6
446.17496	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	445.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	0.4
59.01261	3.9
61.98702	0.1
63.02275	0.3
70.05766	0.6
71.00941	0.1
71.01273	1.4
72.99184	0.3
73.02838	0.3
75.00771	1.0
83.01276	0.2
85.02843	2.2
87.00775	0.4
89.02348	0.5
92.46849	0.1
95.01271	0.5
99.00769	0.8
99.68593	0.1
101.02341	0.4
103.00283	0.3
107.01279	0.3
113.02358	4.1
115.00254	0.2
117.01894	0.2
117.03385	0.9
121.02900	0.1
129.01854	0.1
135.04431	0.2
146.67680	0.1
149.02383	0.4
151.00301	0.3
156.05759	0.2
157.06520	0.1
159.04430	0.3
161.02353	0.2
161.04498	0.2
169.06500	0.3
171.04428	0.2
174.74141	0.1
175.02444	1.1
180.05777	0.2
181.04997	0.2
181.06538	1.6
183.04442	0.7
195.13853	0.1
196.05293	0.1
197.06061	1.3
198.06819	1.3
199.03880	0.1
201.05527	0.2
208.05516	0.1
209.06041	0.3
209.11790	0.4
212.23412	0.1
224.04666	0.2
225.05573	40.9
226.06226	8.5
227.06740	0.5
240.08006	0.2
241.08720	100.0
242.09062	9.3
255.03035	1.1
256.14697	0.1
269.04608	15.8
270.04929	1.5
283.02548	0.5
295.51227	0.1
313.03412	0.2
341.23322	0.1
359.24423	0.5
385.12991	1.2
401.25513	0.3
403.13931	0.9
404.14371	0.2
445.08575	0.2
445.14825	0.6
445.24280	0.7
446.08673	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	445.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.4
59.01265	3.4
63.02273	0.2
65.00168	0.2
65.18868	0.1
70.93141	0.3
71.01271	1.6
72.99189	0.3
73.02827	0.2
75.00761	0.9
83.01263	0.3
85.02364	0.1
85.02843	2.2
87.00739	0.4
89.02320	0.5
93.03344	0.1
95.01305	0.6
99.00793	0.7
101.02324	0.4
103.00246	0.3
105.03291	0.1
107.01286	0.3
113.02355	4.0
115.00280	0.2
116.06223	0.1
117.01871	0.2
117.03365	0.9
126.72762	0.1
129.01846	0.2
133.90988	0.1
149.02377	0.2
151.00327	0.2
152.49661	0.1
156.05641	0.1
159.04446	0.4
161.02339	0.2
161.04491	0.1
169.06523	0.3
171.04445	0.3
175.02449	0.9
180.05806	0.2
181.06546	1.6
182.03584	0.1
182.07103	0.1
183.04430	0.7
185.57660	0.1
197.06044	1.4
198.06862	1.2
209.06050	0.3
209.11757	0.3
213.12764	0.1
224.04784	0.2
225.05583	39.6
226.06235	7.9
227.06749	0.3
239.07207	0.2
241.08734	100.0
242.09073	8.7
255.02988	0.9
269.04617	14.8
270.04950	1.4
283.02512	0.5
336.28339	0.2
359.24506	0.3
385.12994	0.8
386.13470	0.2
401.25528	0.3
403.14008	0.9
404.14050	0.2
445.08368	0.2
445.15128	0.8
445.24222	0.8
446.08789	0.5
446.14780	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	443.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01593	1.2
61.98726	1.0
62.03426	0.4
70.01437	2.4
78.95808	1.2
89.02341	0.6
91.03907	2.0
94.06721	0.4
96.95911	17.5
99.92509	0.4
111.08098	1.1
127.03879	0.4
138.86403	0.4
150.50447	0.5
197.11827	3.8
207.10300	0.5
211.13412	0.8
217.00082	0.5
291.19788	3.5
292.20407	0.5
309.20804	8.2
310.21088	0.9
345.17313	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82876	0.4
59.01263	100.0
60.01605	1.1
61.98719	1.5
70.11990	2.2
71.01283	0.6
73.38624	0.4
75.00755	0.7
78.95819	0.5
80.47889	0.4
85.02850	0.4
89.02354	0.9
91.03894	4.0
95.93762	0.4
96.95909	4.8
98.19962	0.6
103.30917	0.4
111.08092	2.3
114.31557	0.4
121.02856	0.5
127.61904	0.4
135.04433	0.6
197.11806	5.6
197.13535	0.4
199.13286	0.4
211.13400	0.9
230.76231	0.5
263.20178	0.6
291.19705	5.0
309.20770	12.4
309.24210	0.7
310.21085	1.2
383.12488	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1571
Annotation	Hyuganoside IV
Peak:m/z	Relative Intensity
57.03333	7.0
58.00477	5.6
59.01267	80.4
70.05131	5.2
70.05544	3.5
71.01272	31.8
72.99213	9.6
73.02847	4.1
75.00771	2.7
76.37031	1.5
79.20436	1.8
81.03339	2.7
82.57318	1.6
83.01273	2.0
85.02842	19.3
87.00774	4.9
87.04415	14.3
89.02341	32.1
95.01278	3.7
95.04893	2.0
98.20572	2.0
99.00813	2.8
99.04429	5.8
101.02348	17.6
101.99496	52.4
103.00275	59.7
105.07037	2.3
107.04929	3.9
107.08566	5.7
111.04404	1.7
113.02369	12.8
113.05982	3.4
119.03409	11.8
121.06507	7.7
123.04411	5.4
125.06006	6.0
133.06502	7.7
136.05270	2.1
157.10136	3.9
161.04572	2.8
161.05873	2.2
161.09645	4.8
163.11258	9.0
167.04968	5.7
173.09683	5.3
175.07600	2.0
175.11224	21.9
177.09190	4.7
179.05557	6.5
183.08099	1.8
191.10719	12.1
192.10997	1.8
193.12335	24.9
201.09232	12.0
203.10773	2.6
207.40065	1.7
209.11671	1.8
219.10284	24.8
229.14233	1.6
237.11340	26.9
245.08115	3.8
261.11346	2.3
263.09274	20.2
281.10382	100.0
282.10730	10.4
287.09369	2.9
323.11496	3.9
381.62558	1.9
383.13104	2.0
443.15369	48.6
443.24573	2.1
444.15869	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	443.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	10.1
58.00476	5.6
59.01265	63.8
61.98709	1.6
67.45149	0.9
69.03325	0.8
69.64381	4.7
69.64793	2.6
69.99222	0.9
71.00910	1.4
71.01271	26.1
71.04887	1.9
72.03270	0.8
72.99194	8.8
73.02819	2.3
75.00749	7.6
78.95802	1.2
79.05397	1.5
81.03337	1.6
83.01223	1.0
83.04909	1.5
85.02370	1.1
85.02845	20.8
87.00768	3.2
87.04416	26.1
89.02338	23.7
93.03345	1.2
95.01270	1.9
95.04913	1.3
99.00748	3.0
99.04398	4.2
101.02347	14.6
101.99494	29.4
103.00282	45.9
105.07008	1.3
107.04906	3.4
107.08556	3.1
109.02839	2.1
111.04409	2.4
113.02354	8.9
113.05963	4.3
119.03423	7.4
121.06533	5.4
123.04448	7.9
125.06004	6.1
130.31612	1.0
133.06514	10.6
135.04382	1.7
143.03473	1.1
147.08026	1.1
155.08569	1.2
157.10135	3.4
159.08054	1.1
161.02309	1.7
161.04478	2.1
161.09610	2.6
163.11215	6.1
165.12762	1.5
167.04930	3.1
173.09666	5.4
175.10001	1.2
175.11264	16.5
177.09122	4.6
179.05580	4.6
179.10721	1.9
183.07991	1.2
189.09183	1.2
191.10724	10.8
193.12306	12.5
199.11198	1.1
201.09186	5.7
203.10738	1.9
209.11766	1.9
219.08316	1.1
219.10265	12.6
221.11852	1.2
227.12654	1.0
237.11333	21.2
238.11565	1.8
261.11292	1.3
263.09329	8.3
273.21976	1.1
281.10376	100.0
282.10724	8.5
297.07547	2.9
311.11484	1.2
317.12738	1.1
323.11374	4.3
325.07266	2.0
353.06644	6.0
365.92252	1.2
370.42688	1.1
443.09811	10.6
443.15509	60.7
444.10364	1.8
444.15924	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55045	1.3
59.01254	5.8
60.10903	1.4
71.01262	3.9
71.54656	2.2
75.00770	10.4
77.67683	1.4
85.36216	1.4
86.85070	1.6
89.02328	3.0
89.32702	1.5
94.72303	1.3
101.02325	5.4
109.02861	100.0
110.03196	2.8
113.94054	1.4
117.03397	1.3
119.04923	1.5
129.95454	1.3
133.02861	9.4
135.04446	21.7
147.04430	5.8
148.05211	2.7
149.06035	22.2
161.02394	73.1
162.02698	4.1
175.03912	4.7
178.65430	1.5
179.03458	10.7
192.04286	3.4
193.03339	2.8
193.05032	44.8
194.05464	1.7
237.04083	22.6
238.04237	1.8
323.07797	19.2
324.08133	1.8
341.10730	4.6
355.10278	3.4
399.09402	17.5
407.73843	1.5
413.93585	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	443.0843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33947	1.3
59.01265	4.3
71.01283	3.2
71.53662	1.5
71.54052	1.7
72.99212	1.7
75.00774	10.0
89.02348	5.0
94.59753	1.2
96.96803	1.2
101.02350	5.9
106.05634	1.2
109.02863	100.0
110.03183	4.8
119.03395	2.2
119.04948	2.4
133.02907	12.1
135.04449	23.1
147.04422	6.8
148.05284	2.5
149.06027	22.5
151.03998	1.8
160.01576	1.6
161.02393	73.1
162.02745	3.0
175.03949	2.4
179.03439	9.7
185.61414	1.3
192.04213	1.6
193.05038	39.4
194.05347	2.0
237.04089	18.2
240.64676	1.3
253.46159	1.6
323.07834	13.9
341.10910	4.7
355.10468	2.5
381.14548	1.4
399.09500	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	441.2
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78848	0.6
53.68823	0.7
55.01750	1.5
57.03321	1.1
58.00478	0.8
59.01262	43.6
66.87564	0.7
68.27892	0.9
70.89851	1.5
71.01269	23.3
72.99190	1.5
73.02834	9.3
75.00767	0.8
77.56836	0.7
83.01263	6.6
83.72609	0.7
85.02845	11.5
85.99978	0.7
87.00789	1.0
89.02339	4.0
91.00278	0.8
95.01294	1.4
97.02844	0.7
98.20047	1.1
99.00779	3.2
101.02341	25.2
103.03919	1.2
109.89533	0.7
113.02354	12.6
119.03445	0.8
125.02385	1.6
143.03481	1.8
159.02966	1.7
161.04495	9.7
217.37665	0.7
235.11871	51.3
236.12155	2.8
381.17722	100.0
382.18063	10.1
441.19135	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	441.2502
Annotation	9-Hydroxynerolidol-9-O-beta-D-glucopyranoside-2'-O-acetate
Peak:m/z	Relative Intensity
55.01784	0.5
56.89220	0.1
57.03329	0.4
59.01263	100.0
60.01599	0.9
69.77488	0.8
69.77901	0.3
71.01270	7.6
72.45597	0.1
72.99196	0.4
73.02830	4.3
75.00771	0.7
83.01273	1.3
85.02843	1.8
87.00777	0.4
88.85522	0.2
89.02336	3.4
93.03373	0.6
95.01299	0.5
97.02866	0.2
99.00794	0.2
101.02344	5.2
113.02351	3.4
113.03069	0.2
119.03398	1.3
125.02393	0.3
131.03447	0.4
135.04463	0.3
137.01521	0.2
137.02393	1.0
140.06267	0.2
143.03450	0.5
149.04529	0.3
150.22356	0.2
161.04485	1.1
171.10252	0.2
179.05600	0.5
336.76892	0.2
381.23026	0.4
399.23975	1.8
400.24472	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	441.1896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11335	2.5
55.01750	2.7
59.01264	54.1
61.98705	9.4
71.01260	36.1
71.56362	4.0
72.99185	8.3
73.02826	8.5
75.00755	14.4
78.26560	2.7
79.35718	2.7
83.01286	4.2
85.02834	12.0
87.00755	5.8
89.02338	16.8
90.69419	2.6
96.95914	5.2
97.02860	3.6
99.00799	4.2
101.02347	30.6
101.21929	3.0
108.11795	2.4
113.02340	12.7
118.97993	6.7
125.02414	3.6
131.03413	11.0
136.07587	4.2
139.07558	3.4
143.03481	3.3
161.02437	5.3
161.04416	5.8
174.60124	2.8
212.17931	3.1
227.13910	6.0
249.13408	21.8
279.12561	2.9
303.13321	3.9
381.17731	100.0
381.22464	3.5
382.17883	9.2
441.18912	79.1
442.18872	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	441.1907
Annotation	Go 6983 6983
Peak:m/z	Relative Intensity
59.01260	6.4
59.16961	4.4
64.40820	4.6
64.69981	4.2
64.99641	4.2
69.69127	14.6
69.69545	16.9
78.13197	4.7
91.04057	4.1
106.21635	5.1
134.60762	4.8
158.85654	4.6
196.73509	4.3
441.19135	100.0
442.19418	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	441.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01253	10.6
60.62872	3.5
70.30682	15.7
71.01223	3.4
75.00777	6.3
89.02370	4.4
93.42501	3.8
101.02323	4.1
108.02119	3.1
146.80951	4.3
441.19037	100.0
442.19003	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	439.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41188	0.3
54.64395	0.3
59.01263	100.0
60.01596	1.3
69.56749	2.6
71.01266	22.3
72.01611	0.5
73.02827	1.6
74.06701	0.3
75.00764	0.4
83.01315	0.3
85.02842	2.4
87.00785	1.1
87.04423	0.4
89.02333	0.9
99.00775	0.6
101.02348	3.4
113.02349	1.9
115.03939	0.3
115.07619	0.3
116.13886	0.3
117.05546	0.5
127.81873	0.3
143.03506	0.5
143.07095	1.0
161.04489	2.2
161.08142	6.1
187.09624	1.7
215.09239	5.0
216.09547	0.4
222.44943	0.3
248.53128	0.3
249.98802	0.3
259.11942	2.1
276.08603	0.3
277.13058	3.7
278.13470	0.4
286.83118	0.4
287.11398	0.4
305.12592	0.6
319.14008	7.2
320.14175	0.5
347.13644	1.4
385.96692	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03345	0.4
57.56968	0.3
59.01262	100.0
60.01606	0.9
61.98712	1.4
71.01266	9.3
71.57352	0.5
72.99210	0.6
73.02846	2.3
74.98995	0.9
75.00759	2.0
83.01288	1.2
85.02836	2.5
86.00002	0.8
87.00771	3.1
87.04439	0.7
88.00296	0.4
89.02326	1.8
96.79549	0.4
96.95949	1.3
97.02816	0.4
99.00791	1.2
99.04394	0.4
101.02344	4.7
101.06013	0.3
113.02336	3.1
115.07574	0.6
118.97996	6.2
129.01854	0.6
143.03429	0.5
143.07059	2.5
158.07903	0.4
159.02979	0.7
161.04465	3.3
161.08202	0.7
184.68159	0.3
187.09692	2.7
207.37505	0.3
215.09294	1.1
259.11902	1.6
277.13016	4.2
293.16208	0.8
302.45709	0.4
319.14020	13.4
320.14398	1.2
337.15277	1.6
379.16031	2.4
379.23529	0.7
439.23395	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0874
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01244	0.6
70.08331	2.0
78.95793	48.0
79.95626	2.1
81.80328	0.3
88.84354	0.4
90.87575	0.3
96.95920	93.5
96.96868	100.0
97.95838	0.4
100.24137	0.4
172.32338	0.4
195.50618	0.4
219.79628	0.4
264.75745	0.4
341.10986	0.7
399.98013	0.4
435.43692	0.4
439.08795	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	439.1748
Annotation	Globuliferin
Peak:m/z	Relative Intensity
57.03315	2.2
59.01262	39.9
61.98708	4.1
62.25427	2.1
69.47016	13.6
69.47431	3.9
71.01264	20.7
73.02826	4.5
75.00758	6.0
83.01260	3.6
85.02825	6.0
87.00767	6.1
87.73875	2.0
89.02339	7.1
96.95911	4.1
99.00767	4.5
101.02341	8.7
109.06515	3.0
113.02367	6.4
114.04661	2.4
114.05495	3.3
119.03420	1.9
129.01851	2.2
161.04446	6.9
176.96019	1.9
187.90111	1.9
191.92117	2.2
217.14377	6.8
228.15538	2.3
269.65762	2.2
307.17584	3.1
351.35483	2.4
403.19867	2.3
439.17386	100.0
440.17764	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	439.0771
Annotation	Unknow
Peak:m/z	Relative Intensity
60.35970	0.4
62.29643	0.4
66.91409	0.5
70.61807	1.1
70.62193	1.1
78.95795	18.9
79.95622	1.3
95.88165	0.5
96.95918	100.0
96.96869	51.6
97.95831	0.7
132.09731	0.6
146.43990	0.5
187.52235	0.6
267.09195	0.5
295.56418	0.7
335.89432	0.5
413.04770	0.6
435.16193	0.6
439.08826	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	439.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06916	0.3
59.01262	0.8
69.47079	1.2
69.47503	1.4
71.01276	0.3
78.95794	46.0
79.95634	1.7
96.95919	90.8
96.96864	100.0
97.95822	0.5
112.98637	0.3
263.05939	0.4
439.08716	2.5
439.14645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0769
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	0.6
71.01258	0.5
71.55039	0.5
78.95790	38.9
79.95616	1.3
96.95903	100.0
96.96848	88.7
101.02334	0.5
110.89828	0.4
111.00751	0.4
114.89394	0.3
152.96492	0.3
207.47173	0.3
439.08661	2.7
439.17010	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
59.58153	0.3
60.01599	1.0
60.13087	0.4
61.98705	0.6
71.01271	2.7
72.99250	0.4
73.02840	0.8
75.00777	1.3
83.01271	0.5
85.02868	1.6
87.00803	0.4
87.04405	35.2
88.04737	0.7
96.95998	0.4
99.00790	0.5
99.18675	0.4
101.02363	1.4
113.02403	1.0
161.04495	1.2
171.10332	0.6
180.89207	0.4
201.11383	0.5
209.11890	0.9
229.27063	0.6
233.15411	2.6
377.21790	1.3
395.20963	1.2
437.21738	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	0.4
59.01262	100.0
60.01592	1.2
61.98717	2.2
65.25508	0.2
67.15949	0.2
70.13567	0.9
71.01263	4.2
72.99217	0.6
73.02829	1.5
75.00752	1.3
77.62866	0.2
78.95770	0.2
83.01315	0.4
85.02842	2.1
87.00787	0.3
89.02331	1.6
95.01289	0.4
99.00797	0.6
101.02346	3.6
113.02351	2.4
119.03445	0.5
125.02345	0.3
131.03519	0.2
143.03493	0.4
159.03000	0.4
161.04475	1.8
161.71562	0.2
173.15413	0.4
224.33234	0.2
317.19696	2.5
335.20795	11.6
336.21387	1.0
347.65182	0.3
366.76892	0.2
377.21857	4.9
377.26376	0.3
378.22491	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92439	0.3
55.01769	4.3
57.03339	3.7
58.00483	1.7
59.01263	100.0
60.01608	1.3
60.20470	0.3
61.98705	0.9
68.99290	0.3
68.99673	0.3
69.03339	1.3
69.85120	2.0
71.01268	43.6
72.01608	1.1
72.99198	2.7
73.02835	20.5
74.03165	0.4
75.00771	2.6
81.03346	0.7
83.01275	18.2
84.01604	0.4
84.02060	0.4
85.02840	25.9
86.00006	1.5
87.00762	2.4
87.04406	0.4
89.02343	5.1
95.01269	2.8
97.02835	2.3
97.06494	0.3
98.20487	0.4
99.00769	8.0
101.02345	52.1
102.02705	1.0
103.03924	2.6
109.02813	0.4
111.00796	1.3
113.02357	17.3
114.50631	0.4
119.03419	1.1
125.02357	2.7
127.03901	0.4
127.11199	0.5
129.01863	1.3
129.12732	0.7
141.01851	0.4
143.03441	2.6
145.05020	1.1
146.06035	0.5
159.02931	4.7
161.04494	19.7
162.04861	0.6
163.06018	1.7
173.11798	0.4
195.20511	0.3
205.03528	1.2
229.07152	1.4
247.08224	1.8
255.11531	0.5
257.08209	0.4
291.18195	86.3
292.18552	7.4
335.17050	0.7
335.20865	0.7
339.90381	0.3
344.28922	0.4
377.22061	0.5
384.14136	0.3
394.21405	0.5
437.23993	38.5
438.19418	0.8
438.25113	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	435.2245
Annotation	Unknow
Peak:m/z	Relative Intensity
55.22622	4.0
57.03311	5.0
59.01262	100.0
61.98737	4.2
71.01259	39.5
71.56059	3.7
72.99194	15.3
73.02836	14.0
75.00760	16.8
83.04902	5.8
83.35344	4.0
85.02827	17.8
87.00764	9.0
89.02325	25.1
95.01253	5.1
98.20063	4.6
98.20612	4.5
99.00780	5.3
101.02328	24.0
113.02323	12.5
119.03415	8.3
123.08155	3.8
129.01849	5.1
151.11308	4.5
153.05542	5.7
161.04439	8.5
179.05579	10.0
179.64224	4.0
181.04968	4.6
211.06131	5.6
213.11302	12.9
241.14673	4.4
255.12537	7.4
290.04080	4.9
375.16620	5.8
389.21930	14.1
435.18225	19.8
435.22473	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01086	2.1
57.03309	2.6
59.01262	100.0
61.98710	4.7
64.37771	1.9
69.03344	2.4
69.37009	2.9
69.37411	19.5
71.01267	46.7
72.01614	2.5
72.99197	7.0
73.02821	11.8
74.99010	2.9
75.00763	18.0
83.01293	5.2
85.02842	18.4
87.00772	5.8
89.02335	22.0
92.73958	2.0
95.01282	2.8
96.36585	1.9
98.20134	9.1
99.00768	4.9
99.04399	2.6
101.02348	30.8
107.20174	2.1
113.02361	19.2
113.50759	1.9
118.97991	29.7
119.03407	8.6
134.04614	3.7
135.04451	2.2
143.03421	2.6
148.04031	2.8
157.08652	7.4
159.02924	5.2
161.04489	22.0
179.03371	2.2
179.05623	5.0
181.08707	2.3
199.09746	11.0
201.11322	3.9
213.11342	3.7
229.05098	4.6
253.09329	2.8
273.17377	3.3
335.12399	2.5
389.21899	55.2
390.22220	5.1
391.19891	4.6
404.71100	2.1
433.20712	2.8
435.22736	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1305
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
59.01265	9.7
61.98719	3.1
65.03862	0.4
70.43224	1.1
71.01267	2.3
72.99192	0.3
73.02842	0.7
75.00763	2.8
76.93661	0.4
80.94115	0.3
81.03358	0.4
83.01273	0.4
85.02832	1.1
88.98709	0.7
89.02338	1.1
93.03330	1.5
94.81848	0.3
98.20514	0.3
99.00800	0.3
99.48245	0.3
101.02343	1.2
107.04932	43.3
108.02083	0.7
108.05249	1.6
109.02833	1.3
113.02358	1.0
119.04943	0.3
121.02872	19.8
122.03660	28.7
123.03989	1.6
124.01582	2.4
133.02898	0.4
135.04424	0.8
136.01613	0.7
137.02376	4.6
144.40746	0.3
147.04497	0.4
150.03159	3.1
151.03952	2.5
152.01065	0.3
153.01875	0.5
154.02650	3.7
161.04585	0.5
161.06015	0.3
163.04068	0.3
182.02124	2.9
191.64958	0.3
199.13206	0.3
211.07579	0.4
217.54831	0.3
227.07176	0.7
229.08708	67.6
230.09032	5.2
231.16187	0.4
241.08751	0.6
255.06610	1.5
257.08423	0.3
271.09976	0.4
272.06790	0.8
273.07739	47.0
274.08081	4.2
279.05258	0.4
289.16629	0.6
315.08777	0.4
375.27499	0.6
393.24600	0.3
417.46320	0.3
427.74411	0.3
435.13052	100.0
435.25745	2.8
436.13376	12.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1303
Annotation	Hydrangea glucoside B
Peak:m/z	Relative Intensity
52.66906	0.6
55.01749	0.6
57.03308	0.8
59.01265	75.2
60.01603	1.8
61.01684	0.7
61.98712	5.6
62.07956	0.7
65.03813	0.6
69.92204	4.5
71.01273	7.2
72.99197	0.8
73.02838	5.4
75.00757	9.3
83.01249	0.9
85.02834	3.3
87.00765	1.2
87.04404	2.8
89.02316	2.9
90.72171	0.7
93.03355	1.3
101.01738	0.7
101.02338	5.5
107.04933	34.5
108.02106	0.9
108.05259	1.6
109.02851	0.9
113.02342	2.9
118.97982	1.1
119.03436	1.3
121.02872	14.5
121.10135	2.4
122.03662	23.3
124.01572	1.8
125.09612	1.0
129.09135	1.0
135.04427	1.5
137.02411	4.3
143.10690	1.4
145.76743	0.7
150.03177	6.0
151.03979	1.4
153.09174	1.1
154.02623	3.1
161.04550	1.4
166.71375	0.7
173.11748	1.7
182.02199	5.5
187.13370	1.5
191.03352	0.9
199.13359	3.1
209.06065	1.5
210.06807	0.8
211.07561	3.6
217.14464	10.5
227.07182	1.8
229.08713	61.3
230.09047	4.1
245.17670	0.9
255.06572	3.7
272.07025	1.6
273.07739	33.5
274.07956	3.5
289.16571	3.1
315.08859	1.3
315.25272	0.9
361.99265	0.7
374.53137	0.8
375.27600	34.6
376.27875	1.3
417.21509	1.6
435.13049	100.0
435.21576	8.1
436.13391	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	433.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.3
57.03317	0.2
59.01261	100.0
60.01612	1.0
61.98713	0.3
70.90786	0.3
70.91132	0.5
71.01263	4.2
72.99198	0.3
73.02827	1.5
75.00756	0.6
83.01299	0.7
85.02831	1.7
87.00786	0.3
89.02348	1.1
95.01286	0.4
99.00786	0.6
101.02346	3.3
113.02346	1.7
118.98035	0.6
119.03434	0.5
119.04998	0.3
125.02384	0.2
151.00282	0.5
159.02982	0.3
161.04482	3.2
170.49443	0.3
197.11761	0.5
211.04059	0.4
216.13669	0.2
222.94901	0.2
271.06079	0.5
271.15564	0.2
276.78232	0.2
313.11884	0.4
331.17801	0.5
357.34744	0.2
373.22235	6.5
373.26266	1.5
374.22910	0.9
386.10699	0.2
433.24420	0.8
433.29285	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2369
Annotation	LPA(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
57.25741	0.2
59.01264	3.2
62.96275	0.3
71.56829	0.2
78.95792	72.1
85.19021	0.1
85.38971	0.2
86.94828	0.2
87.57426	0.1
88.98234	0.2
96.96862	5.5
150.97949	1.8
152.99521	100.0
153.99852	1.6
171.00580	2.7
189.25742	0.2
209.88666	0.2
210.64989	0.1
279.23358	1.4
433.23660	15.9
434.23929	1.9
435.32700	0.2
448.61917	0.2
457.06506	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	433.2453
Annotation	Dictamnoside I
Peak:m/z	Relative Intensity
55.01765	0.6
57.03341	1.6
58.00475	0.6
59.01265	100.0
60.01605	1.7
61.01665	0.5
61.98722	3.1
69.03357	0.7
71.01271	17.5
71.04919	0.9
71.59282	0.6
72.99194	1.8
73.02841	3.2
75.00761	3.8
77.10085	0.4
83.01271	2.2
83.04915	1.0
85.02846	5.5
87.00797	1.3
87.04427	1.0
87.51482	0.5
89.02334	7.8
89.02846	0.6
95.01269	1.3
97.02824	0.6
97.06529	0.8
99.00234	0.4
99.00774	2.2
101.02343	10.7
102.02650	0.4
109.02901	0.6
109.06532	0.6
111.08069	1.1
113.02362	6.3
113.32539	0.5
119.03407	4.0
127.11214	1.8
129.83910	0.4
130.95909	0.4
131.03484	0.7
133.02876	1.4
134.03625	0.5
137.09636	0.5
139.11198	0.6
143.03421	1.0
146.46471	0.5
147.04416	0.9
148.05229	0.7
152.99702	0.5
153.12775	0.5
155.10728	2.4
159.02960	0.6
161.02380	0.4
161.04500	3.6
163.03999	0.5
163.11206	0.7
179.05611	1.2
179.49535	0.4
183.17502	2.4
188.82507	0.4
191.03500	0.6
191.61133	0.5
211.07632	1.4
227.16531	30.3
228.16930	2.6
241.05042	2.6
242.05412	0.6
253.18106	2.2
256.07532	1.5
257.08005	0.8
261.43427	0.4
270.55502	0.6
271.09726	2.8
271.19238	1.3
283.02127	0.5
329.23450	0.6
333.09958	0.6
347.24561	2.5
373.22336	7.3
373.26321	0.4
374.22830	1.2
389.25613	1.4
415.23465	1.3
433.24463	69.3
434.19519	0.8
434.24857	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91016	0.2
51.16854	0.2
55.01776	0.2
57.03333	0.3
59.01264	100.0
60.01604	1.3
61.98719	0.6
71.01273	3.4
71.04929	0.2
72.99188	0.4
73.02832	0.9
75.00763	0.4
83.01316	0.3
85.02831	1.1
87.00800	0.3
89.02338	2.0
95.01330	0.3
97.06512	0.2
99.00790	0.4
101.02348	2.4
113.02351	1.1
119.03420	0.9
119.04938	0.2
125.90326	0.2
143.03435	0.2
151.00381	0.2
161.04451	1.0
166.00002	0.2
174.77626	0.2
179.05612	0.7
197.11839	0.3
223.68988	0.2
269.04172	0.3
270.04477	0.6
271.06149	0.8
315.08795	0.2
331.17722	0.7
373.18445	0.4
389.18240	0.2
415.27377	0.5
433.10919	0.8
433.21030	2.0
433.28290	3.7
434.21539	0.4
434.28488	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71380	0.2
57.03349	0.4
58.00487	0.3
59.01267	100.0
60.01600	1.2
68.42527	0.2
70.14073	1.0
71.01275	5.2
71.04936	0.3
72.99218	0.5
73.02852	1.1
75.00743	1.2
81.03345	0.4
83.01301	0.6
83.04929	0.8
85.02853	1.6
87.00793	0.7
87.04411	0.3
89.02338	3.6
93.45635	0.2
95.01290	0.5
96.95947	0.3
98.19762	0.3
99.00779	0.6
99.04424	0.4
101.02359	3.2
109.06526	0.4
113.02348	2.3
115.03931	1.2
119.03403	1.5
119.04905	0.2
123.08099	0.5
143.03401	0.5
143.04977	0.3
151.00339	0.2
160.58456	0.2
161.04475	1.3
166.02725	0.3
178.61813	0.3
179.05476	0.5
191.03444	0.3
207.15149	0.3
209.15584	0.3
219.63312	0.2
227.07275	0.5
253.08771	0.5
253.14491	0.7
257.04562	0.4
271.06320	0.5
271.15707	0.5
271.19266	0.3
285.04178	1.0
301.20493	0.3
331.17761	0.4
373.18762	0.6
387.20493	0.9
433.10855	0.4
433.15369	0.6
433.20996	4.3
433.25565	0.8
433.31781	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	433.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	0.5
59.01264	100.0
60.01601	1.7
61.98714	0.4
63.97660	0.2
71.01268	2.3
72.99188	0.6
73.02847	1.0
75.00764	2.8
78.95818	0.3
80.60171	0.2
83.01270	0.5
85.02838	1.2
87.00755	0.4
87.04389	0.3
89.02354	1.2
92.61529	0.2
95.01286	0.5
97.06506	0.6
98.02398	0.3
101.02345	1.5
109.02903	0.4
109.06500	0.3
111.76351	0.2
113.02382	1.0
116.75337	0.2
119.03445	0.4
121.02805	0.2
125.09586	0.3
135.04425	0.2
147.04465	0.3
152.99641	0.4
161.02359	0.3
161.04582	0.7
178.57324	0.2
180.13330	0.2
184.02303	0.4
185.11774	0.3
187.13480	0.3
191.03510	0.4
197.11841	1.0
203.19336	0.2
209.11890	0.2
216.13753	0.5
224.74861	0.3
243.16257	0.2
244.83508	0.2
259.13828	0.8
301.20612	0.3
329.26703	0.3
331.17737	0.4
332.11627	0.3
355.25223	0.3
373.18726	0.6
373.26135	3.0
389.16425	0.4
391.27170	0.7
433.15750	0.4
433.23721	2.4
433.28915	1.3
434.25244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73827	0.7
55.01791	0.7
57.03339	2.2
58.00476	1.2
58.91675	0.8
59.01266	100.0
60.01605	1.4
69.63636	2.9
69.64072	3.1
71.01273	18.6
71.04918	3.7
72.01637	0.8
72.99215	3.8
73.02853	5.9
75.00764	15.7
75.46204	0.8
81.03349	1.5
83.01280	2.2
83.04919	1.1
85.02855	6.2
87.00786	1.8
87.41052	0.8
89.02348	14.8
95.01299	1.2
97.02864	1.9
97.06496	2.7
99.04459	1.3
101.02350	13.1
107.01308	1.2
107.04913	0.9
113.02378	8.2
115.03927	15.8
119.03437	6.5
119.04923	1.4
123.04443	1.0
125.02343	1.6
135.97209	0.8
138.17395	0.8
143.03522	1.7
147.11761	0.8
151.00288	2.4
161.04520	3.0
175.03766	0.8
179.05573	4.0
197.11821	1.9
209.15477	3.6
241.10712	1.3
253.14453	6.7
254.14923	1.0
266.29047	0.9
268.03839	1.0
270.04446	2.2
271.02982	0.7
271.06119	4.3
271.15472	5.0
272.06808	0.9
313.07333	0.9
313.16595	1.0
315.98282	0.9
387.20291	0.9
433.11200	2.4
433.16837	1.8
433.20972	24.0
433.26611	1.5
434.21094	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	431.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81685	0.1
57.03339	0.4
57.27866	0.1
58.00480	0.2
59.01265	100.0
59.90854	0.1
60.01595	1.2
61.98715	0.2
70.70791	0.1
70.71137	0.4
71.01271	4.6
72.01606	0.1
72.96451	0.1
72.99200	0.4
73.02834	0.9
75.00758	0.8
77.96783	0.1
83.01286	0.3
83.04922	0.1
83.38383	0.1
85.02841	1.1
86.72589	0.1
87.00795	0.3
87.04414	0.2
88.95984	0.1
89.02338	4.3
95.01284	0.3
97.02878	0.2
97.06530	0.1
99.00803	0.3
99.49863	0.1
101.02345	2.7
113.02364	2.1
115.03899	0.1
119.03426	1.8
119.21770	0.1
125.02351	0.1
129.01836	0.1
131.03423	0.4
131.21658	0.1
137.02386	0.1
143.03455	0.6
149.04535	0.2
159.03001	0.2
161.04517	1.9
169.59189	0.1
179.05586	1.3
179.10907	0.1
184.85803	0.1
187.09718	0.7
195.10300	0.2
200.14165	0.1
205.12256	0.1
223.13460	0.4
269.04752	0.5
285.04056	0.2
306.08771	0.1
308.22122	0.1
311.05786	0.4
350.82343	0.1
371.20871	0.6
431.10016	0.5
431.19119	0.4
431.23862	0.6
433.76520	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	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43721	0.1
55.01776	0.5
57.03337	0.5
58.00481	0.2
59.01265	100.0
60.01598	1.2
61.98725	0.2
71.01272	7.8
71.56561	0.2
72.99192	0.5
73.02840	1.7
75.00770	0.5
83.01279	0.9
84.63155	0.2
85.02846	2.4
87.00786	0.4
89.02338	3.9
95.01299	0.6
96.88581	0.2
96.95927	0.4
97.02851	0.2
99.00786	0.8
99.04443	0.2
101.02345	4.8
107.01280	0.2
109.02850	0.3
113.02367	3.3
119.03428	1.8
131.03482	0.3
135.04439	0.3
140.13719	0.2
143.03444	0.8
151.00308	0.5
159.02965	0.7
161.04500	5.0
165.12766	0.3
171.04582	0.2
179.05566	1.0
183.10236	0.2
193.53203	0.1
205.03639	0.2
209.11810	0.2
209.15425	0.5
227.07185	0.2
239.03455	0.4
240.04288	0.3
244.85722	0.2
251.16675	0.2
258.15857	0.1
267.03223	0.2
268.03824	8.0
269.04440	2.6
269.17740	0.2
270.04785	0.2
283.06216	0.2
284.03363	2.4
284.06396	0.1
285.04034	1.3
311.05682	0.3
341.06848	0.2
345.26361	0.2
371.20810	7.5
372.21240	0.9
431.09906	9.1
431.22510	3.2
431.27844	0.2
432.10318	1.3
432.23074	0.3
447.93777	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	431.2296
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03354	0.2
59.01263	100.0
60.01605	1.5
61.98716	0.2
67.45457	0.1
70.70110	0.5
71.01269	3.5
72.99207	0.2
73.02844	0.6
75.00766	0.4
83.01278	0.3
85.02843	1.1
86.21626	0.1
87.00776	0.3
89.02335	4.0
95.01300	0.3
96.95942	0.2
99.00772	0.4
101.02347	2.4
102.02676	0.1
113.02359	1.9
119.03409	1.7
130.40968	0.1
131.03441	0.2
143.03445	0.4
149.04550	0.2
159.03004	0.1
161.04501	1.3
175.03966	0.1
179.05573	1.2
187.09752	0.3
223.13460	0.2
232.44774	0.1
282.74576	0.1
311.05634	0.3
371.20953	0.3
431.10037	0.2
431.18820	0.4
431.23456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
57.03341	0.5
59.01263	100.0
60.01596	1.3
63.91734	0.2
69.42581	1.6
71.01266	5.5
72.01613	0.2
72.99226	0.3
73.02469	0.3
73.02824	1.3
75.00770	0.5
76.79347	0.2
79.13908	0.2
83.01299	0.6
85.02835	2.1
87.00775	0.4
89.02337	2.7
89.02850	0.3
95.01286	0.4
95.45918	0.2
99.00795	0.7
101.02342	4.5
109.07610	0.2
113.02359	3.1
119.03412	1.6
127.90967	0.2
143.03439	0.5
151.00334	0.2
159.02985	0.5
161.04504	4.3
165.12810	0.7
179.05652	0.7
183.10245	0.3
191.14372	0.5
205.12173	0.2
209.15521	0.5
240.04283	0.2
255.02965	0.3
268.03815	3.0
269.04623	0.9
284.03381	0.6
285.04111	0.3
293.17780	0.3
339.34573	0.2
371.20834	5.2
372.21255	0.6
393.12802	0.2
431.09988	3.0
431.22632	1.9
432.10376	0.3
432.22961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23683	0.2
55.01771	0.4
57.03330	0.6
58.86478	0.2
59.01264	100.0
60.01601	1.4
70.52102	0.5
71.01269	8.9
73.02835	2.8
83.01279	0.5
85.02850	2.8
87.00763	0.3
89.02339	4.8
95.01298	0.5
99.00762	1.4
101.02343	6.5
113.02353	4.2
113.03078	0.4
119.03419	2.6
143.03481	0.7
159.02943	1.4
161.04501	11.2
162.04892	0.4
179.05516	1.5
203.57581	0.3
209.15526	1.1
213.89403	0.3
231.64729	0.3
239.03487	0.3
240.04358	0.5
268.03790	5.9
269.04559	2.7
276.49133	0.3
371.20804	9.2
372.21277	1.1
431.09924	7.4
431.23041	0.7
432.10413	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	431.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	0.3
57.03341	0.5
59.01263	100.0
60.01596	1.3
63.91734	0.2
69.42581	1.6
71.01266	5.5
72.01613	0.2
72.99226	0.3
73.02469	0.3
73.02824	1.3
75.00770	0.5
76.79347	0.2
79.13908	0.2
83.01299	0.6
85.02835	2.1
87.00775	0.4
89.02337	2.7
89.02850	0.3
95.01286	0.4
95.45918	0.2
99.00795	0.7
101.02342	4.5
109.07610	0.2
113.02359	3.1
119.03412	1.6
127.90967	0.2
143.03439	0.5
151.00334	0.2
159.02985	0.5
161.04504	4.3
165.12810	0.7
179.05652	0.7
183.10245	0.3
191.14372	0.5
205.12173	0.2
209.15521	0.5
240.04283	0.2
255.02965	0.3
268.03815	3.0
269.04623	0.9
284.03381	0.6
285.04111	0.3
293.17780	0.3
339.34573	0.2
371.20834	5.2
372.21255	0.6
393.12802	0.2
431.09988	3.0
431.22632	1.9
432.10376	0.3
432.22961	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2211
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
58.75354	0.1
59.01258	1.0
62.96283	0.3
70.33268	0.6
78.95792	53.6
80.66632	0.2
83.91564	0.1
92.05671	0.1
96.96861	6.1
106.17716	0.2
147.12935	0.1
150.97983	1.5
152.99529	100.0
153.99857	1.9
171.00592	4.0
171.02069	0.2
268.04059	0.2
277.21841	0.9
353.70544	0.2
381.72720	0.2
431.22098	7.7
431.31558	0.3
432.22501	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	431.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58138	0.2
58.19474	0.2
59.00995	0.3
59.01265	3.5
62.96290	0.3
63.05529	0.1
70.01206	1.0
71.01257	0.3
78.95793	71.4
87.51619	0.1
96.96864	6.0
97.87675	0.2
98.19875	0.2
100.05183	0.2
101.75814	0.2
150.97971	1.6
152.99524	100.0
153.99861	1.7
158.44893	0.2
167.64708	0.2
171.00604	2.7
268.03836	0.3
277.21756	1.3
324.07715	0.2
338.33469	0.2
371.20767	0.5
431.22125	14.2
431.31772	1.1
432.22443	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	431.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	2.9
58.00483	2.4
59.01263	100.0
61.98713	2.0
69.66127	3.3
69.66533	10.0
71.01266	67.2
71.67533	1.9
72.01599	2.1
72.99197	7.0
73.02834	4.8
75.00754	6.9
83.01264	3.2
83.04915	3.4
85.02837	13.1
87.00774	9.3
87.53395	1.7
89.02333	92.1
95.01299	6.4
99.00784	2.8
101.02343	36.0
102.01858	3.6
113.02347	28.6
115.03926	3.8
119.03416	34.5
122.76766	1.7
123.04439	7.1
129.01859	2.2
131.03401	6.2
131.77728	1.7
137.02298	2.8
143.03464	11.1
149.04446	4.2
152.08311	2.4
153.09129	4.0
161.04510	20.4
163.05998	2.5
179.05560	68.8
191.10689	2.4
205.12303	2.6
207.13919	2.8
223.13419	2.8
225.06114	6.2
227.07167	6.2
241.04764	2.3
251.12741	2.3
268.03833	19.0
269.04495	11.5
269.10245	3.1
385.18808	8.6
431.09726	14.0
431.19635	31.8
432.22937	2.4
435.12143	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98405	1.1
55.01752	1.6
57.03312	3.1
58.00467	2.6
59.01262	76.2
60.93478	1.4
69.03334	1.4
69.34769	13.0
71.01265	39.0
72.99203	8.8
73.02835	21.9
75.00749	3.3
83.01261	7.2
83.04881	1.3
85.02433	1.5
85.02840	16.5
87.00297	1.3
87.00773	8.6
87.04397	3.4
89.01830	2.1
89.02333	25.7
93.03322	3.7
97.02845	2.3
99.00788	6.5
101.02346	45.1
103.03901	12.3
105.03349	2.7
113.02354	8.8
115.03880	4.5
116.39994	1.3
119.03446	8.0
123.04434	92.2
124.04704	2.7
125.02342	2.9
127.03869	2.3
131.03377	5.2
137.02338	1.7
141.27800	1.3
143.03432	8.6
145.04950	3.7
147.04419	1.8
147.30014	1.3
158.60471	1.3
161.04358	3.2
163.06076	40.9
179.05550	2.2
191.10727	1.6
195.10219	2.0
205.07155	7.5
207.10074	1.3
240.04266	1.8
265.09171	3.1
268.03824	24.1
269.04596	15.6
269.10229	5.1
285.09866	21.1
325.11282	1.8
431.09747	20.7
431.15341	100.0
432.10016	3.6
432.15659	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	431.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00955	0.5
59.01264	100.0
60.01611	1.4
70.88637	1.0
71.01280	2.2
73.02839	0.5
74.81002	0.6
75.00768	0.6
76.14983	0.4
76.29183	0.5
77.35370	0.4
85.02863	0.7
87.00844	0.6
89.02355	1.7
96.95924	0.5
101.02362	1.9
101.60783	0.5
113.02370	0.9
123.03236	0.8
138.05533	9.9
161.02354	2.4
176.04784	1.9
179.03484	3.7
179.22705	0.5
184.83476	0.5
191.07132	0.9
194.05850	6.8
209.08183	17.1
209.62971	0.5
210.08548	1.1
246.96861	0.5
268.39709	0.6
276.55356	0.6
400.92001	0.5
431.16010	1.6
432.15436	1.1
439.49075	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	21.7
60.00057	0.6
61.98732	0.6
69.03323	0.9
70.07871	2.0
71.01266	3.5
72.99172	0.8
73.02798	0.9
75.00740	1.9
77.03848	2.6
79.01762	1.5
83.04875	0.5
85.02813	1.4
89.02311	2.1
93.03363	3.0
98.20477	0.8
101.02321	2.4
107.01293	0.8
111.08030	0.8
113.02331	1.7
117.03374	9.9
119.04929	1.4
121.02826	2.6
123.04448	0.7
125.02372	1.2
133.02892	0.6
133.24686	0.6
135.00826	0.8
135.04462	3.3
145.02867	0.9
147.04398	1.0
149.02322	2.5
151.00314	1.7
159.04440	2.5
161.02379	5.5
161.04475	1.1
163.00284	0.6
163.03987	4.2
163.11218	0.6
165.01857	0.9
166.02676	5.7
167.03398	1.6
175.03896	0.8
176.82893	0.6
177.01888	0.8
181.02608	0.6
183.04378	0.5
183.08076	0.8
185.06038	0.7
191.03438	1.8
195.04480	0.6
197.06012	1.1
203.03441	1.6
211.07657	0.9
215.07114	0.9
217.10713	1.2
225.11472	1.1
227.07158	4.7
228.07408	0.6
238.06020	0.6
239.07104	1.8
253.05029	0.9
267.27393	0.6
268.03909	4.3
269.04639	4.2
269.10413	5.7
281.04584	5.0
282.05414	3.3
283.06171	61.1
284.06433	6.1
285.04156	1.8
293.04593	2.9
295.06085	2.3
309.04236	1.0
311.05664	100.0
312.05991	11.3
314.04385	1.2
323.05624	5.7
324.05981	0.7
341.06696	12.5
342.06870	1.8
353.06625	1.2
371.09854	3.4
413.08875	0.9
413.21991	0.9
431.09915	64.3
431.19327	2.8
432.10294	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	431.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	13.5
60.01596	0.7
61.01674	0.4
65.00199	0.5
70.15990	1.7
70.53900	0.3
71.00947	0.3
71.01271	3.8
72.99181	0.9
73.02831	1.6
75.00756	1.7
77.03859	3.3
78.73790	0.4
79.01767	2.3
81.03342	0.6
83.01251	0.9
85.02834	1.1
86.71412	0.4
87.00784	0.5
89.02341	2.4
93.03343	2.7
95.01241	0.6
96.95899	0.4
97.02852	0.6
101.02368	2.5
105.03345	0.9
107.01270	0.8
109.06351	0.4
113.02346	1.5
117.03367	13.6
118.03706	0.5
119.03459	0.6
119.04912	1.6
121.02887	3.5
123.04448	0.3
123.08076	0.4
125.02362	0.5
131.03355	0.4
133.02844	0.6
135.00789	0.6
135.04427	2.7
137.02376	0.7
142.78412	0.4
143.03391	0.5
143.04956	0.8
145.02856	0.8
149.02386	2.5
151.00287	0.6
159.04463	3.4
161.02386	5.7
161.04463	1.1
163.00298	1.3
163.03947	4.8
163.06055	0.5
165.01848	1.7
169.06523	0.5
173.02327	0.4
173.06058	0.8
174.01743	0.5
175.00253	0.4
175.03996	0.5
179.03506	0.7
179.05457	0.5
183.04471	1.2
183.08076	0.7
185.06023	0.9
191.03441	1.3
193.01382	1.0
196.05157	0.8
197.06087	1.9
199.04099	0.6
201.05670	0.4
203.03484	0.6
205.12196	0.4
209.06102	0.8
209.08017	0.5
211.07578	1.8
215.07137	0.8
224.04764	1.0
227.07150	8.2
228.07489	0.9
230.23221	0.4
237.05553	0.5
238.06409	0.7
239.07133	3.2
240.04362	0.4
241.04973	0.6
245.81702	0.4
251.12938	1.4
253.05040	1.0
254.05962	0.5
268.03876	3.5
269.04562	6.2
270.04861	0.5
281.04617	8.4
282.05292	5.7
283.06165	65.8
284.03583	0.4
284.06482	6.8
285.04126	1.4
293.04614	2.6
295.06204	4.2
296.06537	0.9
309.04297	0.9
311.05664	100.0
312.06000	10.3
314.04440	1.0
323.05685	7.8
324.06046	0.9
325.07303	0.6
341.06702	20.7
342.07031	2.6
353.06665	1.4
413.08893	1.7
428.96280	0.4
431.09912	69.9
431.19345	3.3
432.10226	9.7
432.19128	0.6
441.32489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19136	0.3
52.93528	0.2
59.01265	100.0
60.01600	1.3
61.98716	0.8
71.36842	0.5
71.37179	0.3
73.02872	0.3
78.95819	0.4
80.53499	0.3
89.02358	0.4
89.37209	0.3
91.03907	2.0
114.91969	0.3
115.90742	0.2
124.01612	0.6
125.09641	0.3
129.11230	0.3
195.13954	0.9
241.47282	0.3
245.12013	0.3
264.25882	0.3
276.98322	0.2
277.21869	0.9
295.22849	10.3
296.23315	0.9
332.16306	1.4
334.57263	0.3
370.00073	0.3
392.74716	0.4
429.22922	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.099
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
59.01259	1.0
63.02272	0.8
65.00213	0.5
70.12981	0.6
81.25615	0.2
83.01270	0.9
105.03391	0.2
107.01289	1.8
115.22053	0.1
117.03364	1.7
121.02834	0.3
148.01602	0.3
149.02379	1.3
149.99501	0.5
151.00298	3.1
159.04344	0.2
169.01334	0.2
171.04512	0.9
172.05255	0.7
183.04504	0.4
184.05229	0.4
195.04495	0.6
196.05283	0.8
198.03192	0.2
199.03951	0.4
200.04680	0.8
201.05432	0.4
211.03963	1.4
212.04698	0.6
216.95428	0.2
224.04697	0.2
225.05565	0.4
227.03345	0.3
239.03506	3.2
240.04286	4.0
241.04626	0.4
267.02991	1.7
268.03802	100.0
269.04477	31.2
270.04907	2.5
281.04538	0.2
282.93512	0.2
283.06152	0.4
311.05679	1.1
362.14908	0.2
431.09885	68.1
432.10220	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	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74190	0.2
55.62902	0.3
58.00484	0.4
59.01265	100.0
59.44280	0.3
60.01603	1.1
71.01267	9.7
71.33972	0.4
72.01610	0.3
72.99183	0.6
73.02843	0.9
75.00773	1.0
83.01282	0.6
83.85701	0.2
85.02840	1.7
87.00781	0.7
89.02338	15.1
90.02698	0.5
95.01299	0.4
96.95940	0.6
101.02348	5.6
113.02355	5.2
113.28761	0.3
119.03415	5.3
120.92768	0.3
121.06570	0.3
131.03464	0.9
135.04544	0.3
137.09679	1.3
143.03412	1.5
149.04567	0.6
152.01089	0.5
161.04512	1.7
179.05571	3.9
179.07018	0.4
223.13493	0.9
267.12427	2.0
330.59299	0.3
429.10046	0.5
429.21790	0.6
429.44138	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01603	1.0
61.65188	0.2
61.98718	0.5
70.15623	1.3
71.01292	0.3
85.06503	0.5
89.02341	0.6
89.10752	0.3
91.03902	2.6
96.95939	0.8
98.20448	0.3
99.81315	0.3
104.06417	0.3
109.18607	0.4
111.84023	0.3
115.96676	0.3
195.13934	0.9
231.78447	0.4
277.21893	1.2
295.22845	14.6
296.23157	1.4
331.23029	0.8
332.16483	0.8
429.30344	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	429.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	2.9
57.03328	3.2
58.00473	0.8
59.01263	100.0
60.01611	1.0
61.98722	0.5
65.48576	0.4
68.99718	0.5
69.03338	1.4
71.01268	31.8
71.04879	0.6
71.56902	0.6
72.01599	0.4
72.99203	2.7
73.02834	11.1
73.51808	0.4
75.00761	8.2
83.01273	6.5
83.01726	0.6
85.02837	19.1
85.99991	1.2
86.03191	0.5
87.00774	1.9
89.02330	9.1
89.02842	0.7
95.01269	2.1
97.02856	1.3
97.06492	0.6
97.53675	0.4
99.00764	5.1
101.02344	26.3
108.02068	0.7
111.00779	0.7
113.02351	13.5
116.45006	0.4
119.03404	3.5
125.02377	1.0
135.04527	0.5
143.03423	1.2
152.01067	1.1
155.25951	0.4
159.02940	1.3
159.04340	0.8
161.04492	6.1
172.05238	2.3
173.06006	0.8
175.07674	0.6
179.05591	1.9
183.04454	0.6
185.06071	0.9
186.06816	1.3
187.07617	1.5
196.05296	0.5
197.05997	1.1
198.02884	0.4
199.03920	0.4
199.07664	0.5
200.08351	1.1
201.05481	0.7
201.09201	3.2
202.09398	0.4
211.03967	0.8
211.07544	0.6
213.05505	0.6
214.06337	0.9
215.07179	2.9
215.10738	1.1
225.05753	0.5
225.09203	1.2
226.09863	0.5
227.03545	0.7
227.07050	0.6
227.10663	0.5
229.08769	1.0
243.06612	0.6
243.10286	1.1
244.11107	1.9
251.10767	0.4
252.07718	0.6
253.08711	1.2
255.06558	0.9
255.13847	0.7
256.07367	1.3
268.10950	0.4
269.15704	0.6
281.08551	0.4
287.09164	0.5
288.10114	0.8
313.14398	0.5
313.18152	0.7
323.16568	0.7
325.14590	0.6
327.16000	0.9
331.08292	0.5
332.09131	0.7
343.21280	8.5
344.21606	0.7
348.85443	0.5
353.14063	3.7
354.14218	0.4
357.17151	0.8
367.15195	0.7
369.18820	2.5
369.23123	0.5
371.15057	1.2
385.16830	2.4
387.20346	5.9
387.28265	0.5
429.21310	94.3
430.15875	0.7
430.21674	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	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.4
57.03342	1.0
58.00471	0.6
59.01263	100.0
59.04650	0.2
60.01603	1.0
61.98723	0.5
63.28856	0.2
66.94704	0.3
69.35572	0.3
71.01268	14.2
71.04920	0.3
71.56602	0.4
72.99180	1.7
73.02838	1.8
75.00760	5.8
76.24084	0.3
83.01299	1.1
85.02834	2.9
87.00786	1.6
89.02335	17.3
90.02687	0.3
95.01278	0.9
96.73853	0.3
96.95895	0.4
97.02827	0.3
99.00793	0.8
99.04401	1.4
101.02351	7.7
105.76469	0.3
108.02093	2.3
109.02862	2.5
109.06505	0.3
113.02361	6.7
119.03408	6.3
122.06010	0.4
124.01530	0.3
131.03426	0.7
135.04469	0.6
137.09654	1.5
143.03441	1.8
149.04614	0.6
149.06018	0.8
150.05598	0.3
152.01086	2.7
161.02422	0.7
161.04501	2.4
161.09724	0.6
161.13344	0.6
163.11275	0.9
170.90929	0.2
179.05563	3.6
180.05991	0.3
182.77237	0.3
187.07689	0.4
187.11227	0.4
189.09218	0.3
189.12859	0.3
191.03482	0.6
192.04292	0.3
193.05089	0.9
205.12352	0.7
207.13928	0.3
223.13393	4.4
224.13760	0.5
225.09346	0.4
227.07072	0.3
229.12465	0.5
239.07239	0.3
249.11424	1.1
267.12454	3.0
283.13446	0.6
285.03976	0.3
311.12863	0.8
325.16687	1.2
327.12515	0.8
328.23920	0.3
343.21628	0.3
353.13895	1.4
354.14679	0.3
369.19229	1.6
371.15216	0.5
385.13156	0.6
385.22726	0.4
387.20401	1.2
429.10568	2.0
429.16049	0.5
429.21930	1.9
429.26859	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	429.2138
Annotation	Dehydroradiosumin
Peak:m/z	Relative Intensity
55.01767	2.9
57.03328	3.2
58.00473	0.8
59.01263	100.0
60.01611	1.0
61.98722	0.5
65.48576	0.4
68.99718	0.5
69.03338	1.4
71.01268	31.8
71.04879	0.6
71.56902	0.6
72.01599	0.4
72.99203	2.7
73.02834	11.1
73.51808	0.4
75.00761	8.2
83.01273	6.5
83.01726	0.6
85.02837	19.1
85.99991	1.2
86.03191	0.5
87.00774	1.9
89.02330	9.1
89.02842	0.7
95.01269	2.1
97.02856	1.3
97.06492	0.6
97.53675	0.4
99.00764	5.1
101.02344	26.3
108.02068	0.7
111.00779	0.7
113.02351	13.5
116.45006	0.4
119.03404	3.5
125.02377	1.0
135.04527	0.5
143.03423	1.2
152.01067	1.1
155.25951	0.4
159.02940	1.3
159.04340	0.8
161.04492	6.1
172.05238	2.3
173.06006	0.8
175.07674	0.6
179.05591	1.9
183.04454	0.6
185.06071	0.9
186.06816	1.3
187.07617	1.5
196.05296	0.5
197.05997	1.1
198.02884	0.4
199.03920	0.4
199.07664	0.5
200.08351	1.1
201.05481	0.7
201.09201	3.2
202.09398	0.4
211.03967	0.8
211.07544	0.6
213.05505	0.6
214.06337	0.9
215.07179	2.9
215.10738	1.1
225.05753	0.5
225.09203	1.2
226.09863	0.5
227.03545	0.7
227.07050	0.6
227.10663	0.5
229.08769	1.0
243.06612	0.6
243.10286	1.1
244.11107	1.9
251.10767	0.4
252.07718	0.6
253.08711	1.2
255.06558	0.9
255.13847	0.7
256.07367	1.3
268.10950	0.4
269.15704	0.6
281.08551	0.4
287.09164	0.5
288.10114	0.8
313.14398	0.5
313.18152	0.7
323.16568	0.7
325.14590	0.6
327.16000	0.9
331.08292	0.5
332.09131	0.7
343.21280	8.5
344.21606	0.7
348.85443	0.5
353.14063	3.7
354.14218	0.4
357.17151	0.8
367.15195	0.7
369.18820	2.5
369.23123	0.5
371.15057	1.2
385.16830	2.4
387.20346	5.9
387.28265	0.5
429.21310	94.3
430.15875	0.7
430.21674	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	429.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16640	0.4
53.20463	0.4
55.01776	0.5
57.03328	4.9
59.01263	100.0
60.01597	1.4
61.32118	0.4
61.98733	0.7
67.89559	0.4
69.03320	0.7
71.01270	10.6
72.99208	1.1
73.02850	2.7
75.00760	18.7
83.01280	0.6
85.02837	2.9
87.00774	1.5
89.02335	2.8
95.01299	0.8
96.95924	1.7
97.02850	0.5
97.06558	0.5
99.00780	0.9
99.04438	0.4
101.02343	5.6
108.02097	1.6
109.02884	0.9
109.06555	0.4
113.02354	3.7
119.03429	1.0
121.06543	0.5
121.65806	0.5
137.09698	1.1
143.03424	1.2
148.90186	0.4
149.09677	0.5
152.01096	2.8
155.10806	0.6
159.03041	0.9
161.02444	0.5
161.04500	8.4
187.07631	0.6
189.12921	0.6
192.11504	2.3
193.05026	0.4
207.13895	21.2
208.14253	1.3
211.07631	0.7
213.05486	0.5
215.07072	0.5
215.10832	0.5
222.06911	0.6
225.05585	0.7
225.09229	1.4
225.14986	0.7
229.09084	0.5
229.68709	0.5
237.09361	0.6
239.07123	0.7
239.10922	0.8
240.07832	0.4
241.12399	0.5
250.10068	1.0
251.07176	0.8
251.10883	1.6
253.08755	0.8
254.09473	0.6
255.06604	0.5
255.13972	1.7
256.07523	0.6
256.14539	0.5
256.81113	0.5
265.09140	0.4
265.12433	1.0
267.06750	0.4
269.08325	0.8
269.11816	0.5
279.10379	1.1
279.13913	0.6
280.07547	0.4
280.11191	1.2
281.17865	0.7
282.09082	0.6
283.13516	1.9
284.10562	0.7
297.15100	1.2
299.13202	1.0
309.14963	2.4
311.09680	0.5
311.13043	2.1
323.16788	1.0
324.09988	0.8
327.12451	2.2
327.16138	1.4
341.17719	2.0
343.25055	1.4
353.14017	10.2
354.14566	1.1
367.15497	0.8
371.15161	1.6
385.12860	2.0
411.14746	2.3
429.10464	1.4
429.15732	2.5
429.21426	2.8
429.26740	2.2
430.16403	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17578	0.2
52.08767	0.2
59.01258	0.7
65.19466	0.2
86.63625	0.1
98.19849	0.5
98.87543	0.2
99.92479	4.5
100.92557	0.3
100.93258	2.9
115.91984	100.0
116.91991	5.8
116.92775	5.9
117.92532	0.2
124.21228	0.2
130.94299	0.2
132.92265	1.1
172.95427	5.2
173.95467	0.3
255.23344	0.7
339.26907	0.2
355.15869	0.4
371.15274	0.3
381.17386	0.7
385.55792	0.2
411.18430	0.3
429.19531	5.6
430.19824	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06343	0.2
54.09680	0.2
55.01766	0.8
57.03341	1.0
58.00480	0.6
59.01266	100.0
60.01597	1.3
61.98716	0.3
64.21189	0.2
65.76240	0.2
69.03360	0.4
70.10904	0.7
71.01272	16.8
71.04914	0.2
72.01625	0.2
72.99200	1.1
73.02835	6.2
75.00765	3.1
81.03354	0.3
83.01276	3.0
83.04931	0.3
85.02846	5.2
87.00771	1.3
89.02339	8.6
90.02734	0.3
95.01273	1.4
97.02864	0.4
99.00764	1.6
99.04429	0.4
101.02348	11.6
102.02710	0.2
104.39596	0.2
108.02112	0.5
109.75481	0.1
111.00860	0.2
113.02361	7.1
114.02753	0.2
117.03490	0.2
119.03423	3.5
125.02393	0.6
131.03452	0.7
135.04468	0.2
137.09650	0.2
143.03444	1.5
147.11848	0.2
149.02428	0.2
151.11275	0.5
152.01143	0.8
157.08684	0.5
159.03001	0.6
159.84087	0.2
161.04503	4.9
168.10309	0.2
179.05577	1.8
195.13873	0.3
203.05576	0.2
205.03540	0.2
205.12381	0.6
207.13971	0.6
209.11952	0.4
212.13242	0.2
225.14958	2.9
226.15413	0.2
247.93532	0.2
261.02563	0.2
267.13208	0.2
267.16034	1.3
283.12006	0.5
285.04178	0.3
287.22592	0.1
293.66022	0.2
305.17453	0.2
321.17075	0.3
351.18088	0.2
369.19260	5.9
370.19714	0.7
387.20334	16.6
388.20639	2.1
413.18427	0.3
429.10431	0.4
429.21585	2.2
430.24039	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	429.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	0.8
57.03334	2.3
58.00488	0.8
59.01261	100.0
60.01599	0.9
60.11310	0.2
69.03333	0.9
70.91132	0.6
71.01266	19.7
71.04916	0.6
72.99207	1.2
73.02837	4.9
75.00756	3.6
83.01276	2.5
83.04932	0.9
85.02836	6.0
87.00761	4.7
87.01273	0.3
89.02330	7.8
89.14565	0.2
95.01261	1.4
95.04910	0.4
95.41607	0.3
96.95927	0.6
97.02858	0.3
97.06493	1.3
99.00790	1.6
99.04410	0.6
99.24756	0.2
101.02342	10.5
107.04925	3.5
108.02114	0.5
109.02885	0.4
113.02351	8.8
119.03392	2.7
120.05714	1.2
125.02365	0.4
125.06035	0.2
130.46011	0.2
132.05795	0.3
135.04433	1.1
137.62093	0.2
141.05507	0.2
143.03409	1.2
144.10504	0.2
146.07289	0.4
147.08116	0.3
152.01114	0.6
152.04738	0.6
157.06622	0.3
157.10263	0.3
159.02934	1.1
159.08182	0.6
159.11740	0.6
161.04498	8.2
161.05836	0.4
161.09668	5.5
161.13316	3.0
162.04913	0.3
162.10013	0.5
163.11208	2.8
172.08914	0.4
179.05539	1.1
181.08675	0.2
181.12361	0.4
185.13306	0.4
187.11249	8.9
188.11636	0.8
189.09178	3.4
203.10864	0.8
205.12294	3.3
205.14043	0.3
207.10220	1.6
207.13936	1.1
211.07625	0.3
223.13385	32.5
224.13684	2.1
225.09290	0.3
225.15059	1.2
229.12498	0.8
231.10402	0.4
239.07196	0.3
247.13542	0.3
249.11340	2.7
250.11841	0.2
254.09421	0.3
255.13971	0.3
265.14642	0.3
267.12415	44.9
268.12750	4.2
283.02692	0.3
283.13638	0.5
291.12625	0.5
309.13730	1.0
311.13052	0.8
325.16635	2.4
327.12582	0.6
327.16217	0.3
339.15054	0.3
341.17725	0.4
343.17938	0.9
351.18329	0.4
353.14059	1.1
369.15558	0.4
369.19406	1.9
385.12994	0.4
387.20279	5.8
388.20963	0.6
429.10434	0.4
429.17490	3.1
429.22284	8.6
430.17554	0.4
430.22147	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	429.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30640	0.8
57.03333	3.2
57.28495	0.7
58.00476	1.6
59.01263	100.0
59.05205	0.7
60.01591	1.3
65.95961	0.7
69.03344	0.7
70.28374	1.9
70.28774	1.0
70.67187	0.6
71.01274	16.6
71.04916	1.2
72.99202	1.7
73.02842	3.5
75.00755	3.5
83.01275	2.8
83.04919	1.3
83.34029	0.8
85.02831	4.3
87.00759	7.1
89.02337	13.8
95.01312	1.7
95.04905	1.0
97.06516	2.3
98.20489	0.8
101.02339	7.2
103.03910	1.2
107.04939	6.3
108.02063	1.5
113.02364	7.4
119.03415	5.2
120.05727	3.7
125.02334	1.6
126.74870	0.8
133.06447	0.7
135.04431	1.8
136.99666	0.7
142.73393	0.7
143.03479	1.2
145.10214	0.8
152.01138	2.9
152.04718	1.1
157.06508	1.0
159.08130	1.9
159.11740	1.4
161.04520	1.6
161.09674	15.0
161.13303	7.2
162.10092	0.8
162.13608	0.7
163.11230	1.9
179.05621	1.6
181.43327	0.8
187.11255	22.8
188.11635	1.5
189.09164	9.0
190.09480	0.9
203.10806	2.4
205.12320	6.9
207.10329	3.6
223.13396	77.0
224.13739	6.4
229.12305	1.7
231.10159	1.6
249.11409	7.0
267.12418	83.4
268.12793	7.8
291.12610	2.0
309.13538	2.4
352.16614	0.8
353.14600	0.8
369.15683	1.5
415.60513	0.8
429.11301	1.2
429.17712	11.0
429.23236	1.6
430.18326	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	429.0833
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
55.01765	0.3
57.03337	2.3
58.00467	0.3
59.01262	19.0
63.01972	0.4
63.02273	3.4
65.00196	1.9
67.01768	0.4
68.99706	0.4
69.35417	1.7
71.01268	7.3
72.99193	1.7
73.02843	1.0
73.80293	0.2
75.00758	6.4
79.93427	0.2
83.01287	0.7
84.02059	0.4
85.02839	19.5
86.03181	0.5
87.00771	2.9
89.02328	1.6
95.01280	5.6
98.20579	0.4
99.00777	7.3
101.02336	0.7
101.03863	0.2
103.00270	3.0
107.01295	2.1
108.02116	0.2
109.48892	0.2
111.00818	0.2
113.02351	34.3
114.02676	0.9
115.00296	1.3
117.01118	0.3
117.01849	2.5
119.04918	0.7
121.02872	0.3
129.01843	1.5
139.00330	0.3
143.04970	2.7
145.02884	1.0
147.02890	0.2
151.00302	0.6
152.01086	0.3
157.01381	0.6
165.07050	0.6
167.04918	0.5
171.08052	0.2
175.02429	7.8
180.05809	0.5
181.06555	1.0
185.06015	0.6
187.03839	0.2
197.06064	0.3
209.06052	2.9
211.03972	0.6
215.07111	0.3
225.05501	0.3
226.06325	0.4
253.05078	100.0
254.05417	8.1
281.08313	0.2
283.13315	0.3
295.06195	0.3
309.14911	0.3
324.10193	0.3
325.23874	0.7
327.16061	0.5
353.14108	1.3
369.22815	0.6
429.08310	1.2
429.15604	0.5
429.25034	0.8
444.84448	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	428.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	0.3
59.01260	12.3
60.01603	0.7
60.99177	0.3
61.98713	0.7
62.41356	0.3
69.03372	0.4
69.37569	3.1
71.01266	1.1
71.04910	0.7
72.98780	0.7
72.99192	14.9
75.00760	82.5
76.01097	0.9
78.10425	0.3
87.00737	0.3
93.99497	0.3
97.06493	0.8
99.00800	0.8
101.02352	0.4
111.08062	0.9
113.02345	0.6
113.09697	0.4
114.09155	0.7
115.07553	2.9
135.04358	0.4
137.09669	0.4
144.60870	0.3
147.04495	0.4
156.10251	5.0
158.11800	5.9
159.04488	1.4
161.02486	0.4
169.12285	2.7
171.04535	0.4
171.10207	1.7
172.05237	1.5
173.06111	0.5
175.07565	0.7
183.04463	0.5
183.13902	0.8
186.06874	1.2
187.04033	0.5
187.07635	2.1
191.03441	0.5
193.12498	0.4
196.05280	0.4
199.04047	0.5
199.07608	0.9
199.13368	1.0
200.04716	0.7
200.08377	1.2
201.05580	0.6
201.09174	3.3
203.07120	0.6
205.55429	0.3
211.04001	0.4
211.07535	0.4
211.13371	1.7
213.05603	0.3
214.06314	0.8
215.07123	3.6
215.09079	0.7
215.10857	0.6
223.07813	0.4
225.09219	1.0
226.09991	0.5
227.03380	0.4
227.07094	0.5
229.08705	1.6
241.14612	0.4
243.10323	1.7
244.11110	1.5
255.06668	0.9
255.13907	0.4
256.07413	1.0
257.08228	0.4
269.04315	1.3
269.13925	0.8
270.04892	1.4
287.09402	0.7
287.15051	0.7
288.10107	0.8
309.15027	0.5
327.15982	0.5
330.19299	1.9
332.09055	0.6
341.13992	0.4
353.13995	2.2
371.15054	0.7
385.16824	0.7
424.22812	0.3
428.07648	1.6
428.26608	100.0
429.15512	2.1
429.26938	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	428.2661
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.4
59.01265	4.5
63.80323	0.2
71.01275	0.3
71.04896	1.1
71.44785	0.2
72.99194	16.3
75.00760	84.3
76.01122	0.7
79.06441	0.3
87.00768	0.8
97.06490	0.8
99.00774	0.4
101.02354	0.2
110.06082	0.3
111.08099	0.5
113.09634	0.3
115.07571	3.3
123.08080	0.4
127.11220	1.6
139.07564	0.4
146.03668	0.4
151.11137	0.4
152.01178	0.3
156.10225	3.2
157.08652	0.8
158.11800	3.1
159.04482	1.2
169.12285	2.8
171.04477	0.3
171.10210	2.5
172.05234	1.9
173.05974	1.2
173.09602	0.3
174.06789	0.4
175.07631	0.5
185.06003	1.2
186.06789	1.3
187.03911	0.5
187.07622	2.6
187.09528	0.5
196.05266	0.6
197.05984	0.6
198.03021	0.4
199.04182	0.3
199.13338	0.8
200.04770	1.5
200.08353	1.3
200.12875	0.6
201.05592	0.6
201.09154	4.0
202.06253	0.5
203.07109	0.5
211.07594	0.6
211.13394	1.0
212.08394	0.3
213.05475	0.3
214.06322	2.3
215.07161	8.7
215.09209	0.9
215.10924	0.4
221.83084	0.3
225.09166	1.4
225.18585	0.7
227.03471	0.6
227.07124	0.8
228.07935	0.4
229.08774	2.2
230.09602	0.3
231.10251	0.6
241.08707	0.3
243.06602	0.4
243.10255	1.9
244.10970	1.5
255.06642	1.2
256.07431	1.7
269.13956	0.4
287.09149	0.8
287.15076	0.6
288.10114	0.7
327.15924	0.5
330.19318	2.2
332.09195	0.6
341.14148	0.6
353.14050	0.8
428.26587	100.0
429.15707	2.2
429.26941	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	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01590	0.8
61.98708	1.0
63.15332	0.4
65.56203	0.5
68.80116	0.6
70.26029	1.7
78.89729	0.4
96.14764	0.5
98.74916	0.4
110.26126	0.4
112.91215	0.4
140.15405	0.4
293.21313	6.9
294.21707	0.7
328.73401	0.6
330.05661	1.3
330.27197	0.6
367.13470	0.6
367.25244	0.6
441.65854	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01604	1.3
61.98715	0.9
71.01286	1.3
71.18680	0.2
72.37639	0.3
72.99194	0.3
78.95800	0.3
82.41811	0.3
89.02344	0.5
91.03888	2.1
94.92467	0.2
95.04930	0.3
96.95957	0.3
99.92476	0.4
109.72192	0.3
118.86821	0.2
118.89886	0.5
135.90323	0.3
163.07570	0.3
171.10295	0.8
174.41995	0.3
195.13882	0.4
223.13380	0.3
229.30011	0.3
275.20270	2.1
293.21295	10.2
294.21771	1.2
311.22327	3.3
312.22681	0.3
413.61694	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01601	1.2
61.60126	0.3
61.98707	0.5
64.06010	0.3
69.81819	0.3
70.80537	0.6
70.80877	0.7
71.01301	0.4
74.73740	0.3
78.95834	0.3
79.23910	0.3
86.83557	0.3
89.02328	0.6
89.96665	0.3
91.03909	2.9
97.46899	0.3
171.10318	0.5
191.84602	0.3
195.13834	0.4
240.06491	0.3
275.20303	1.4
293.21286	10.5
293.24500	0.6
294.21683	1.0
311.22412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28431	0.2
55.01763	0.5
57.03333	2.1
58.00483	0.6
59.01263	100.0
60.01326	0.2
60.01589	1.3
62.87040	0.2
69.03347	1.5
69.67847	0.9
69.68251	0.4
71.01267	14.9
72.99197	1.6
73.02835	8.0
75.00764	3.2
81.03352	0.4
83.01276	2.5
83.04910	0.7
85.02838	4.7
85.99994	0.4
87.00764	1.8
89.02336	3.8
95.01305	1.1
97.02882	0.5
98.19930	0.3
99.00786	1.4
101.02346	7.8
102.02636	0.2
105.87858	0.2
107.04932	1.0
109.02869	0.4
111.00786	0.4
111.08096	0.6
113.02357	4.6
118.99785	0.6
119.03416	1.4
121.02901	0.6
123.04386	0.2
123.29323	0.2
125.02383	0.6
129.01869	0.4
131.03455	0.5
133.02847	0.3
135.04472	0.7
135.08142	0.2
137.02351	0.4
137.09673	0.8
143.03360	0.4
147.04448	0.2
148.05295	0.3
149.02374	0.5
151.11270	0.5
151.62500	0.2
153.12808	0.6
161.02383	0.7
161.04475	1.8
161.09717	0.7
163.03993	0.4
163.11234	10.0
164.11626	0.5
165.09137	1.6
165.12791	0.4
166.09935	0.2
171.08080	1.0
173.09705	0.3
177.09258	0.3
177.12837	0.3
179.10774	0.6
181.12300	23.0
182.12627	1.6
187.11234	3.1
189.12817	3.3
189.14247	0.3
190.09952	5.1
190.13077	0.2
191.03458	0.3
191.10370	0.4
203.05618	0.3
203.10855	0.2
204.11603	0.6
205.12323	5.9
206.12706	0.6
219.10451	0.2
223.13437	1.9
229.12206	1.0
231.13959	0.5
247.13458	1.6
259.13580	0.3
349.16708	0.6
367.17593	1.3
368.17877	0.3
385.18875	0.4
427.19919	1.0
428.26730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48458	0.3
56.01335	0.3
56.06501	0.3
59.01266	100.0
60.01601	1.3
61.98727	1.0
62.24404	0.3
65.00198	0.3
70.63712	0.3
71.01276	1.2
71.56582	0.6
72.99200	1.9
73.02820	0.4
75.00761	4.8
78.95827	0.4
83.04933	0.4
85.02895	0.4
93.03368	0.4
96.95944	0.4
100.77494	0.3
109.02856	0.5
113.02348	0.5
118.99787	0.8
119.04969	0.4
121.02875	39.5
122.03240	1.3
133.02919	0.8
135.04442	0.8
137.02426	0.8
148.05293	0.7
149.02388	0.7
161.02434	1.1
165.01901	0.5
166.02725	0.4
191.03574	0.4
223.09767	0.4
303.71964	0.3
427.19336	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.0893
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	11.9
61.98710	3.1
70.06800	2.9
70.07215	4.4
71.01262	4.1
72.99197	1.2
73.02834	1.9
75.00770	13.6
84.42356	1.1
85.02866	2.2
98.19950	1.9
101.02344	2.5
105.58457	1.3
108.02076	1.8
109.02861	100.0
110.03133	2.7
118.99791	1.4
125.58626	1.2
132.02092	6.5
133.02850	4.5
135.04434	12.0
143.46907	1.2
147.04428	3.4
149.06027	9.3
160.01602	19.0
161.02409	26.8
170.61731	1.3
175.03938	2.2
179.03456	4.5
192.04326	1.9
193.05025	9.5
235.11916	3.3
237.04028	2.3
255.08771	19.9
307.08298	57.3
308.08746	5.9
325.09311	4.2
339.10956	14.3
340.11380	2.1
367.16220	1.7
381.17664	3.4
383.09933	16.5
384.10175	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2554
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26714	0.7
59.01265	100.0
59.23611	0.7
60.01593	0.8
61.98722	2.4
63.76982	0.7
66.01500	0.8
70.55576	1.6
70.55938	1.6
71.01277	3.9
71.82560	0.7
72.99191	1.4
75.00762	0.8
78.95811	0.8
92.92729	1.3
115.00307	0.8
124.85722	0.8
135.04503	1.2
135.81067	0.7
152.97574	0.6
171.10329	0.8
284.36185	0.8
291.19702	5.8
298.19473	0.8
309.20773	10.8
310.21259	1.1
316.90677	0.8
394.39511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
59.38679	0.5
60.01609	1.2
61.98717	0.9
71.01280	1.5
71.58473	0.6
72.34924	0.5
73.45779	0.4
75.00806	0.8
78.95800	0.5
92.92702	0.8
96.95912	0.6
104.57746	0.4
113.76649	0.4
115.92026	0.6
191.44298	0.4
222.71298	0.5
289.35608	0.4
291.19705	4.3
309.20779	4.1
310.21231	0.7
425.30545	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01254	3.3
67.05408	2.5
69.26813	8.7
71.04912	10.2
114.09158	1.2
121.39371	0.7
125.02365	0.8
130.08659	15.3
147.84029	0.8
186.14934	6.4
194.11835	1.9
212.12825	1.8
225.15163	0.9
230.13986	100.0
231.14375	6.8
252.53613	0.8
425.27097	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01606	1.3
61.98723	1.5
69.03362	0.5
69.68623	1.2
69.69040	1.5
71.01271	23.9
72.01601	0.5
72.99184	0.5
73.02837	2.6
74.02342	0.5
75.00766	2.2
83.01291	1.4
85.02850	3.5
85.61433	0.5
85.99992	0.5
87.00809	1.5
89.02340	1.9
95.01301	0.5
96.95918	0.5
97.02898	0.7
99.00784	0.9
101.02348	6.7
101.06028	0.6
101.96971	0.4
103.03946	0.4
104.18698	0.3
113.02361	2.6
125.02411	0.7
132.90315	0.4
139.66782	0.4
143.03522	0.5
147.06564	7.1
159.02989	0.6
161.04510	3.0
173.08223	1.6
177.01910	2.5
187.07761	0.4
201.05879	0.3
201.07690	5.8
201.61594	0.4
221.34203	0.4
231.10304	0.4
245.10512	1.5
263.11462	3.2
279.14618	3.4
291.10947	0.9
293.10229	0.5
305.12421	6.6
306.12952	0.9
333.12149	1.6
425.20645	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	425.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73053	2.2
59.01267	23.9
61.98713	6.2
69.86055	14.4
78.95786	3.8
80.91584	4.5
96.95902	11.4
97.02869	2.3
98.19804	3.8
108.19239	2.5
109.02854	2.4
116.97147	3.8
123.04436	2.3
125.09698	3.7
135.08110	4.2
171.10222	2.8
179.10678	2.3
185.11716	4.0
189.15012	2.6
191.14268	2.3
207.10092	11.5
243.10023	2.4
245.19136	3.8
247.09392	4.9
249.38524	3.1
260.10300	3.6
289.18161	12.6
307.19208	14.3
311.16336	5.0
329.17392	66.0
330.17471	4.9
365.15009	100.0
366.15405	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	425.1957
Annotation	Broussoflavan A
Peak:m/z	Relative Intensity
55.26169	1.2
59.01266	100.0
61.54583	1.3
61.98709	3.2
62.81446	1.3
71.01263	10.3
71.03972	1.8
71.04311	3.0
72.99178	2.0
73.02843	3.3
75.00762	22.6
84.09965	1.3
87.00784	1.7
88.78233	1.3
89.02329	5.4
96.95904	1.8
97.57360	1.4
99.00770	2.8
101.02347	4.5
103.71571	1.3
109.38045	1.2
113.02346	5.4
130.54385	1.4
149.04462	1.7
161.04514	3.2
168.55019	1.4
175.07626	1.7
190.99449	1.3
203.12724	1.4
229.04967	1.4
245.10310	1.7
263.11264	1.9
275.09238	2.5
305.12497	3.5
328.39896	1.5
365.18457	1.8
425.19647	21.0
426.19510	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	425.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01257	5.0
61.98712	0.5
65.03841	0.3
71.01259	0.8
73.02823	0.8
75.00760	1.6
83.01312	0.3
93.03355	54.6
94.03693	1.6
97.06469	2.0
98.20663	0.4
101.02342	0.3
109.02820	0.3
113.89808	0.2
121.02862	0.3
135.04427	0.5
137.02371	100.0
138.02699	3.9
148.05228	0.6
161.02440	0.5
187.07622	0.4
187.09328	0.2
191.03529	0.3
192.04285	0.4
201.08987	0.3
203.07043	0.2
214.80693	0.2
215.07188	0.6
229.17065	0.4
263.13019	0.8
346.75403	0.3
425.14789	0.9
426.25052	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2526
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
65.50015	0.3
67.12615	0.3
71.33381	0.6
73.03686	0.3
76.23830	0.3
78.95792	15.3
79.07243	0.3
104.97324	0.4
105.16067	0.3
105.24052	0.3
110.98441	11.5
111.92346	0.3
126.21026	0.3
134.98479	0.4
136.99994	0.4
144.99228	0.3
167.01100	11.2
183.49773	0.2
185.02193	2.5
191.32735	0.3
216.28593	0.3
255.23332	100.0
256.23669	9.2
267.54825	0.3
342.24799	0.3
423.25262	22.4
424.25577	3.3
427.38809	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	15.5
61.98708	3.0
69.03337	2.5
70.90981	0.8
71.01242	1.6
71.58607	0.8
71.59059	1.2
72.99203	0.9
73.77367	0.9
80.91542	1.1
83.04913	1.5
84.02063	7.4
95.04922	6.2
97.02839	7.4
97.06486	16.2
98.06803	1.0
99.04418	2.3
99.92479	1.2
109.35457	0.8
111.78086	0.8
115.21951	0.7
119.08564	1.1
125.09614	1.3
128.03580	0.8
135.04402	1.8
135.08064	1.0
149.13377	1.0
163.11288	1.0
165.08879	1.0
165.12794	2.4
171.10214	22.0
175.11217	1.0
183.13837	1.3
185.11879	1.1
189.05331	1.8
191.03465	1.5
193.08440	21.4
193.10228	1.6
193.10594	1.3
193.12263	14.9
194.08788	1.9
194.12630	1.0
211.13345	4.3
215.10535	10.9
219.09993	1.1
225.14969	25.5
226.15254	1.9
231.09900	1.0
232.10783	5.5
233.11569	7.3
239.12903	0.9
243.15999	8.9
247.13226	3.0
249.09975	1.1
251.11375	1.4
253.14467	1.6
259.09595	2.7
261.11078	1.5
264.09839	29.8
265.10104	1.6
265.14297	2.7
279.12247	9.8
291.73767	0.9
294.10757	1.1
309.13229	5.4
331.17569	1.7
341.23380	100.0
342.23798	11.3
345.20462	4.7
346.20966	1.1
363.21063	23.1
364.21216	2.7
407.20535	5.0
423.23734	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	423.1884
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47734	0.4
51.86141	0.3
57.03320	0.7
58.40449	0.3
59.01263	31.2
60.01627	0.4
61.32540	0.3
61.98703	0.8
69.61334	1.9
70.02864	0.4
71.01270	3.9
71.04914	0.7
72.99182	0.9
73.02834	38.7
74.03168	0.7
75.00760	0.9
83.01283	0.5
85.02836	1.2
87.00740	0.6
87.04411	1.1
89.02343	2.1
92.00062	0.3
95.01263	0.6
95.36091	0.3
97.02822	0.4
97.06513	0.5
99.00787	0.5
99.04403	0.5
101.02320	1.7
101.18755	0.4
110.84343	0.3
113.02334	1.5
115.05074	0.3
119.03410	0.4
123.04413	2.1
125.09643	2.4
127.07529	0.6
130.21722	0.4
139.11232	0.4
146.08189	2.0
154.97192	0.3
161.04491	0.4
169.08673	0.9
181.12323	1.5
183.10220	0.6
187.09720	24.2
187.83731	0.4
188.10083	1.9
199.13380	5.2
200.13684	0.5
201.11310	19.1
202.11636	1.1
223.05965	0.4
225.11281	0.9
243.12390	6.2
261.13477	100.0
262.10925	1.0
262.13785	7.5
267.12289	0.6
277.12604	0.6
278.12531	0.6
279.11954	3.1
285.13522	0.5
303.14664	2.7
363.16525	1.1
423.18723	6.7
423.24445	0.4
424.19177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.18
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
55.13879	13.2
59.01267	52.2
69.56091	56.2
69.56516	64.2
71.01300	16.7
75.00768	24.7
78.95793	24.3
166.04323	14.4
261.13333	15.1
423.17383	100.0
424.17599	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1801
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
52.52925	10.3
59.01276	87.1
61.98733	15.4
69.35709	53.0
69.36124	35.9
71.01276	41.5
72.99215	15.1
73.02855	18.0
73.74354	10.6
75.00767	46.8
80.85749	9.1
85.14851	9.9
87.00726	15.1
89.02344	25.7
91.95525	9.6
96.95954	12.9
98.19849	20.2
101.02364	18.7
113.02398	16.7
115.07571	13.0
118.98035	12.1
201.57622	11.4
217.55339	10.5
234.38887	12.3
261.13443	28.3
291.67523	14.1
423.17902	100.0
423.26401	14.5
435.74805	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	421.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28415	0.3
59.01236	0.6
66.76041	0.3
70.91059	1.1
74.82227	0.3
78.33867	0.3
78.95792	30.5
85.62859	0.3
96.87604	0.4
109.13998	0.3
110.98437	55.6
152.99527	4.8
167.01073	1.4
176.20061	0.3
185.02164	100.0
186.02544	2.2
253.21762	25.6
254.22102	2.3
421.23730	3.6
441.19193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01269	1.9
61.62887	0.3
64.96467	0.4
71.54266	0.6
78.95788	4.6
110.98434	3.8
152.99483	0.4
167.01106	1.5
171.36972	0.4
185.02194	3.4
192.09026	0.4
253.21759	100.0
254.22102	10.3
346.97357	0.4
421.23663	6.9
422.24155	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	423.1801
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
57.03332	8.5
59.01263	79.2
61.98711	15.6
62.58961	9.0
69.49598	80.4
71.01270	36.3
72.99199	10.2
73.02837	10.5
75.00769	39.4
80.79539	9.2
85.02843	15.8
89.02335	20.3
98.19839	22.6
101.02338	19.7
102.55743	9.9
113.02357	22.4
115.07538	14.1
115.41825	10.1
125.09661	25.2
157.06487	15.7
208.96309	11.0
261.13525	17.8
361.78485	10.6
423.17978	100.0
423.26703	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	2.4
58.00484	1.5
59.01266	77.4
60.01580	1.6
61.98705	2.7
62.89989	1.4
71.01270	42.5
71.04908	12.0
71.55889	2.6
72.99194	5.6
73.02859	6.3
75.00756	6.4
83.01266	1.9
83.04895	1.2
85.02839	7.1
87.00796	1.6
89.02339	19.2
89.39278	1.2
95.01281	2.8
96.95922	3.0
99.00777	2.5
101.02350	35.2
113.02370	9.6
118.98031	1.9
119.03407	6.1
124.25285	1.2
125.05974	2.0
130.09489	1.2
143.03430	2.1
143.07079	100.0
144.07408	5.8
161.04544	2.3
179.05528	3.8
197.11798	2.5
215.12856	4.7
241.10764	2.8
259.11810	6.0
279.41885	1.5
319.17877	2.0
361.14859	1.8
377.18231	32.3
378.18658	3.5
403.19650	2.8
421.21036	43.7
421.25842	2.6
422.20990	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	421.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16276	0.2
57.03347	0.4
57.07858	0.2
57.19378	0.2
59.01264	100.0
60.01609	1.6
70.04575	1.1
71.01267	1.9
72.99207	0.4
73.02852	0.6
73.94511	0.2
74.72519	0.2
75.00763	1.2
83.01305	0.3
85.02853	0.9
87.00828	0.3
89.02351	1.1
90.22074	0.2
90.84280	0.2
99.00811	0.5
101.02345	1.4
106.65021	0.2
113.02352	1.3
117.78695	0.3
119.03378	0.4
120.44191	0.2
120.99586	0.5
152.01122	0.4
156.40062	0.2
161.04500	0.5
179.05623	0.3
199.09779	0.2
231.03052	0.4
259.02502	0.2
273.91858	0.2
301.16797	0.3
306.45776	0.2
319.17801	0.8
347.24774	0.4
361.18668	0.6
371.33975	0.2
421.20050	0.3
421.24109	1.4
421.28772	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.3
58.00460	0.2
59.01263	100.0
60.01600	1.2
70.89418	0.4
70.89793	0.4
71.01271	5.2
72.99194	0.4
73.02834	1.7
75.00768	0.7
83.01295	0.6
85.02847	1.9
87.00794	0.3
89.02338	3.1
89.02852	0.3
91.53862	0.2
92.38029	0.2
95.01296	0.4
99.00794	0.6
101.02338	4.1
113.02353	1.9
118.98022	0.2
119.03433	1.4
125.02392	0.3
139.40482	0.2
143.03458	0.3
155.03496	0.2
159.03012	0.4
161.04494	1.8
179.05667	0.3
199.13228	0.2
203.05690	0.2
227.12949	0.2
270.27777	0.2
301.16583	3.2
302.17014	0.3
319.17664	11.2
320.18042	1.0
361.18744	11.8
362.19034	1.1
403.27853	0.3
421.20282	0.3
421.28513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77061	1.2
52.39412	1.2
57.03318	1.1
58.03964	1.4
59.01266	40.0
71.01268	71.6
71.05252	2.7
72.01622	2.0
72.99180	1.4
73.02835	2.9
75.00753	2.5
77.59115	1.2
83.01266	1.4
85.02827	3.4
86.66603	1.1
87.00784	2.1
89.02339	33.9
96.95898	1.4
97.06473	1.7
101.02341	6.7
113.02338	4.7
116.92776	2.3
119.03436	4.3
123.08079	1.7
125.09647	22.4
128.03453	2.6
135.11719	1.2
137.09618	1.4
143.04541	2.7
143.07063	2.7
149.09668	1.3
153.12785	3.6
161.04483	2.1
167.10690	7.2
169.08646	10.3
169.28766	1.3
179.10707	1.5
181.08600	1.9
188.19629	1.3
197.11789	7.5
211.06183	1.3
211.09665	3.0
215.12894	2.3
223.06125	1.6
223.09656	1.3
229.10774	2.4
241.10802	9.2
259.11911	100.0
260.12271	7.0
272.08914	1.8
283.11566	2.0
301.12997	2.8
306.07870	7.2
331.76422	1.3
377.18137	4.1
391.76538	1.3
421.16721	21.1
421.21771	2.5
438.22995	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	421.1638
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
54.71955	2.6
57.03323	6.3
57.42729	2.8
58.56874	2.8
59.01262	85.1
61.98723	3.7
69.70878	19.0
71.01273	40.0
71.04907	10.9
72.99191	3.7
73.02827	4.5
75.00755	8.2
76.38553	2.3
85.02850	5.3
87.00795	3.6
89.02334	16.9
95.60881	2.5
98.20515	3.9
101.02339	8.9
103.05061	3.0
113.02364	7.5
119.03390	4.1
125.09646	10.6
143.07065	100.0
149.99574	3.3
161.04460	3.0
167.10716	3.1
169.08655	3.4
179.10791	3.9
241.10745	5.7
259.11865	44.8
260.12177	3.0
261.16904	2.8
299.70258	3.1
361.14923	4.2
377.18304	6.5
421.12134	2.5
421.16287	68.6
421.20721	7.8
421.25269	4.3
422.16443	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	421.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71955	2.6
57.03323	6.3
57.42729	2.8
58.56874	2.8
59.01262	85.1
61.98723	3.7
69.70878	19.0
71.01273	40.0
71.04907	10.9
72.99191	3.7
73.02827	4.5
75.00755	8.2
76.38553	2.3
85.02850	5.3
87.00795	3.6
89.02334	16.9
95.60881	2.5
98.20515	3.9
101.02339	8.9
103.05061	3.0
113.02364	7.5
119.03390	4.1
125.09646	10.6
143.07065	100.0
149.99574	3.3
161.04460	3.0
167.10716	3.1
169.08655	3.4
179.10791	3.9
241.10745	5.7
259.11865	44.8
260.12177	3.0
261.16904	2.8
299.70258	3.1
361.14923	4.2
377.18304	6.5
421.12134	2.5
421.16287	68.6
421.20721	7.8
421.25269	4.3
422.16443	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	421.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23182	2.4
57.03018	2.2
59.01262	82.4
61.98711	5.3
61.99017	2.1
64.08490	2.3
65.25492	2.2
70.27835	7.8
71.01267	15.4
72.55370	2.4
72.99187	10.8
73.02837	8.0
75.00763	100.0
78.95810	2.7
85.02834	6.8
87.00777	3.4
89.02335	11.8
90.41789	2.2
96.95911	5.5
99.00771	2.8
101.02328	11.5
102.98542	2.7
113.02372	5.2
118.98006	13.2
119.03407	2.8
120.88429	2.4
136.15009	2.6
138.05481	3.7
161.04460	3.9
165.71864	2.1
179.05627	2.2
187.09770	5.6
209.04674	2.2
217.10713	3.3
231.12274	3.8
231.81081	2.5
245.07622	2.5
245.54639	2.4
247.11876	3.6
259.11865	8.5
260.09167	2.9
301.12109	3.6
421.16147	33.4
421.25092	73.5
422.16412	4.9
422.24948	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	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35816	0.4
57.01419	0.5
59.01261	76.5
59.82983	0.4
60.01597	1.1
60.63487	0.4
61.98717	1.3
71.01271	0.8
75.00767	1.6
85.02861	0.6
85.59855	0.5
87.04405	100.0
88.04739	1.6
90.17719	0.4
100.19021	0.5
102.14027	0.4
166.19774	0.5
187.03889	0.5
209.11865	0.7
419.11298	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.2
58.00484	0.8
59.01265	100.0
60.01590	1.0
63.93142	0.5
69.47042	0.6
70.04449	2.0
70.04864	0.8
70.42196	0.6
71.01270	19.1
72.99220	1.6
73.02840	4.0
75.00763	1.4
83.01286	1.6
84.13521	0.5
85.02853	5.7
87.00770	1.3
87.04413	0.7
89.02338	17.0
95.01292	1.7
99.00782	1.4
101.02343	14.7
113.02359	8.3
114.15244	0.5
119.03416	6.5
139.05006	0.5
143.03429	0.7
159.02983	0.5
161.04514	8.6
177.12805	11.2
178.13191	0.7
179.05592	1.2
190.50696	0.5
221.11800	1.0
242.31551	0.6
257.10352	1.4
359.17181	18.2
360.17551	2.5
369.41498	0.6
401.18204	6.8
402.18408	1.3
419.19333	48.8
420.19693	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	419.1934
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.2
58.00484	0.8
59.01265	100.0
60.01590	1.0
63.93142	0.5
69.47042	0.6
70.04449	2.0
70.04864	0.8
70.42196	0.6
71.01270	19.1
72.99220	1.6
73.02840	4.0
75.00763	1.4
83.01286	1.6
84.13521	0.5
85.02853	5.7
87.00770	1.3
87.04413	0.7
89.02338	17.0
95.01292	1.7
99.00782	1.4
101.02343	14.7
113.02359	8.3
114.15244	0.5
119.03416	6.5
139.05006	0.5
143.03429	0.7
159.02983	0.5
161.04514	8.6
177.12805	11.2
178.13191	0.7
179.05592	1.2
190.50696	0.5
221.11800	1.0
242.31551	0.6
257.10352	1.4
359.17181	18.2
360.17551	2.5
369.41498	0.6
401.18204	6.8
402.18408	1.3
419.19333	48.8
420.19693	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	419.1932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	1.5
56.61356	1.4
57.03337	4.9
58.00477	1.7
59.01262	25.0
69.03342	2.6
69.39714	7.3
69.40128	3.1
71.01269	27.6
71.04906	1.3
72.01620	1.6
72.99205	8.8
73.02827	11.5
75.00765	14.1
80.02566	1.1
83.01283	1.5
83.04940	1.8
85.02833	10.1
87.00780	11.9
89.02341	9.1
95.01283	1.7
95.04923	2.2
96.95887	2.5
97.02834	1.9
98.03641	24.6
99.00783	3.3
99.04395	1.5
101.02358	8.8
105.01841	11.4
109.02856	1.5
109.06536	1.4
113.02354	9.5
113.05989	2.9
119.03441	4.3
123.08096	1.5
129.56322	1.2
134.02290	1.4
135.02933	1.7
137.09644	16.0
139.07585	4.6
141.10173	1.2
143.03502	1.5
147.11731	2.3
149.04639	1.2
151.07611	1.3
151.11140	2.0
155.10716	17.7
161.04524	4.6
165.09161	7.6
175.02431	3.6
177.12805	2.6
179.05580	2.4
181.08684	22.5
182.08849	1.4
191.10732	1.6
198.08957	1.4
199.09747	28.7
200.10123	2.3
213.11407	1.8
221.11757	7.1
237.93269	1.2
239.09265	1.4
255.08919	1.3
257.10342	4.1
279.42471	1.3
285.17215	1.4
331.09042	1.2
343.14505	2.0
361.15106	100.0
362.15378	9.5
401.18301	3.8
419.19391	42.8
420.19736	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	419.1356
Annotation	Cochinolide beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01773	0.5
57.03331	0.5
58.00471	0.6
59.01263	12.6
61.98692	0.4
69.35565	0.8
69.35976	3.2
71.01271	7.3
72.99197	0.7
73.02831	1.6
75.00768	2.1
83.01264	1.0
83.04896	0.7
84.61688	0.4
85.02837	3.8
87.00750	0.4
89.02325	3.2
93.03371	3.7
94.31964	0.3
95.04934	0.4
99.00777	0.5
101.02351	4.2
102.71044	0.4
104.40318	0.4
106.03465	0.8
106.04151	11.0
107.04939	23.5
108.02090	2.8
108.05235	0.8
109.02862	0.6
113.02361	1.9
119.03403	1.5
119.04939	1.6
119.07910	0.4
121.02866	3.2
135.04396	0.5
138.03108	0.9
138.69435	0.4
150.03102	0.7
160.05237	0.4
161.04492	0.5
171.08051	0.5
182.02144	0.7
195.08174	0.4
211.07642	10.9
212.07877	0.7
213.09204	66.1
214.09550	5.3
226.16821	0.4
239.16594	0.8
241.97351	0.5
257.08237	7.6
258.08548	0.7
376.18713	0.6
419.13559	100.0
419.22821	7.1
420.13940	14.5
420.22736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35859	1.3
57.03315	4.5
59.01262	100.0
67.85271	1.7
67.87599	1.3
69.03343	10.3
70.24596	6.8
71.01275	11.8
71.04903	4.3
72.99200	19.8
73.02843	7.0
75.00764	35.7
80.14030	1.4
81.03337	1.6
83.01276	2.2
83.04916	9.7
85.02839	6.2
85.06454	1.7
87.00758	4.3
89.02333	4.4
95.04919	7.6
97.02883	1.5
97.06487	6.8
99.04426	2.1
101.02318	4.7
103.00264	3.1
109.06487	5.8
111.08076	2.6
113.02360	6.4
115.03900	1.4
121.06515	9.6
123.07974	2.1
131.07063	5.0
139.07582	7.6
148.39104	1.5
173.11876	1.6
177.09106	2.0
191.10733	3.7
201.07629	4.2
209.11758	2.0
217.30609	1.6
227.12753	1.6
241.05020	6.9
241.10867	1.8
242.05760	2.7
243.08731	3.4
253.10822	1.7
257.08127	9.4
271.11890	8.7
283.11914	6.6
296.59711	1.9
311.22293	1.9
333.11948	2.3
375.13034	5.9
375.19934	2.1
393.75552	1.8
401.25507	12.7
419.22546	18.9
419.27551	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03333	2.1
59.01260	100.0
60.01600	1.2
61.98709	0.5
69.03347	0.4
71.01279	1.2
71.14648	0.8
73.02841	0.4
75.00757	7.8
82.07570	0.3
83.04887	0.3
85.02833	0.4
87.04427	0.8
93.06993	0.5
97.06493	1.2
99.00803	0.4
99.04485	0.5
99.08108	0.5
104.58346	0.3
113.09649	0.9
117.65941	0.3
121.10161	1.0
127.11215	0.4
139.11229	1.0
141.09132	0.6
141.12790	0.3
151.11235	0.8
157.12276	2.9
158.03775	0.3
159.04512	0.8
163.11339	0.6
169.12355	0.4
171.13866	0.5
173.06006	1.7
174.06975	0.3
175.07587	0.4
181.12328	0.6
186.12595	0.8
187.04048	0.5
187.07646	1.2
187.13396	1.6
199.13301	1.7
200.14073	0.6
201.05670	0.6
201.14992	1.9
202.06494	0.4
214.02705	0.4
215.03499	0.6
215.07045	0.7
216.07924	0.5
225.09145	0.5
227.16589	0.6
228.13524	0.4
229.18144	0.5
243.06641	2.1
244.07477	1.1
245.07915	0.4
276.06635	0.4
279.23386	0.4
285.04141	0.4
287.09338	0.4
288.10074	0.4
297.24527	1.4
302.07867	0.4
309.24567	1.1
320.09253	0.5
321.24362	2.2
339.25455	2.5
341.13922	0.8
357.26505	42.4
358.26855	5.1
375.27960	0.4
385.16919	0.6
417.28311	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	7.1
59.01263	100.0
61.98704	5.7
62.27026	1.2
65.93332	1.2
71.01271	4.4
71.04908	1.4
71.56547	1.1
71.56918	2.3
72.99180	2.6
73.02828	2.2
75.00758	68.8
81.13767	1.2
85.02847	1.5
90.98316	1.3
97.06491	4.0
99.00780	2.5
99.04379	1.7
99.08085	1.9
104.99760	1.3
105.94883	1.4
113.02339	3.3
113.09596	2.6
135.04436	2.3
138.66283	1.3
139.11223	2.0
149.05968	1.4
157.12314	13.4
158.03604	2.2
158.07269	2.3
159.04459	5.4
160.05092	1.7
163.03928	1.7
169.73859	1.5
172.05226	2.1
173.05974	9.5
174.06744	3.9
175.07494	2.2
183.04344	1.3
185.15398	2.4
186.03154	1.6
186.06818	2.2
187.03973	4.7
187.07605	12.3
189.09216	2.1
190.15401	1.5
191.03482	2.7
197.06073	1.5
199.07657	2.7
200.08472	2.1
201.05486	8.2
201.09248	3.2
202.06274	3.6
203.07147	1.9
205.08669	1.8
209.19012	1.8
212.04840	1.9
214.02684	3.0
215.03482	10.0
215.07062	11.0
216.07869	3.7
217.08658	4.7
225.09259	3.7
226.10023	1.6
227.10707	1.5
231.10281	1.5
236.10555	1.5
240.04350	1.7
241.08708	3.6
243.06627	20.8
243.10295	3.0
244.07405	16.4
245.07968	3.1
251.20078	2.2
259.09741	1.9
261.07697	1.6
265.21655	1.9
267.23492	2.1
269.08411	2.1
276.06436	4.5
285.24377	7.7
287.09360	5.5
288.09967	6.1
313.23917	18.3
314.24258	1.8
319.11871	5.4
320.09100	6.6
320.12726	4.5
331.24951	99.7
332.25311	12.7
339.16101	3.6
341.13934	6.1
373.26004	53.7
374.26318	7.0
385.16565	3.8
417.19550	1.5
417.26212	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08366	1.8
55.48013	1.5
57.03326	7.2
59.01264	100.0
61.98705	3.7
69.03320	1.5
71.01259	5.1
71.04926	2.5
71.57226	2.7
72.99172	2.4
75.00762	74.5
78.65246	1.7
78.95807	2.2
86.47973	1.7
87.00757	2.1
96.90390	1.5
97.06479	6.5
99.00762	2.9
99.04400	4.1
99.08043	2.3
101.02325	2.1
112.64317	1.7
113.02344	3.1
113.09635	2.2
125.72133	1.8
127.11160	2.2
143.70555	1.6
146.13780	1.7
148.85535	1.6
149.05962	2.1
157.12289	9.9
158.03659	4.4
159.04460	4.2
159.08064	1.6
172.05098	1.7
173.06075	9.8
174.06689	2.5
175.07541	5.0
181.55197	1.8
185.05989	2.4
186.03189	4.9
186.06686	3.2
187.03970	6.8
187.07603	13.9
191.03394	2.4
199.07652	4.7
201.05515	8.7
201.08929	2.0
202.06033	2.0
212.04662	2.4
213.09198	2.2
214.02710	4.4
215.03577	13.1
215.07085	9.7
216.07837	3.0
217.08641	6.6
225.09175	3.8
227.07184	1.7
229.08713	1.7
230.05733	1.7
241.08662	3.2
243.06630	28.2
243.10297	3.2
244.07341	17.1
245.07997	2.1
253.82118	1.7
259.09775	2.0
269.08151	2.8
276.06433	5.4
285.24313	3.6
287.09314	6.8
288.09979	6.1
289.11041	1.7
313.23932	14.7
319.11884	4.7
320.09140	6.1
320.12564	6.5
331.24960	65.2
332.25278	6.4
335.22281	2.0
339.16156	4.0
341.14020	7.7
373.26007	36.5
374.26395	5.5
385.16626	2.8
417.20770	1.8
417.26462	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	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01561	0.3
51.97054	0.2
52.90139	0.2
55.01770	4.8
55.66677	0.2
57.03338	4.0
58.00483	3.0
59.01263	70.1
60.01590	0.7
60.40865	0.3
68.99673	0.3
69.03346	0.8
71.01269	100.0
71.04899	0.6
71.56768	0.4
72.01600	1.3
72.99198	5.3
73.02834	21.4
74.03180	0.5
75.00762	15.4
78.88909	0.3
81.03356	0.6
83.01274	11.2
83.04959	0.3
84.02056	0.7
85.02841	35.4
85.99986	0.5
86.03188	0.6
87.00771	5.4
87.04410	2.4
89.02335	48.7
90.02679	1.0
95.01273	5.5
95.01832	0.4
97.02840	2.1
97.06518	0.8
99.00779	9.1
99.04425	0.5
101.02344	71.4
102.02688	1.8
111.00797	0.5
112.01574	0.6
113.02353	39.1
114.02708	1.4
119.03414	21.9
120.03750	0.6
125.02357	2.3
129.01848	0.9
131.03418	2.1
143.02357	0.5
143.03430	7.8
149.04489	2.2
158.03706	0.4
159.02945	7.4
159.04344	0.4
161.04500	42.9
162.04820	1.2
163.64233	0.2
173.06044	1.9
174.06665	0.3
179.05568	9.7
180.05910	0.4
185.15520	0.4
187.07680	0.6
201.05563	0.7
205.03499	1.7
215.03506	0.5
215.07178	0.4
217.08621	0.7
243.06660	1.3
244.07364	1.1
255.10167	0.4
255.19724	3.5
276.06360	0.4
285.04065	0.9
320.08896	0.3
341.14072	0.8
357.19482	0.4
358.24631	0.3
375.20367	0.8
395.75076	0.3
417.25076	36.9
418.25482	4.3
425.63861	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	5.0
56.99698	0.2
57.03336	4.2
58.00479	3.7
59.01263	78.8
60.01603	0.9
60.99189	0.2
62.19098	0.2
67.01783	0.3
68.99706	0.5
69.03351	0.8
71.01270	100.0
71.57452	0.3
71.57796	0.2
72.01617	1.4
72.99194	5.0
73.02834	20.6
74.03152	0.4
75.00764	3.6
81.03360	0.6
83.01277	11.2
83.04906	0.2
84.02083	0.6
85.02842	37.2
85.99998	0.4
86.03189	0.9
87.00244	0.2
87.00774	5.0
87.04405	2.3
89.02336	51.5
90.02701	0.9
95.01286	7.3
97.02847	1.6
99.00778	10.2
99.04420	0.4
101.02345	71.6
102.02690	1.5
109.05266	0.2
109.06465	0.2
111.00799	0.6
112.01579	0.7
113.02354	40.4
114.02689	0.9
118.88721	0.2
119.03415	22.9
120.03749	0.4
125.02378	1.8
129.01874	1.5
131.03410	2.3
143.03433	7.1
147.55147	0.2
149.04504	1.9
159.02933	7.1
161.04497	42.2
162.04831	1.6
173.05991	0.4
179.05569	11.0
179.14462	0.3
180.05934	0.5
185.15445	0.3
195.10211	0.5
205.03548	1.3
207.85097	0.2
225.00778	0.2
243.06784	0.3
255.02953	0.3
255.19682	3.1
256.20041	0.4
283.02606	0.4
330.96677	0.2
375.18085	0.2
382.22348	0.3
417.25000	40.8
418.25333	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	417.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	5.5
57.03338	4.6
58.00488	2.5
59.01266	99.3
60.01593	1.6
61.98719	0.7
62.39513	0.4
68.99706	0.5
69.03340	1.4
69.35941	1.4
69.36367	2.9
71.01270	100.0
72.01621	1.3
72.99199	4.8
73.02838	24.2
75.00765	7.0
81.03358	0.5
83.01281	11.6
83.01782	0.8
85.02845	41.2
86.03175	0.8
87.00777	4.8
87.04395	2.3
89.02340	38.0
90.02679	1.1
95.01292	8.2
97.02861	2.3
97.06527	0.7
98.02381	1.7
99.00785	10.6
99.04425	1.5
101.02351	68.2
102.02695	1.3
109.02885	0.5
111.00733	0.4
112.01546	0.5
113.02359	42.5
114.02699	1.3
117.03353	0.7
118.98010	0.5
119.03419	14.7
119.13268	0.4
124.01608	0.6
125.02391	2.4
128.03468	0.5
129.01863	1.4
131.03429	1.6
143.03438	7.6
149.04465	1.1
152.01068	0.5
159.02953	9.7
161.04504	50.8
162.04782	2.1
173.05983	0.8
179.05574	5.4
195.08110	4.5
196.08455	0.5
205.03555	2.4
213.09227	1.3
228.05179	0.8
230.99606	0.4
237.14973	0.9
255.15907	0.5
255.19656	3.1
269.10345	1.9
285.04245	0.6
287.09674	0.5
335.22043	0.6
357.56845	0.5
417.25153	62.7
418.25565	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	417.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69629	0.3
53.03228	0.3
57.03338	0.3
59.01263	100.0
60.01594	1.3
61.98713	0.6
71.01270	1.9
72.99204	0.4
73.02840	0.7
75.00761	18.2
78.95781	0.3
83.01284	0.3
85.02853	0.9
87.00753	0.4
89.02361	0.6
95.90290	0.2
97.06499	0.8
98.19760	0.5
99.00798	0.4
99.04424	0.4
101.02377	0.7
104.19089	0.3
113.02379	1.0
117.29505	0.3
121.02881	0.6
125.02322	0.3
145.02893	0.4
145.06554	0.3
155.56526	0.3
158.03661	0.5
159.04468	1.0
161.04544	0.6
163.31342	0.2
172.05296	0.5
173.05997	2.9
174.06860	1.0
175.03984	0.3
175.07614	0.5
183.04631	0.3
185.06067	0.4
186.03181	0.6
186.06955	0.4
187.04021	1.1
187.07658	1.2
188.04689	0.4
199.07712	0.7
200.08400	0.4
201.05569	1.3
201.09200	0.3
211.07556	0.3
212.04964	0.4
213.09181	0.4
214.02728	0.6
215.03508	1.2
215.07095	1.6
216.07919	0.8
216.64590	0.3
217.08727	1.9
225.09074	0.7
227.07158	0.3
229.12379	0.4
241.08888	0.5
243.06657	3.7
243.10349	0.6
244.07396	2.8
244.10945	0.3
245.08012	0.5
261.07877	0.5
269.08054	0.4
271.13623	0.3
273.15158	0.5
276.06424	0.3
285.04004	0.6
287.09491	0.4
288.10095	0.7
297.12399	0.5
320.09186	0.9
320.12729	0.5
331.21310	0.4
333.17133	0.4
339.16168	0.6
341.14230	1.2
345.17419	0.3
346.17865	0.3
357.26407	2.6
367.15674	0.7
375.27502	0.6
385.16745	0.8
400.47244	0.3
417.08395	0.3
417.20523	0.9
417.27280	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	417.214
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	1.0
57.03327	2.8
58.00477	2.3
58.99477	0.7
59.01264	73.6
60.01591	1.0
61.98693	0.8
69.03336	0.9
71.01269	35.9
71.56423	1.4
72.99201	4.9
73.02835	3.8
74.98945	0.6
75.00761	6.2
76.48702	0.6
77.30143	0.6
83.01283	3.6
85.02847	8.8
87.00778	2.5
89.02338	32.1
91.39023	0.6
95.01281	3.6
95.04935	0.7
97.06527	0.7
99.00799	1.2
99.04420	1.5
101.02346	26.9
102.02683	0.7
102.98495	1.2
109.02888	1.4
113.02348	13.3
115.00127	0.6
115.03922	2.7
118.98001	1.0
119.03426	14.7
121.02847	0.8
123.00759	0.7
123.08089	1.1
125.02343	0.9
131.03430	0.8
137.02397	2.0
143.03413	2.5
149.02385	0.9
149.04424	1.0
151.00293	4.7
152.04694	1.0
161.04518	2.4
166.02660	7.5
167.03181	0.9
170.29628	0.7
175.14847	1.4
177.01895	1.3
179.05574	2.5
181.05013	13.4
182.04466	1.3
193.12292	2.9
193.15976	0.7
195.10220	2.0
201.11336	0.9
207.91068	0.7
211.13377	1.3
219.13925	4.4
227.03484	0.8
237.11340	0.9
237.14963	17.3
238.15302	1.4
244.11076	0.6
255.12407	1.6
255.16087	3.2
256.03757	1.6
284.03320	24.0
285.04050	15.7
286.04285	1.4
357.19052	0.7
373.18683	1.4
375.18607	1.3
387.10837	2.4
399.20227	13.1
400.20767	1.1
402.13226	2.1
417.08527	22.1
417.16333	4.7
417.21313	100.0
417.25964	4.7
418.08597	2.5
418.16360	1.3
418.21573	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	417.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
58.81513	0.2
59.01263	100.0
59.91734	0.2
60.01604	1.2
70.70023	0.6
75.00754	0.8
97.84866	0.2
115.52480	0.1
146.19794	0.2
161.04553	0.2
173.06116	0.2
187.07750	0.2
201.09485	0.2
244.07451	0.2
417.27927	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	417.2139
Annotation	Maryal
Peak:m/z	Relative Intensity
52.42370	0.5
55.01759	1.9
57.03325	1.4
58.00470	0.8
59.01264	20.7
69.03345	0.5
69.75439	2.9
71.01268	23.9
72.99190	1.3
73.02448	0.6
73.02835	8.4
75.00764	7.7
78.95695	0.4
83.01285	3.4
83.04907	0.7
85.02840	10.6
85.06474	0.7
85.99975	1.4
86.03146	0.5
87.00766	5.6
89.02329	5.5
95.01287	2.0
97.02847	0.8
99.00768	4.0
99.04456	0.7
101.02346	15.9
101.03013	0.8
101.05980	0.6
102.02631	0.5
111.00743	0.6
113.02354	8.9
114.06760	0.8
119.03410	1.9
120.83513	0.4
121.02850	1.5
123.08063	0.6
125.02390	0.7
125.09623	1.4
127.11230	0.5
129.01840	0.4
129.09108	0.9
131.07007	0.5
132.50862	0.5
135.04489	0.7
141.09122	1.6
143.03462	0.5
143.10701	1.4
159.02933	1.2
159.04434	1.1
161.04526	4.2
161.05765	0.8
165.01872	1.2
173.06021	1.4
175.07596	0.6
180.09499	0.4
182.28304	0.5
186.03128	0.8
187.03984	0.9
187.07600	1.7
193.15990	3.3
201.05608	1.1
201.09198	0.7
211.17116	1.0
212.04802	0.5
215.03513	0.9
215.07112	1.2
215.12914	0.9
217.08662	0.7
237.14972	0.9
241.08693	0.5
243.06680	2.5
244.07417	2.2
255.16089	3.1
287.09369	0.9
288.10260	0.6
297.14532	0.6
305.16220	0.7
319.11905	0.4
320.09009	0.6
320.12552	0.9
335.22519	0.5
341.14078	0.7
385.16824	0.7
417.21365	100.0
418.21722	12.6
418.27286	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54297	0.3
55.00423	0.3
57.03332	0.5
59.01264	100.0
60.01598	0.9
61.98715	0.5
71.01258	1.7
72.99217	0.5
73.02816	0.5
75.00764	13.9
81.10103	0.3
85.02850	1.0
87.00768	0.3
89.02366	1.1
97.06478	0.7
98.19778	0.8
99.04427	0.5
101.02355	1.0
113.02374	0.7
115.03924	0.3
118.98039	2.0
136.55119	0.3
149.00307	0.3
159.04486	0.8
161.04546	0.5
168.61266	0.3
173.00896	0.4
173.06094	1.3
174.01746	0.3
175.07651	0.4
185.34883	0.4
186.03174	0.4
187.04066	0.4
187.07642	1.3
199.07620	0.4
200.08527	0.4
201.05560	0.7
214.02791	0.4
215.03586	0.8
215.07146	0.9
216.07925	0.5
217.08742	0.9
243.06610	2.2
243.10342	0.4
244.07408	1.6
263.24435	0.3
276.06433	0.4
285.20853	0.4
287.09186	0.4
320.09180	0.7
341.14099	1.0
367.14154	0.8
375.27667	0.6
417.21146	0.6
417.26700	0.9
421.63831	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	2.1
56.00585	1.0
57.03337	2.4
58.00489	2.3
59.01264	100.0
68.75505	1.0
69.03320	3.3
70.33285	4.5
71.01270	52.7
71.04898	2.7
72.97410	1.5
72.99185	4.4
73.02835	61.4
75.00762	14.0
81.03370	1.4
83.00828	1.0
83.01283	16.6
83.04900	2.1
85.02847	7.1
87.00757	2.6
89.02345	9.3
89.72770	1.1
91.28185	0.9
95.01321	1.1
95.04893	5.0
97.02811	1.6
97.06495	3.2
99.00760	2.3
101.02347	42.1
102.98470	1.3
107.04932	5.3
108.02071	1.7
109.02836	2.0
113.02358	10.6
115.03928	1.1
115.07530	4.2
119.03396	4.2
123.08092	1.7
125.02381	2.4
125.09622	1.2
131.03456	2.3
135.04417	1.9
136.01601	1.5
136.05202	1.2
139.11218	3.0
143.03419	3.1
148.05241	1.0
149.04448	2.5
149.09665	2.3
151.11227	41.8
152.01109	2.4
152.11649	1.7
161.04503	7.3
163.04033	1.2
164.08372	1.7
167.10738	2.8
169.12308	3.0
177.09146	6.3
181.12347	1.9
185.11778	3.7
193.12285	4.1
195.10245	77.9
196.10555	4.4
211.13405	4.2
212.31528	1.0
213.11301	13.5
214.31268	1.0
215.07043	1.1
224.52821	1.1
225.11281	1.5
225.16833	0.9
233.97748	1.0
237.15033	1.9
255.06390	1.2
255.16086	1.4
271.13538	1.2
285.04034	1.1
303.16205	1.8
313.14667	1.3
341.14029	1.4
343.21332	1.2
373.16629	3.3
375.24133	1.5
399.28897	1.1
401.03827	1.2
417.21155	20.9
417.25217	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32331	0.3
56.96401	0.3
57.45875	0.3
59.01263	100.0
59.34007	0.3
60.01594	1.0
61.98719	0.4
66.03094	0.3
71.01281	1.1
75.00753	3.6
87.17891	0.4
89.02376	0.5
90.58292	0.3
95.96983	0.3
97.06514	0.7
99.00782	0.4
111.08078	1.0
119.82764	0.3
125.09686	0.7
130.76050	0.3
159.04419	0.6
161.06114	0.3
172.05185	0.4
173.06114	0.7
173.08212	0.9
174.06880	0.4
175.07658	0.4
186.03267	0.5
187.04015	0.5
187.07671	1.3
187.09778	0.4
199.07643	0.4
201.05499	0.4
201.09293	0.4
203.07263	0.3
214.02733	0.4
215.03566	0.4
215.07181	1.1
216.07834	0.6
223.07799	0.3
229.16031	0.4
241.08833	0.5
243.06598	1.5
243.10336	0.5
244.07417	0.8
287.09320	0.5
288.10208	0.6
305.03876	0.3
312.94684	0.3
319.12042	0.6
320.12683	0.7
339.16104	0.6
357.26569	1.5
366.58005	0.3
385.16910	0.6
417.21399	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	417.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50857	0.3
55.01773	1.3
57.03333	1.1
59.01265	100.0
59.47606	0.3
60.01603	1.4
61.98728	1.6
64.15302	0.4
65.54729	0.4
69.03367	0.5
69.23409	4.0
71.01272	28.1
72.99199	1.0
73.02838	8.4
73.58812	0.4
75.00767	1.9
77.96400	0.4
82.21246	0.3
83.01285	3.4
85.02844	11.8
87.00780	1.3
89.02326	4.3
95.01289	2.3
97.02856	0.7
99.00780	4.5
101.02345	18.7
102.02705	0.5
103.07155	0.4
113.02360	12.2
119.03441	0.7
125.02346	0.6
126.07677	0.4
129.01917	0.7
139.07582	3.3
143.03455	2.0
159.02945	3.5
161.04503	34.7
162.04858	1.4
165.09180	4.3
179.05696	0.4
193.12430	0.4
195.10378	0.8
205.03613	1.0
238.14325	0.4
255.12549	0.4
264.14932	0.4
287.40546	0.4
357.15622	21.5
358.15964	3.0
417.17389	3.3
417.26675	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	417.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54131	0.8
55.01785	1.2
58.00500	1.3
59.01266	100.0
60.01616	1.8
60.24918	0.8
66.99733	0.7
71.01273	26.4
71.42778	1.6
72.99195	1.8
73.02854	4.7
75.00771	1.0
83.01305	2.1
85.02850	7.1
87.00761	1.8
89.02337	25.1
95.01290	1.6
99.00788	1.6
99.04425	0.9
101.02345	15.4
102.02689	0.7
105.13100	0.8
113.02361	11.4
119.03413	12.5
125.02355	0.8
131.03476	2.1
142.78055	0.7
143.03484	3.3
148.54729	0.7
149.04536	0.9
150.20827	0.9
159.02934	1.7
159.80835	0.7
161.04506	23.7
162.04843	1.1
172.76776	0.7
177.09155	4.8
179.05591	8.4
179.31061	0.8
193.12292	1.7
195.10378	1.0
205.03621	1.1
237.11430	2.2
357.15625	31.0
357.20078	1.5
358.15973	4.4
378.18820	0.8
408.06659	0.8
417.17563	4.0
417.26581	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.3
57.03341	0.3
57.79852	0.1
58.61858	0.1
59.01265	100.0
60.01606	1.1
61.98730	0.2
67.87325	0.1
71.01270	4.2
71.56906	0.2
72.99191	0.5
73.02837	1.4
75.00751	0.8
83.01290	0.6
85.02842	2.0
87.00787	0.3
88.46981	0.2
89.02319	0.9
99.00800	0.6
99.04413	1.4
101.02348	2.4
109.02899	0.2
111.00766	0.2
113.02376	2.2
119.03446	0.4
143.03444	0.2
147.04478	0.5
148.01546	0.2
156.00642	0.2
157.01425	0.2
157.02652	0.2
159.02998	0.2
161.04472	1.1
163.03989	0.3
179.05649	0.2
191.03416	0.2
198.58971	0.2
220.18367	0.2
228.04660	0.2
260.69910	0.2
292.56717	0.2
329.27313	0.2
333.09933	0.3
355.21405	0.4
373.22379	2.5
374.22916	0.3
415.09799	0.2
415.18909	0.3
415.24023	0.8
415.27881	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	413.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01591	1.2
67.53935	0.2
70.95697	0.5
75.00766	0.3
77.36016	0.2
84.19873	0.3
109.64105	0.3
113.07162	0.2
127.13571	0.2
244.09422	0.3
381.81552	0.2
397.19724	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85624	0.4
59.01264	100.0
59.44077	0.4
60.01609	0.9
73.84865	0.4
81.13130	0.5
98.19775	1.0
102.24436	0.5
117.15868	0.4
167.52977	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01770	6.7
55.47413	0.2
56.02134	0.2
57.03335	5.2
58.00475	2.2
59.01261	46.0
60.01596	0.5
61.98701	0.4
67.01776	0.2
68.99712	0.8
69.03335	3.0
69.26273	2.5
71.01266	87.5
72.01598	1.3
72.99194	4.5
73.02832	35.1
74.03175	0.8
75.00766	2.9
81.03353	1.5
83.01272	26.3
83.04915	0.5
84.01597	0.5
84.02052	0.2
85.02838	45.9
85.99990	1.1
86.03197	1.0
87.00761	4.3
87.04411	0.4
89.02333	8.7
95.01274	5.5
96.01611	0.4
97.02848	3.9
98.20561	0.5
98.71088	0.2
99.00778	12.7
99.04414	0.7
100.01131	0.4
101.02341	77.4
102.02679	2.0
103.03907	4.5
103.86605	0.2
107.04951	1.0
109.02907	0.3
111.00780	1.1
111.04384	0.3
113.02351	30.5
114.02670	0.7
115.03918	0.7
116.01020	0.2
119.03424	2.3
125.02359	7.7
127.03951	0.8
129.01872	1.5
131.03441	0.5
135.04482	0.3
139.00333	0.2
141.01746	0.4
143.03427	4.6
145.04953	1.9
149.05981	0.2
159.02933	7.6
160.03191	0.3
161.04494	52.4
162.04831	1.7
163.06056	3.3
187.06049	0.3
192.87839	0.2
205.03505	2.2
205.07349	0.3
206.34076	0.3
229.07138	1.7
247.08238	3.9
251.09344	0.3
269.10349	100.0
270.10678	8.5
307.10327	0.6
313.09320	0.5
378.25653	0.2
415.16159	36.5
416.16495	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	413.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60341	0.2
50.97169	0.2
51.40931	0.2
55.29853	0.3
59.01263	100.0
59.31789	0.2
60.01609	1.1
66.34019	0.2
68.67626	0.2
70.86957	0.7
71.01275	0.8
73.02847	0.6
75.00767	2.3
85.02838	0.3
89.02357	0.4
97.06492	0.3
101.02354	0.6
113.02351	0.3
120.18930	0.2
127.61356	0.2
135.04428	0.2
136.01575	0.3
147.04468	0.7
148.01619	0.3
151.03961	0.3
163.04086	0.3
175.57993	0.2
191.03456	0.5
209.11948	0.3
235.02547	0.5
258.40576	0.2
285.04025	0.3
311.15387	0.3
333.09900	0.3
362.98541	0.3
398.65030	0.2
413.25589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.11
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	8.3
61.04713	0.3
61.98704	1.0
62.17746	0.3
69.47660	0.7
69.48076	2.1
71.01290	0.4
72.99186	1.1
73.02831	0.7
73.58039	0.3
75.00762	100.0
76.01096	1.2
78.95792	1.4
80.89956	0.3
89.02361	0.4
93.03368	0.4
101.02383	0.3
101.79200	0.4
107.45280	0.3
108.02071	1.3
109.02875	7.6
117.01854	15.8
118.02238	0.4
121.02877	1.9
123.04438	0.5
133.02847	1.8
134.03676	6.2
135.04472	2.8
136.01591	15.4
137.02412	3.9
145.02979	0.4
147.00813	0.7
148.01601	1.0
148.05208	0.5
151.03964	3.2
152.99538	2.0
177.01900	1.6
178.02713	0.9
179.03467	3.1
180.04250	1.1
195.03026	1.3
223.02567	1.5
223.55890	0.3
224.03227	0.4
228.40065	0.3
231.10266	0.5
233.08200	3.9
234.08458	0.4
253.03554	0.7
269.88379	0.3
275.09329	0.5
277.10965	0.4
279.17291	0.3
293.10367	2.6
295.11990	1.4
311.11450	8.8
312.11755	0.8
321.09860	4.3
333.09943	1.0
339.10898	6.0
340.11395	0.7
351.10904	8.2
352.11313	0.9
369.12009	2.9
370.12335	0.5
381.13092	0.8
429.05951	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2761
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14976	0.2
58.01928	0.2
59.01264	100.0
60.01609	1.0
61.62063	0.2
74.96613	0.2
81.52785	0.2
98.19736	0.4
142.45082	0.3
234.72058	0.3
239.85388	0.3
381.95068	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	100.0
60.01603	1.4
63.70547	0.6
64.56078	0.6
67.95279	0.6
69.49082	5.2
85.17239	0.7
86.22990	0.7
102.27542	0.7
124.67950	0.6
135.65218	0.6
165.50768	0.7
165.80652	0.7
205.51382	0.8
224.61894	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.1
69.19122	0.4
69.29707	1.4
69.30136	2.1
72.99197	1.1
73.02834	0.9
75.00762	100.0
76.01119	1.4
78.95795	2.0
85.02861	0.3
99.00827	0.3
108.02074	0.9
109.02861	7.7
110.28525	0.3
117.01014	0.8
117.01843	15.5
121.02862	2.1
123.04453	0.9
133.02866	1.1
134.03659	6.9
135.04449	3.3
136.01590	20.1
137.02400	4.4
139.03938	0.4
148.01590	0.6
148.05209	0.8
151.03954	3.7
152.99530	3.1
161.02298	0.5
177.01894	1.3
178.02586	0.8
179.03458	3.1
180.04163	1.0
181.05040	0.4
195.03018	0.9
223.02548	0.5
231.10287	0.5
233.08191	4.1
234.08392	0.4
243.60033	0.4
253.03506	0.4
275.09421	0.6
293.10406	3.0
295.12033	1.0
311.11404	6.2
312.11835	0.8
321.09961	2.6
333.09879	1.1
336.35046	0.3
339.10870	3.8
340.11169	0.4
351.10861	5.7
352.11426	0.7
369.12143	2.3
381.13428	0.8
438.70099	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2369
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
59.01253	0.7
60.74435	0.2
62.96289	0.3
69.69169	0.2
70.31799	0.9
78.95794	66.3
95.75371	0.2
96.96862	5.3
98.20481	0.3
105.46707	0.2
118.00090	0.2
150.97949	1.6
152.99525	100.0
153.99846	1.8
164.31122	0.2
171.00633	2.5
196.63007	0.2
202.95605	0.2
255.23383	2.7
267.84021	0.2
409.23697	19.8
410.24036	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	409.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	4.1
56.99493	0.3
57.03334	3.5
58.00484	1.2
58.43766	0.3
59.01262	53.5
60.01602	0.7
61.98719	1.2
68.99726	0.6
69.03338	1.5
70.13667	1.3
71.01268	42.5
72.01606	0.5
72.99194	2.6
73.02834	20.5
75.00768	2.3
78.95801	0.6
81.03332	0.5
83.01275	17.3
84.01601	0.3
84.02060	0.3
84.72674	0.3
85.02839	24.6
85.99978	1.4
86.03182	0.6
87.00759	2.5
87.04453	0.3
89.02340	5.1
90.46296	0.3
95.01272	2.7
96.95918	0.5
97.02859	1.4
98.19887	0.4
99.00778	7.3
99.08042	0.8
100.01166	0.3
100.57993	0.3
101.02342	51.5
101.09659	0.3
102.02689	1.0
103.03886	2.3
109.02859	0.7
111.00777	1.3
113.02354	17.0
114.02699	1.0
119.03443	1.3
125.02348	2.1
129.01845	1.6
131.03363	0.4
134.03645	0.7
143.03458	1.8
145.05006	0.6
159.02943	3.3
161.04494	16.6
162.04855	1.0
163.06020	1.1
171.10248	0.8
171.71059	0.3
179.05580	0.3
187.13284	0.4
191.03477	0.4
205.03548	1.1
229.07172	0.8
231.10301	0.3
247.08180	1.3
263.15030	100.0
264.15390	6.5
289.16660	0.3
293.10141	0.4
307.14050	1.3
307.17670	1.2
323.48303	0.3
349.18649	1.3
349.25784	0.3
409.20816	31.5
410.21204	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	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88239	1.3
57.03317	3.8
58.00486	1.6
59.01263	100.0
60.99199	1.6
61.98711	4.6
71.01268	52.5
71.57330	2.3
72.01584	1.4
72.99190	4.7
73.02829	13.7
75.00758	10.9
78.74458	1.3
79.90263	1.5
83.01252	7.7
85.02834	17.3
87.00764	7.9
87.04417	3.2
89.02332	22.2
92.63393	1.2
93.03323	2.5
95.01266	2.0
96.95904	5.2
99.00777	3.6
101.02347	37.6
109.02866	7.5
113.02345	18.9
115.00272	2.9
117.75795	1.5
119.03440	8.6
121.02866	3.1
121.88000	1.4
129.01883	1.9
133.02832	1.9
134.03673	7.1
135.04529	6.8
135.72218	1.5
137.02321	3.5
141.09134	11.5
142.09584	1.5
143.03464	2.6
143.10706	2.1
149.02420	1.3
159.02959	4.4
161.02425	3.1
161.04497	27.7
162.04933	2.0
179.05620	2.0
187.07666	1.6
187.13312	3.5
191.03471	5.6
205.03389	2.0
231.10281	1.7
275.09027	2.3
293.10431	3.5
307.17691	1.8
349.18723	62.5
350.18985	6.5
409.19290	1.6
410.20923	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25562	1.1
59.01264	100.0
60.12996	1.1
61.98727	1.8
63.11143	0.9
69.78326	1.1
70.75623	2.3
70.75995	2.3
71.00898	2.0
71.01271	28.6
72.99194	1.6
73.02843	3.2
75.00766	2.9
76.28840	1.2
85.02836	6.5
89.02332	28.4
89.96436	1.1
90.02655	1.2
95.01283	1.7
96.95872	1.4
99.00780	1.1
101.02348	20.6
109.89873	1.1
113.02357	12.1
114.66535	1.2
119.03418	13.5
120.88424	1.0
122.06023	1.3
143.03438	2.6
161.04478	8.3
179.05556	8.2
187.13354	3.4
205.03568	1.2
211.32431	1.2
217.10971	1.3
303.13626	1.1
349.18732	42.3
350.19156	2.6
404.67136	1.1
409.20569	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	409.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74934	0.4
58.99461	0.4
59.01262	6.5
70.96129	1.0
71.01257	2.7
73.02857	0.6
75.00766	1.1
77.10075	0.4
78.95785	0.9
81.92702	0.4
87.00776	0.4
89.02346	0.6
93.03322	0.6
96.95919	0.9
101.02350	0.8
102.98505	3.2
104.83423	0.4
108.02044	0.9
109.02860	0.9
113.02356	1.0
115.85389	0.5
121.02865	100.0
122.03191	4.0
133.02927	0.6
134.03650	1.7
135.04442	2.6
152.01128	0.6
159.11743	1.3
161.02451	0.6
163.03973	1.4
168.21429	0.5
177.01926	0.9
178.02690	1.0
179.03340	0.6
185.09769	0.5
191.03484	3.7
192.04271	0.6
247.09775	1.6
293.10474	0.5
326.45462	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52023	0.4
55.01770	0.5
57.03334	0.6
58.00467	0.5
59.01265	100.0
60.01600	1.3
61.98724	1.6
69.03336	0.5
69.24557	4.6
71.01271	19.0
72.99202	1.4
73.02835	3.3
75.00780	1.5
75.56848	0.4
75.57288	0.5
83.01302	1.2
85.02846	5.1
87.00787	1.4
89.02340	17.8
95.01308	1.2
96.95917	0.5
97.02868	0.5
98.19800	0.6
99.00791	1.4
101.02348	13.2
113.02359	7.9
113.56152	0.4
119.03420	7.3
131.03433	1.2
134.03618	0.6
143.03433	2.5
149.04524	0.9
155.10768	1.9
157.08664	2.6
159.03035	0.5
161.04512	7.9
176.04770	0.4
179.05586	7.8
203.03603	0.5
217.10818	4.2
245.08385	0.5
253.83202	0.4
259.12054	0.4
287.11780	0.5
305.12723	0.7
305.16129	20.5
306.16440	2.1
319.14160	1.1
331.17712	3.2
349.12039	0.9
349.18707	5.7
350.19089	0.6
351.81461	0.5
409.16443	0.6
409.20959	2.0
409.28500	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	409.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.8
61.86416	0.4
70.51139	0.9
70.51496	1.2
71.01273	2.5
75.00756	1.6
85.02873	0.5
88.98678	0.7
89.02345	0.5
91.05424	0.6
96.95882	0.5
97.06491	0.5
101.02331	0.7
102.32750	0.4
102.34451	0.5
103.80442	0.5
105.03348	0.5
107.04932	1.6
108.02075	7.9
109.02880	3.2
117.03389	1.2
119.04927	1.7
119.25052	0.5
121.02866	8.7
122.03662	0.5
124.01536	0.7
129.03378	0.8
133.02881	1.0
134.03674	3.0
135.04451	41.0
136.04758	0.8
136.77220	0.4
137.02397	0.5
145.02879	3.7
146.03473	0.5
147.04457	5.0
148.05258	2.3
150.03207	1.0
151.03943	1.6
152.01105	5.3
152.99481	0.5
161.02367	1.0
162.03183	1.7
163.03966	20.7
164.04248	0.9
173.02412	3.5
174.03191	0.5
177.01894	1.0
178.02678	1.7
190.41530	0.5
191.03477	100.0
192.04192	19.3
193.04700	0.9
205.08679	1.9
271.09976	0.5
275.09460	0.7
279.45248	0.5
289.10898	3.6
321.13544	1.0
329.23520	2.3
350.63657	0.5
409.17935	4.4
409.68005	2.1
429.10532	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	409.115
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52661	0.3
59.01269	4.6
61.98731	0.5
68.99706	0.5
70.01569	1.7
71.01273	3.3
75.00770	0.7
91.05424	0.8
93.03366	1.1
95.04918	0.7
97.06500	2.5
101.60928	0.3
103.05427	0.4
105.03369	0.9
107.04920	1.8
107.57408	0.3
108.02080	14.7
109.02272	0.4
109.02885	5.6
117.03380	1.5
119.04949	3.5
121.02876	11.8
124.01575	0.3
129.03383	1.3
132.27274	0.4
133.02896	0.7
134.03667	4.3
135.04448	25.5
136.04860	1.1
137.02382	0.6
143.10687	0.5
145.01857	0.4
145.02905	4.3
145.03960	0.6
146.03680	0.4
147.04460	10.4
148.05246	3.0
149.02309	0.4
150.03165	1.3
151.03946	0.5
161.02422	1.5
162.03191	1.6
163.03961	25.0
164.04340	1.2
173.02396	5.6
174.03043	0.6
177.09157	0.6
178.02734	0.5
187.13365	0.4
191.03471	100.0
192.04166	17.3
193.04843	1.3
205.08649	2.5
217.08748	0.7
257.08389	0.3
271.09738	1.6
289.10907	7.0
290.11243	0.8
307.11926	1.1
321.13425	1.8
375.66882	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92400	0.3
55.18840	0.3
57.15031	0.3
59.01266	9.4
61.98711	0.4
62.76150	0.3
68.99705	0.4
71.01273	2.4
71.56626	0.6
72.99207	0.4
73.02843	0.7
75.00748	1.6
80.56953	0.3
83.01286	0.5
85.02850	0.4
91.05451	0.7
93.03368	0.9
96.95931	1.3
97.06479	0.9
101.02344	0.7
102.52676	0.4
105.03383	0.4
107.04947	1.4
108.02076	7.9
109.02865	7.8
113.02362	0.4
117.03353	0.8
119.04954	2.7
121.02876	10.4
123.94498	0.3
124.01585	0.7
129.03392	1.1
133.02879	1.1
134.03674	3.8
135.04459	47.8
136.04779	1.7
137.02356	0.8
145.02888	4.1
147.04460	7.0
148.05283	2.3
149.06071	0.5
150.03156	1.3
151.03949	1.6
152.01144	0.5
161.02382	1.5
162.03169	1.4
163.03969	23.7
164.04321	1.0
173.02414	4.3
174.03090	0.5
177.01923	0.7
177.09183	0.8
178.02654	2.0
179.03365	0.5
189.01974	0.3
190.02731	0.4
191.03481	100.0
192.04195	19.4
193.04739	1.8
204.04178	0.5
205.08734	2.0
231.10199	0.6
237.47137	0.3
271.09940	0.4
275.09201	0.4
282.92624	0.3
289.10925	3.8
290.11371	0.4
293.10361	0.7
307.12100	0.4
321.13394	1.0
349.18704	0.6
405.07700	0.4
409.18762	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	409.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.5
59.58112	1.7
63.37275	1.5
71.01268	7.7
72.99203	2.7
75.00764	77.4
85.02831	3.4
86.69357	1.4
97.06464	2.0
108.02088	1.7
109.02862	27.2
113.02350	2.0
113.48104	1.6
113.95065	1.6
115.22503	1.6
118.99781	3.4
121.02862	2.7
121.06506	4.4
122.03668	1.9
123.04440	3.7
135.04446	3.6
146.25533	1.7
148.05247	4.0
149.06047	2.1
151.03937	10.0
158.03737	2.8
159.04463	4.7
160.01553	1.6
163.07623	1.8
172.05238	5.7
173.06041	4.6
175.03885	2.6
175.07651	2.0
176.04767	16.8
177.09160	3.8
184.05247	8.0
187.03998	5.4
187.07623	36.1
188.08003	2.3
197.06090	8.6
198.06824	4.2
200.04771	5.5
201.05562	3.8
201.09195	2.4
202.06367	26.4
203.06712	2.5
203.10735	2.7
205.08693	20.0
213.05870	1.8
213.09198	47.1
214.06303	2.4
214.09531	3.2
215.07196	4.5
217.08737	5.1
227.03378	2.2
228.04335	5.6
229.08711	9.9
229.52235	2.4
231.10275	100.0
232.10587	9.0
237.11337	12.2
245.11871	5.5
249.11308	2.4
257.08231	83.7
258.08487	8.3
271.09766	3.0
275.09320	21.1
283.98602	1.7
285.03955	2.5
289.07532	3.0
289.10867	11.1
303.12317	7.8
321.13464	2.0
321.24121	1.9
333.09848	39.3
334.10184	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	407.2212
Annotation	1-(9Z-hexadecenoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
58.19979	0.2
59.01258	2.0
62.96290	0.4
71.01263	0.4
71.36160	0.3
71.36473	0.3
78.95792	100.0
80.12270	0.3
96.96863	9.2
101.02377	0.3
113.17838	0.2
119.73196	0.2
137.83907	0.3
150.97955	1.6
152.99521	86.3
153.99863	2.1
157.67996	0.3
161.04544	0.3
171.00594	67.9
172.00974	1.2
325.18436	0.7
333.63452	0.3
407.22278	3.7
408.22766	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.6
57.03337	2.7
58.00483	4.5
59.01264	92.3
60.01603	1.4
61.98724	2.0
69.24297	3.0
69.24725	3.0
71.01269	58.0
71.04940	0.8
72.01616	1.6
72.99204	6.1
73.02832	8.7
75.00780	2.3
78.45826	0.6
83.01273	5.3
83.04935	0.6
85.02843	18.4
87.00768	6.1
87.04411	3.7
89.02336	57.5
90.02676	1.3
95.01275	4.3
97.02856	1.1
97.06521	0.7
99.00779	3.2
101.02345	47.3
101.05988	1.0
102.02713	1.6
107.03432	0.6
111.86636	0.6
113.02357	29.4
114.02695	1.1
115.07584	0.7
119.03421	26.4
120.03766	0.8
125.02387	1.0
125.11727	0.5
127.84548	0.6
129.01884	0.8
131.03386	3.4
143.03441	5.2
147.11702	0.6
149.04517	1.9
159.03003	2.0
159.10223	2.2
161.04497	13.5
162.04765	0.6
171.10217	0.7
173.11790	1.6
179.05568	14.1
180.06046	0.8
187.07677	1.0
195.13913	0.7
197.08336	0.6
197.15591	0.7
203.12859	7.0
205.03531	0.6
209.15565	1.0
213.15070	1.0
215.13008	1.4
225.15077	1.6
227.12936	0.7
227.16591	1.1
231.10323	0.7
233.13966	4.2
243.16054	0.9
245.04443	0.7
245.17639	12.5
266.47263	0.5
275.09326	3.7
277.06067	0.7
277.13708	0.6
315.51498	0.6
325.03763	0.7
347.17172	3.3
365.18521	2.2
407.23154	100.0
408.23553	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	407.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.7
59.01262	24.4
60.29388	1.0
61.98707	2.5
71.01267	24.1
71.04926	1.7
71.56776	1.2
72.99185	1.7
75.00750	1.4
80.91584	5.4
83.04919	1.7
84.02068	2.3
85.02840	2.4
95.04937	3.3
96.95891	2.1
97.06485	3.0
99.08056	1.4
101.02345	1.5
113.02367	1.8
117.16527	1.2
120.99569	2.6
121.02915	1.3
123.04417	8.1
123.08093	1.6
125.09657	2.3
125.99284	1.2
127.07582	12.3
135.08151	1.2
137.09544	1.2
139.07591	3.3
153.09152	4.6
153.12784	1.3
161.04590	1.5
165.01637	2.3
165.12807	1.2
171.10158	7.6
179.10471	1.5
185.11775	7.0
197.11774	8.3
207.06508	1.8
207.10016	20.2
208.10263	1.5
209.11819	25.0
210.12207	1.9
217.04800	1.3
219.10025	6.3
221.07968	8.3
231.10074	2.6
245.19232	1.7
247.09685	1.3
251.11348	1.7
256.09723	1.2
259.09622	1.5
260.10345	26.1
261.10635	2.0
264.09821	2.0
277.10580	4.6
278.11426	100.0
279.11691	7.0
289.15100	1.1
289.18207	5.5
307.19229	34.8
308.19543	2.7
319.18274	1.2
325.20193	25.2
326.20663	2.8
329.17398	44.9
330.17633	6.0
338.12341	1.8
347.18201	26.7
348.17908	3.9
407.16803	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	407.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01773	1.5
57.03342	2.9
58.00481	5.5
59.01266	100.0
60.01606	1.2
60.10213	0.3
61.98713	0.6
68.91380	0.3
69.03357	2.7
71.01272	56.2
71.04906	0.6
71.56283	0.6
72.01604	0.9
72.99200	7.5
73.02840	30.2
75.00764	8.9
76.50704	0.4
81.03342	0.7
83.01283	4.1
83.04923	0.5
85.02843	17.0
85.99982	1.8
86.03177	0.5
87.00776	13.5
87.04411	5.2
89.02340	45.7
90.02679	1.1
95.01283	1.5
96.95934	0.5
97.02866	1.5
97.06519	0.7
99.00784	1.2
99.04420	1.0
101.02351	60.5
102.02696	2.1
103.03920	22.5
104.04269	0.5
111.08067	0.8
113.02364	12.3
115.03938	6.0
115.07597	0.5
117.03387	1.2
118.98027	0.5
119.03426	21.4
120.03748	0.7
123.08103	0.8
125.02388	4.4
127.03963	2.3
131.03435	13.0
132.87164	0.4
143.03445	16.5
145.05002	6.6
149.04486	1.1
153.09155	1.0
161.04472	2.9
162.04753	0.4
163.06076	53.6
164.06395	1.8
165.12779	2.3
167.10605	0.6
171.10228	8.9
179.05580	5.8
183.13885	1.6
187.03981	0.4
187.13315	0.4
189.04012	0.5
201.05518	1.4
201.15019	0.5
205.07172	29.5
206.07489	1.5
209.11841	1.8
227.12900	6.7
228.13350	0.5
231.10199	0.6
245.13994	14.6
246.14320	1.5
253.09329	0.7
261.13425	1.1
265.09302	1.9
275.09326	0.8
287.14822	0.5
303.21683	0.6
347.17111	1.0
389.25476	2.7
407.19284	11.7
407.26483	30.2
408.19482	1.4
408.26913	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	406.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69124	1.4
58.02871	10.6
59.01260	8.8
60.01603	1.2
69.71872	6.6
71.01267	3.5
74.02358	25.8
81.04511	1.5
82.02854	2.9
86.02368	12.1
86.06018	3.0
87.05537	4.6
89.02357	3.8
97.03990	1.8
99.05536	22.9
101.02349	2.5
101.07101	5.2
102.05504	3.4
109.03994	4.8
109.07628	1.7
112.03951	2.8
113.03473	1.4
123.05560	1.9
124.03995	1.6
125.03500	4.3
127.05064	5.2
128.03455	71.1
133.06847	16.4
135.05560	7.3
137.07111	1.8
139.05064	1.7
141.06621	3.1
143.04561	91.9
144.04897	3.9
145.06142	4.4
146.04530	10.4
153.06636	6.4
155.08278	1.5
166.09789	4.4
167.04543	3.7
167.08180	6.6
170.03264	3.1
171.04053	3.6
179.04581	21.1
181.06064	1.5
184.10997	1.3
185.05714	2.8
192.07884	1.6
197.05606	6.1
210.08812	19.6
228.09837	2.1
232.84065	1.4
236.06844	1.2
254.07855	49.7
255.08144	2.8
272.08945	57.1
273.09213	4.1
277.12234	8.4
388.15628	11.4
401.40848	1.2
406.16647	100.0
406.21332	4.6
407.16791	9.7
413.66312	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	406.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	2.3
61.98715	100.0
71.55992	0.4
73.97465	0.3
78.95808	0.4
93.94212	0.3
117.34469	0.3
120.07680	0.3
182.86023	0.3
207.10298	0.3
308.81342	0.3
327.38293	0.3
406.16730	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	2.4
58.02863	12.9
59.01265	16.7
60.01613	2.0
66.03387	2.0
70.31337	3.9
71.01270	11.6
72.00798	1.3
72.01608	1.4
72.99198	0.9
73.08078	1.1
74.02362	26.9
79.30598	0.8
81.04482	2.4
82.02876	3.7
84.04424	1.0
85.02834	2.7
86.02370	12.6
86.06039	2.0
87.05537	5.7
89.02343	12.0
90.02705	1.7
96.04481	1.4
97.03976	3.0
99.05541	24.6
101.02340	6.5
101.07114	3.9
102.02696	1.2
102.05527	4.8
106.10108	0.8
107.06116	1.0
109.03993	3.3
109.07626	1.2
111.05518	2.6
112.03972	2.8
113.02367	2.7
113.03492	1.1
113.07169	1.1
114.02749	1.0
119.03429	6.6
120.03741	1.2
123.05605	2.4
124.03948	1.7
125.03520	4.9
127.05107	4.8
127.05952	0.9
128.03458	73.0
128.77094	0.8
129.03809	2.5
133.06868	16.6
135.05588	6.9
137.07112	1.2
139.05075	1.0
141.06602	2.5
143.04555	100.0
144.04904	3.3
145.06137	4.6
146.04535	10.2
149.07149	1.2
150.19835	0.9
153.06628	5.8
155.08246	1.5
161.04494	2.3
166.09821	3.2
167.04613	2.7
167.08241	5.9
170.03261	2.5
171.04070	2.3
179.04553	24.8
181.06158	2.4
185.05704	2.7
192.07802	3.1
197.05634	5.7
210.08826	19.4
211.09085	1.4
228.09972	2.1
243.15953	1.2
244.13654	1.0
244.16260	1.6
254.07861	52.8
255.08096	4.4
272.08939	62.9
273.09192	3.5
277.12296	7.3
278.12585	1.2
308.07321	1.8
316.24033	0.9
347.17398	0.8
388.15503	14.4
389.15891	1.5
406.16672	99.4
406.21680	11.2
407.16769	7.8
434.82877	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	4.0
58.00470	0.8
59.01264	32.9
63.73462	0.4
69.03358	0.7
69.43105	3.0
71.01266	3.2
71.04900	1.7
72.99197	4.0
73.02835	2.7
75.00762	21.7
83.04906	1.0
85.02823	1.5
87.00751	0.6
87.04404	4.7
89.02334	2.1
95.04911	0.7
96.95905	0.6
97.06491	7.1
99.04414	1.9
99.08015	0.5
101.02338	1.7
101.05975	0.7
109.06506	3.5
111.04455	0.4
111.08056	3.8
113.02348	1.5
113.09648	1.2
119.03418	1.0
123.08076	20.6
124.08402	1.1
125.09673	0.5
127.11125	0.5
129.09102	0.8
135.04445	0.8
135.08060	2.1
137.02353	0.7
137.09616	0.8
138.06763	1.4
139.07608	0.4
139.11224	1.1
141.08110	0.6
141.09146	11.2
142.09476	0.6
143.03468	0.4
143.10716	0.7
149.09666	0.6
151.07507	0.4
153.09155	7.9
155.10722	0.9
157.08684	0.5
161.02451	0.6
161.04562	0.6
165.09149	0.5
167.10666	0.7
169.12344	0.5
169.24146	0.3
171.10168	0.5
173.11763	0.9
179.05640	0.5
181.12311	1.4
182.53900	0.4
183.10190	1.9
187.09721	100.0
188.10051	5.5
199.09674	0.4
199.13387	0.6
201.11325	0.9
209.72525	0.4
217.10841	4.1
217.14485	1.6
225.11320	1.3
225.15067	0.4
231.12392	15.3
232.12767	1.1
243.06662	0.4
243.12419	8.6
243.16109	0.6
244.12718	0.6
249.18710	0.5
257.14185	0.9
277.18210	0.4
283.11002	0.7
285.13123	0.5
304.78073	0.5
311.10382	1.0
319.21350	1.1
323.22635	0.5
345.23257	0.7
357.23129	0.5
363.24094	0.7
375.23886	0.8
387.24017	10.2
388.24185	1.0
393.54904	0.4
405.25076	96.8
406.25412	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	405.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.5
59.01268	3.5
62.91064	0.3
70.58879	1.2
71.01278	1.8
72.99194	6.9
73.02840	2.7
74.73728	0.4
75.00763	100.0
76.01096	1.4
80.05476	0.3
81.00873	0.3
83.01260	0.4
85.02833	0.7
87.04398	0.4
89.02351	1.2
91.90340	0.3
97.06471	0.4
101.02355	1.2
111.08072	0.7
113.02371	0.7
113.09676	0.4
115.27936	0.3
123.08169	0.4
137.02487	0.4
139.07581	0.4
146.03159	0.4
187.13359	0.4
243.12387	0.8
276.92542	0.4
287.36911	0.3
293.21390	0.9
387.23984	0.6
405.25107	95.8
406.25381	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	405.2422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
61.98719	18.6
70.00632	31.7
71.01275	12.9
71.59423	9.0
75.00760	14.5
75.13139	8.2
89.02323	12.5
94.04325	8.8
101.02331	11.6
131.34244	9.1
166.98650	8.2
184.35426	8.8
333.24435	16.7
381.05994	9.2
405.26688	28.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2137
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01754	1.2
57.03311	1.5
58.00463	2.0
59.01264	53.7
60.01583	0.6
69.03337	0.6
70.89472	0.7
70.89803	0.6
71.01267	44.6
71.04902	0.5
72.01595	0.7
72.99199	4.3
73.02809	2.0
75.00761	12.4
83.01252	2.0
85.02837	7.7
87.00750	1.4
87.04414	0.5
89.02335	32.3
90.02643	0.8
95.01287	2.6
97.06451	0.9
101.02338	21.4
102.02658	0.5
107.01242	0.4
109.33614	0.4
113.02351	12.7
119.02598	0.7
119.03415	12.9
125.02367	1.2
127.07540	0.5
127.11182	1.6
131.03409	0.8
135.04454	0.5
139.11217	1.2
143.03372	1.7
149.04417	0.7
151.00285	0.9
152.01068	0.7
153.11647	0.5
153.12785	7.7
161.04434	1.9
179.05569	4.0
181.12218	1.1
199.13373	5.7
225.14948	5.0
242.05872	0.9
243.06575	1.2
253.18112	0.6
266.80307	0.4
343.24896	0.8
345.22562	1.2
387.20093	0.6
405.21130	100.0
406.16861	0.8
406.21600	11.9
406.26437	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	405.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.7
56.99705	0.3
57.03339	5.5
58.00483	3.6
59.01264	75.1
60.01598	0.9
68.99716	0.3
69.03338	1.6
71.01269	84.8
71.04909	2.1
71.35163	0.5
72.01604	1.4
72.99200	6.2
73.02834	9.4
74.03194	0.3
75.00767	1.0
80.02566	0.2
81.03357	0.9
81.54637	0.2
83.01277	5.0
83.04914	0.7
84.02059	0.3
85.02843	20.3
85.06490	0.4
86.03199	0.5
87.00773	4.0
87.04373	0.2
89.02337	73.3
90.02660	1.0
90.70562	0.2
90.89030	0.2
91.90420	0.2
95.01288	5.3
95.04921	0.9
96.95852	0.3
97.02844	3.3
97.06486	1.4
98.03639	3.1
99.00786	3.9
99.04421	4.4
99.08060	0.2
101.02345	48.4
102.02700	1.3
107.03401	0.3
109.02867	0.3
109.06519	1.2
111.00780	0.5
111.04433	0.3
111.08080	0.5
113.02357	32.8
113.05976	0.8
114.02676	0.8
115.00296	0.2
115.03902	0.4
119.03415	33.1
120.03773	0.8
120.53822	0.2
121.06507	0.9
122.03680	0.2
123.04435	0.3
123.08080	5.0
125.02374	1.2
125.06004	0.4
125.09637	2.9
127.07554	1.9
129.01871	0.7
131.03418	3.8
133.01334	0.3
133.10141	0.3
135.08101	0.9
137.06032	0.6
137.09653	4.8
138.06802	3.8
138.09949	0.4
139.07555	0.6
141.09148	10.8
142.09480	0.4
143.03435	7.6
144.03786	0.3
145.10141	0.3
147.11732	0.4
149.04498	3.4
149.09610	0.4
150.06764	0.4
151.07579	0.7
151.11214	2.4
153.09154	10.2
153.12703	0.3
154.09468	0.7
155.10718	1.2
159.02913	2.9
161.04503	23.6
162.04860	0.7
163.11237	2.3
165.09163	10.9
165.12798	0.6
166.09486	0.6
167.10709	0.8
173.09575	0.2
179.05568	19.1
179.10762	0.4
180.05884	0.7
181.12317	2.1
183.10194	0.8
187.11273	0.5
189.12810	2.6
190.13203	0.2
193.12341	1.2
195.13882	3.0
197.15401	0.3
205.03526	0.9
205.12317	1.5
207.13887	8.1
208.14221	0.6
211.13383	1.1
223.13387	2.6
225.14967	13.0
226.15289	1.0
241.14478	3.7
242.14923	0.3
243.16035	100.0
244.16376	7.3
257.14078	0.3
285.17206	0.3
289.11981	0.3
310.25320	0.2
343.09534	0.2
405.21384	62.5
406.21692	8.0
406.27097	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2139
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01768	1.2
57.03335	0.7
58.00481	2.1
59.01265	52.7
60.01591	0.8
63.18272	0.4
70.59957	0.7
70.60300	0.5
71.01268	50.0
72.01598	0.8
72.99188	3.1
73.02839	1.4
75.00766	10.6
83.01273	1.7
85.02841	5.5
87.00783	1.1
89.02336	27.2
90.02688	0.7
95.01289	2.5
99.00795	0.5
101.02345	17.9
108.02115	1.7
113.02355	10.5
116.51897	0.4
119.03416	10.7
123.54830	0.3
127.11188	1.3
131.03412	0.7
139.11205	1.2
142.01819	0.4
143.03394	1.0
149.04466	0.7
152.01062	1.8
153.12790	3.4
161.04440	1.1
179.05571	2.1
181.12308	0.9
199.13377	5.7
200.13710	0.6
202.12053	0.4
207.13860	0.9
225.14818	2.1
243.06247	0.4
243.15945	0.8
285.12421	1.4
329.23413	7.3
330.23666	0.5
343.24756	0.9
387.20096	1.7
405.21170	100.0
406.21472	10.3
414.89621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2137
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
55.01767	2.1
57.03323	1.6
58.00469	1.3
59.01263	32.6
61.98697	0.5
69.45014	2.1
69.45430	1.0
71.01267	22.0
72.99197	1.7
73.02832	4.3
73.07940	0.3
75.00746	1.4
83.01266	3.5
85.02842	7.8
85.06478	2.7
87.00778	1.9
89.02336	12.7
95.01278	1.3
96.95863	0.5
97.02849	0.5
97.06493	0.7
98.19827	0.8
99.00780	3.7
101.02338	15.0
102.02685	0.5
105.46305	0.3
109.02863	0.4
113.02350	7.8
113.09621	0.4
116.92103	0.3
119.03408	4.9
131.03369	0.7
132.18893	0.4
153.12813	0.5
155.14357	5.7
161.04486	1.1
179.05550	0.4
181.12254	0.5
181.15950	3.5
191.03442	0.5
193.06923	0.4
199.13365	15.4
200.13634	1.0
225.14883	3.9
243.15878	0.7
308.05533	0.7
387.20328	1.1
404.81717	0.4
405.21335	100.0
406.21683	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	405.2138
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
55.01765	1.6
57.03341	1.5
58.00475	1.5
59.01262	46.5
60.01610	0.5
61.98718	0.5
65.27035	0.2
69.03348	0.3
71.01268	23.4
71.57327	0.4
72.01608	0.3
72.99201	2.4
73.02835	5.2
75.00755	2.2
83.01276	2.5
85.02840	8.7
85.06477	2.6
85.99992	0.2
87.00318	0.3
87.00760	1.5
89.02336	13.0
95.01278	1.6
96.95911	0.2
97.02886	0.3
97.06489	0.7
99.00774	4.3
101.02340	15.1
102.02703	0.3
109.06532	0.3
113.02351	8.4
113.09648	0.5
119.03407	4.8
120.99565	0.4
125.02361	0.5
127.11264	0.4
129.01926	0.2
141.01810	0.2
143.03418	0.6
149.04509	0.3
153.12787	0.5
154.33046	0.2
155.14355	5.6
156.14659	0.3
159.02914	0.3
161.04500	3.3
162.04790	0.2
165.12778	0.9
179.05553	0.5
181.12369	0.5
181.15918	3.8
182.16342	0.2
199.13362	14.7
200.13696	1.3
201.14890	0.3
225.14952	6.1
226.15239	0.4
253.14485	0.2
299.22385	0.3
327.18152	0.2
329.23285	0.7
345.19226	10.9
346.19638	1.0
363.20187	0.5
387.20187	0.6
405.21268	100.0
406.21606	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	405.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	0.9
57.03338	1.1
58.00482	2.2
59.01265	58.7
60.01607	0.9
69.03331	0.8
69.35323	0.8
69.35744	2.4
71.01272	44.4
72.01602	0.6
72.99202	4.3
73.02821	2.4
75.00767	16.5
83.01287	1.8
84.55836	0.3
85.02847	7.2
87.00776	2.4
88.23894	0.4
89.02339	33.2
90.02682	0.4
95.01294	2.1
97.02819	0.5
97.06496	1.0
99.00794	0.7
101.02348	22.1
107.01295	0.8
108.02084	0.6
109.02827	0.6
109.06488	0.4
110.21602	0.3
113.02357	13.2
119.03418	13.9
119.18826	0.4
120.03693	0.4
121.02837	0.3
123.08083	0.4
125.02346	1.5
125.03140	0.3
127.07561	0.6
127.11208	1.4
131.03400	1.3
135.04425	0.7
137.02260	0.4
139.11218	1.1
143.03487	1.6
149.04480	0.8
151.00284	1.1
152.01067	0.6
153.01871	0.4
153.12782	7.8
154.13081	0.4
161.04462	1.7
179.05559	3.7
181.12248	0.8
199.13380	4.8
225.14963	5.1
226.15271	0.5
242.05820	1.1
243.06601	1.5
243.15907	0.5
245.08147	1.0
253.18089	0.5
253.68518	0.4
285.45767	0.3
343.24774	0.5
345.22711	1.3
347.21033	0.4
375.23892	0.4
387.19968	0.9
405.21118	100.0
406.21573	12.2
406.26416	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1775
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.0
58.00501	0.8
59.01265	23.5
63.72678	0.4
69.54751	3.0
71.01264	5.6
71.04898	1.0
72.99197	0.8
73.02831	44.3
74.03156	0.7
75.00766	2.8
85.02837	1.7
87.04413	1.4
89.02335	5.2
91.91691	0.4
98.19829	0.9
101.02395	2.8
113.02338	2.9
117.49885	0.5
119.02557	0.4
119.03391	2.2
125.09647	9.7
126.09985	0.5
134.82248	0.5
139.11211	0.6
151.03833	0.4
161.04510	2.0
161.27985	0.4
163.46191	0.4
169.08675	4.9
177.03375	0.5
179.05566	0.7
181.12312	4.2
183.10228	16.6
184.10603	0.7
187.09837	0.5
199.13364	8.2
225.11330	7.4
225.14941	1.0
226.11861	0.7
243.12395	100.0
244.12718	7.6
267.12375	1.3
285.13446	2.4
311.10480	0.9
345.15512	1.1
361.15051	0.5
387.24014	1.2
405.12231	0.7
405.17365	8.5
405.25317	9.0
406.17856	1.2
406.25317	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
54.59793	0.4
55.01762	0.7
57.03334	0.9
57.66811	0.5
59.01263	21.1
63.30346	0.4
69.47175	3.7
71.01268	3.7
71.04927	1.1
72.99182	0.4
73.02834	35.1
74.03156	0.6
75.00764	2.5
79.35563	0.4
79.38295	0.4
83.01276	0.9
83.04910	0.5
85.02845	1.6
87.04401	2.2
89.02332	2.1
97.06476	0.5
98.20580	0.4
99.00814	0.5
101.02343	2.0
113.02349	1.7
119.03401	0.9
123.08028	0.8
124.95605	0.4
125.09637	8.1
139.11208	7.3
153.09148	1.1
161.04498	0.6
163.11226	0.5
163.64061	0.4
165.09300	0.5
165.12720	0.5
169.08661	4.0
181.12296	7.8
183.10229	9.8
187.09677	1.2
199.13379	11.0
200.13820	0.6
201.11282	1.3
217.10829	1.7
225.11308	5.4
231.12416	1.3
243.12396	100.0
244.12726	7.7
267.12564	0.8
268.84390	0.4
285.13531	2.5
311.10367	0.9
345.15750	0.9
387.24152	1.5
405.17740	5.3
405.24994	13.3
406.18112	0.8
406.25238	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01766	2.0
57.03336	3.5
59.01265	61.5
60.01593	1.3
61.98730	2.6
65.83833	1.1
67.69124	1.0
69.03372	1.3
70.33294	5.1
71.01268	23.3
72.27518	1.0
72.98781	2.2
72.99197	45.1
73.02831	9.2
75.00761	33.3
81.03370	1.2
83.01287	3.6
85.02838	9.3
87.00777	2.9
87.04404	3.8
89.02345	11.0
94.36085	1.4
95.01252	1.8
97.06470	3.3
99.00788	1.7
99.04480	1.2
101.02341	14.8
103.00256	1.6
108.02074	1.6
113.02369	7.1
119.03405	3.6
119.04920	2.7
122.06010	2.0
125.02371	1.5
126.79298	1.2
131.03444	1.3
141.09106	1.7
143.03455	1.9
143.04547	3.5
145.02959	1.2
150.05582	1.2
156.85495	1.2
161.04529	3.9
161.76225	1.2
171.10233	1.3
177.03320	6.8
179.05563	2.2
183.10188	2.1
199.07596	4.4
199.13379	2.0
201.11374	1.4
203.12946	1.5
225.11313	3.5
225.15012	1.4
227.94229	1.2
243.12465	17.6
243.16064	3.6
248.73572	1.2
257.13992	100.0
258.14328	8.3
259.11862	5.0
285.13452	1.7
293.09738	1.5
301.12897	5.8
301.68533	1.5
311.10474	3.0
319.13992	9.2
329.11548	1.4
345.15466	1.3
361.15063	34.6
362.15356	2.8
363.16626	4.2
405.12927	2.6
405.16891	7.0
405.22284	2.6
405.25751	12.7
406.06155	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1199
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.00543	0.4
51.02280	1.0
55.01755	0.8
55.10938	0.4
55.46129	0.4
57.03336	0.5
59.01262	11.4
59.28328	0.4
67.31831	0.4
69.03341	67.3
70.03684	1.5
70.89607	0.8
70.89926	0.6
71.01266	7.5
73.02842	0.6
75.00764	3.4
79.01315	0.8
79.01772	15.0
79.02200	1.0
81.03349	3.6
83.01294	0.7
85.02853	2.9
86.44044	0.5
89.02334	5.3
93.03381	0.7
95.01288	7.6
97.02848	37.6
98.03143	0.5
101.02335	3.5
102.55160	0.5
107.01291	51.6
108.02105	11.3
109.02869	6.6
113.02346	2.4
119.03423	2.1
121.02869	6.8
122.03636	1.1
123.00790	13.3
123.04430	0.7
125.02364	80.8
126.02666	2.8
132.69681	0.5
133.02866	2.3
134.03659	1.6
135.00800	2.5
135.04451	2.6
135.05331	0.5
136.01591	6.9
137.02394	6.0
145.02901	1.0
147.04445	0.6
149.02365	4.9
150.03128	0.7
151.00307	89.1
151.03929	1.4
152.00919	4.1
153.01862	16.8
153.12785	1.0
161.02361	0.9
161.04550	0.6
162.03110	0.7
163.03957	8.7
175.03958	1.3
177.01897	12.1
179.03493	0.6
179.05598	0.9
191.03484	1.0
197.06056	5.4
198.06636	1.0
199.07669	0.5
206.02299	0.6
207.02954	0.9
211.07675	0.5
213.05562	1.1
215.07173	1.1
219.03008	0.6
225.05409	0.6
225.14966	1.0
242.05859	100.0
243.06612	55.5
243.09288	1.0
244.06961	4.0
255.06799	0.7
285.07709	6.6
297.06143	20.2
298.06528	1.1
314.16125	0.5
405.12030	21.6
405.20801	12.6
406.12497	2.8
406.21570	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	405.1201
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
51.02290	0.6
55.01773	0.8
57.03319	0.7
58.81855	0.4
59.01266	10.5
59.31843	0.3
68.99705	0.4
69.03343	66.8
70.03682	1.5
71.01270	6.7
71.05340	0.6
71.05686	0.8
72.99204	0.8
73.02833	0.9
75.00772	2.1
79.01314	0.9
79.01781	18.7
81.03339	3.4
83.01272	0.9
85.02842	3.4
87.00782	0.6
89.02341	4.2
91.37283	0.4
93.03353	0.5
95.01279	7.0
96.36309	0.4
97.02853	37.4
98.03201	0.9
101.02331	3.0
102.95061	0.4
107.01294	56.3
107.04932	0.6
108.01403	0.5
108.02125	10.7
109.02868	7.3
112.56734	0.3
113.02351	2.7
119.03416	1.9
119.04940	1.0
121.02861	7.2
122.03696	0.4
123.00795	12.6
123.04429	0.8
124.01154	0.4
125.02370	85.2
126.02689	2.7
127.11176	0.4
130.61172	0.4
131.03455	0.4
133.02898	3.2
134.03641	1.6
135.00839	2.8
135.04443	2.6
135.75757	0.4
136.01599	7.5
137.02379	6.3
145.02902	1.1
147.04430	0.8
149.02394	5.1
150.03156	0.7
151.00313	88.9
151.03882	1.7
152.00754	4.3
153.01877	19.1
153.12801	1.0
154.02223	0.6
161.02382	0.8
161.04448	0.6
162.03049	0.4
163.03958	9.3
169.06528	0.5
175.03888	0.8
177.01898	13.0
178.02275	0.5
179.03423	0.8
179.05698	0.4
189.01735	0.7
191.03474	1.1
193.05009	0.5
194.02228	0.6
195.02846	0.6
197.06068	6.2
198.06677	0.9
199.13460	0.8
207.02917	1.1
213.05542	1.3
215.07097	0.8
219.03004	1.0
225.05690	0.4
225.15060	0.6
242.05876	100.0
243.06613	56.8
243.09245	0.9
244.07040	4.6
244.90755	0.4
255.06715	0.4
267.06918	0.6
273.49789	0.4
285.07758	5.8
286.08020	0.6
297.06143	21.3
298.06503	1.4
312.29977	0.4
324.62238	0.4
387.27786	0.7
405.12051	22.1
405.20886	13.3
405.29321	0.9
406.12488	2.8
406.21292	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73248	0.8
59.01265	8.0
61.98717	100.0
71.56139	0.9
71.56551	1.6
75.00781	1.1
78.95754	0.9
91.28730	0.8
100.02307	0.8
121.38934	0.9
130.08725	1.1
165.69786	0.9
190.77660	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	2.1
55.43671	1.6
57.03319	4.2
58.00473	3.9
58.02840	5.9
59.01265	97.8
61.98715	3.6
69.86988	4.6
69.87407	4.9
71.01267	64.6
72.00796	2.2
72.99186	6.3
73.02837	17.7
73.29983	1.6
74.02361	14.5
75.00758	2.1
82.02857	1.9
83.01274	6.6
85.02845	16.6
86.02357	6.7
87.00782	8.2
87.05521	4.1
89.02343	44.7
90.02682	2.3
95.01263	4.9
99.00777	4.1
99.05551	14.4
101.01708	2.8
101.02354	44.9
113.02365	27.8
119.03418	21.4
122.06034	3.5
123.08059	2.9
127.05052	2.4
128.03461	43.5
128.97394	1.5
130.06224	1.7
131.03403	4.0
135.00673	1.7
135.05562	4.2
137.07208	1.9
139.07591	3.9
140.07907	2.1
141.06628	3.7
143.03442	6.5
143.04547	56.6
146.04489	4.6
149.04529	4.8
153.01851	3.2
153.06625	2.4
153.09198	2.3
159.02989	3.3
160.00699	14.9
161.04507	30.1
167.04578	3.8
168.04251	2.2
177.03328	6.5
179.04350	10.2
179.05714	5.3
181.12321	2.6
182.08185	3.9
193.12379	1.9
197.05611	3.1
203.05507	3.6
210.08830	9.6
220.91685	1.5
221.06729	1.7
241.14432	6.1
242.07800	2.8
242.14851	10.2
243.16048	24.7
254.07870	23.1
257.13965	4.2
272.08957	31.5
288.06650	9.4
306.07730	100.0
307.07959	7.3
331.88501	1.7
361.14734	1.9
404.15427	2.0
404.20184	14.8
405.21500	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3074
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03369	0.6
59.01264	100.0
60.01606	1.0
60.73452	0.6
61.98717	7.9
65.95300	0.6
71.01315	0.8
71.26703	0.9
71.27058	0.7
75.00772	1.8
87.00758	1.1
89.02361	0.6
93.98650	0.7
97.06522	0.7
103.79960	0.6
121.02839	0.8
123.88220	0.6
131.58395	0.6
135.04460	1.0
139.38931	0.6
143.82817	0.6
157.12236	1.5
161.02470	0.7
191.03534	0.7
192.04189	1.1
209.11691	0.9
215.07143	1.7
231.10291	0.6
243.06682	1.1
246.22897	0.7
329.23352	0.9
342.30493	0.7
343.28635	4.3
361.20398	1.1
421.70395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50397	11.2
57.41185	10.1
59.01257	100.0
59.45258	12.1
61.98709	40.9
71.01238	15.1
71.36941	20.5
71.70285	9.9
75.00748	12.2
77.08395	12.5
87.00771	43.4
105.06274	10.8
107.65492	10.5
126.41906	10.5
187.96754	11.7
205.31071	10.5
209.26772	10.4
243.81836	11.5
244.21895	10.9
256.77151	11.3
403.28500	25.6
405.95001	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	403.198
Annotation	Breyniaionoside A
Peak:m/z	Relative Intensity
53.72857	0.7
55.01767	3.3
55.60441	0.8
57.03336	28.1
58.00473	3.1
58.03672	1.0
59.01262	71.2
69.03355	2.4
71.01267	100.0
71.04910	2.5
71.57977	1.1
72.01586	1.9
72.99192	8.3
73.02831	22.5
73.03255	1.2
75.00764	8.2
80.02591	1.2
81.03364	1.6
83.01286	4.9
83.04914	1.6
85.02840	33.1
85.06480	1.4
87.00766	15.7
89.02335	62.5
90.02679	1.1
95.01262	7.1
95.04927	2.0
97.02847	3.8
97.06460	2.3
98.03634	14.2
99.00780	7.3
99.04426	12.6
101.02340	51.6
101.05992	0.7
102.02680	1.1
105.01836	9.2
109.02837	1.4
109.06499	4.8
111.04436	1.2
111.08075	1.6
113.02355	39.4
113.06023	2.0
115.03922	0.9
118.98005	0.6
119.03409	24.5
120.03736	0.9
121.06534	1.0
123.08070	10.4
125.02375	2.6
125.06011	1.8
125.09637	1.0
127.07550	2.4
129.01872	1.7
131.03418	2.0
136.05223	2.9
137.06023	1.0
137.09633	1.5
139.07568	1.0
141.09138	26.9
143.03452	7.0
147.08087	2.8
149.04498	1.4
149.06046	1.5
149.09613	0.9
150.06789	14.6
151.07486	1.2
153.09169	1.9
159.02916	7.0
161.04495	41.6
161.09685	1.7
162.04802	1.3
163.11205	5.5
165.09160	67.0
166.09557	4.4
167.10713	1.2
175.07611	3.2
179.05560	9.1
179.10754	4.7
179.14189	0.8
181.08650	0.8
181.12357	1.8
187.11224	4.3
190.09962	2.4
194.09373	1.7
195.13849	0.8
197.11778	1.2
205.03554	2.0
205.12314	36.2
206.12633	2.6
207.13721	1.0
221.11809	3.2
222.12611	8.7
223.13396	56.1
224.13708	4.4
239.12920	0.8
239.20628	1.0
241.05072	2.4
241.10751	2.1
241.14464	14.2
242.14859	0.8
247.13431	1.0
265.14536	0.8
268.58069	0.7
269.17603	1.8
270.17493	0.8
354.76813	0.8
385.18604	3.7
403.11264	1.5
403.19855	21.5
404.20099	2.9
415.74274	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	403.1979
Annotation	Pisumionoside
Peak:m/z	Relative Intensity
55.01769	1.2
57.03333	2.0
58.00464	1.3
59.01263	41.0
60.01603	0.5
61.98709	1.0
69.03334	0.9
71.01269	19.7
71.56941	0.6
72.99183	2.2
73.02444	0.5
73.02834	6.8
74.73373	0.4
75.00768	3.2
83.01270	3.5
85.02834	8.9
85.99952	0.8
87.00761	4.2
89.02335	3.8
94.07965	0.4
95.01286	1.4
96.95944	0.6
97.02850	1.1
97.06495	1.0
99.00769	2.4
101.01704	0.8
101.02345	13.0
112.01521	0.5
113.02341	5.5
119.03434	0.7
124.01591	0.4
125.02345	1.0
143.03362	0.5
153.12827	0.4
161.02409	0.4
161.04507	0.6
167.14485	0.5
173.05908	0.5
181.12283	1.7
187.07597	0.5
199.07530	0.6
199.13370	9.6
200.13721	0.7
213.14859	0.6
225.05576	0.9
241.08725	2.5
241.14363	0.8
242.08258	0.5
255.12450	0.8
306.11182	1.1
313.14285	0.6
317.19870	1.4
327.21738	1.5
329.13968	0.9
343.17639	13.4
344.17975	1.5
361.18750	39.5
362.19049	4.3
385.17313	0.5
403.19733	100.0
404.20163	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	403.1981
Annotation	Staphylionoside C
Peak:m/z	Relative Intensity
55.01752	2.5
57.03352	3.2
57.29478	0.5
58.00460	1.8
59.01268	40.4
61.98689	0.8
69.03333	0.9
69.25530	6.6
71.01272	33.7
71.04897	0.8
72.01575	0.6
72.99197	5.7
73.02838	11.8
75.00768	25.7
75.01196	1.6
79.01707	0.6
83.01290	7.4
85.02847	16.9
85.99938	0.8
87.00771	4.6
87.04396	1.0
89.01836	1.0
89.02341	12.3
95.01248	2.5
96.95877	1.7
97.02817	0.8
98.19830	1.3
99.00771	4.3
101.02351	25.8
101.05979	1.3
111.00755	1.1
113.01658	0.9
113.02363	12.3
119.03416	4.5
125.02384	0.8
130.66437	0.6
131.03285	0.6
135.04451	0.8
137.09605	1.3
152.01071	0.8
159.02934	1.4
161.04507	3.9
161.05632	0.6
163.03935	0.8
167.10651	1.4
171.10184	0.8
181.12169	0.6
195.13699	0.6
212.83450	0.6
223.03610	0.9
223.13243	0.6
225.05434	2.2
232.86813	0.6
241.04921	1.2
241.08672	5.1
241.14105	0.9
242.08757	0.9
255.12183	0.9
329.13797	1.1
343.21188	1.1
359.20697	1.4
359.24524	0.9
361.22183	1.6
385.22141	1.6
403.19501	100.0
403.23508	10.1
404.19846	11.0
404.23782	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	403.1618
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
54.61483	1.0
56.43388	1.2
57.03325	2.8
58.00480	1.7
59.01263	100.0
60.01595	2.7
61.98706	1.6
69.03339	1.4
69.52473	7.7
69.52802	1.7
70.05504	0.9
70.10245	0.8
71.01268	22.2
71.04895	2.8
71.25291	0.8
72.99194	3.7
73.02840	12.9
75.00763	4.2
79.44006	1.0
83.01292	2.1
83.04912	2.3
85.02846	5.5
87.00771	3.7
89.02342	14.5
93.92436	0.9
95.01293	1.8
96.95859	1.0
97.02881	1.0
97.06483	1.8
99.00773	1.7
99.04403	1.6
101.02352	10.4
113.02350	10.5
119.03416	7.1
119.08601	0.9
123.08032	1.2
125.05986	3.9
125.09639	1.2
137.09645	6.0
138.05551	5.0
139.05869	3.2
143.03416	1.0
161.04526	5.9
161.09642	2.4
165.09248	1.8
167.07147	1.2
179.05589	3.6
179.10739	4.4
181.08620	7.4
197.11815	21.4
198.12271	1.1
203.49329	0.9
220.06023	1.1
223.09715	1.7
223.13359	1.4
226.75436	1.1
239.12901	2.2
241.10840	53.0
242.11139	3.5
252.58533	1.1
257.14102	1.8
283.11508	1.2
299.15466	1.2
343.12381	3.9
355.19318	0.9
361.22397	1.3
385.18811	1.3
403.11053	1.8
403.15924	4.0
403.19321	4.6
403.23642	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	401.303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29679	0.4
50.83842	0.5
52.32872	0.4
59.01263	100.0
60.01608	0.9
69.03356	0.7
71.01267	1.5
71.04216	0.7
75.00769	1.3
88.09135	0.4
88.65144	0.4
89.02352	2.1
99.04441	1.2
101.02333	0.8
102.05509	84.1
103.05848	1.7
108.91883	0.4
111.71859	0.4
113.02352	0.6
117.01871	0.7
119.03417	0.7
121.02873	5.5
126.71263	0.4
139.36879	0.5
156.79591	0.4
179.05542	1.1
238.21701	1.6
275.23962	0.5
283.27545	2.2
297.29117	0.5
301.21616	0.6
313.07117	1.4
341.10999	3.0
341.28156	2.0
342.11475	0.5
357.06302	0.7
388.23010	0.4
401.08807	2.0
401.27078	4.9
402.09219	0.5
402.27222	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	401.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01777	0.6
57.03335	1.9
59.01263	100.0
60.01598	1.5
61.98693	0.5
69.03352	2.3
71.01286	2.8
71.04911	1.9
72.99194	3.6
75.00768	5.3
83.04966	0.7
89.02332	2.6
99.04415	5.7
101.02374	1.0
101.55532	0.5
114.39733	0.5
119.03405	0.9
121.02882	10.0
121.03703	0.9
121.81454	0.5
136.39981	0.5
141.12801	2.5
142.05199	0.6
171.10234	1.2
174.68211	0.5
179.05573	1.3
183.13945	0.8
225.05832	0.7
253.21767	10.3
254.21989	0.8
269.21429	1.3
275.23911	0.9
288.05820	0.5
297.20734	8.2
298.21472	0.6
301.21826	2.5
313.07242	2.4
315.21750	6.6
316.22495	0.8
319.22943	2.0
328.64069	0.6
341.10913	6.1
341.23483	1.8
343.24976	1.0
357.06168	1.2
357.23355	0.7
359.24457	7.0
360.24994	0.6
401.08817	3.8
401.20789	3.0
401.26804	25.4
402.09219	0.6
402.21732	0.7
402.27322	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	401.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	2.0
57.03339	3.7
58.00470	1.6
59.01265	40.4
59.16411	0.4
69.03343	0.5
71.01267	25.0
71.08006	0.8
72.99203	2.1
73.02837	5.2
75.00764	4.0
81.03374	0.4
83.01273	4.6
85.02839	9.6
85.59731	0.3
85.99992	0.4
86.76266	0.3
87.00766	2.3
89.02338	12.9
89.02905	0.6
95.01285	2.1
96.95910	0.7
97.06511	0.4
99.00786	2.4
99.04397	0.5
100.77839	0.4
101.02348	18.1
102.02670	0.4
105.01841	2.3
107.04881	0.4
109.06492	0.4
111.00786	0.5
113.02346	8.9
113.05984	0.6
119.03418	5.0
121.06464	0.4
123.08056	2.7
123.29066	0.3
125.02378	0.5
129.01843	0.7
131.03445	0.4
133.10135	0.8
138.05519	3.9
143.03444	0.6
151.11246	0.5
159.02917	0.6
159.11758	0.4
161.04570	3.1
161.05768	0.6
161.09723	0.8
163.11269	0.5
175.02475	0.5
177.09154	2.7
177.12805	4.7
179.05576	1.4
179.10712	2.4
195.10321	0.6
195.13864	2.4
203.10760	0.5
214.52707	0.4
221.08296	5.2
221.11819	5.9
225.15073	0.4
226.15840	0.4
239.09236	2.0
239.12901	0.8
256.10150	0.3
267.16150	0.7
309.32471	0.4
341.10938	1.3
342.12045	1.8
345.15186	0.3
346.89490	0.4
351.31326	0.4
383.17108	0.7
401.18246	100.0
402.18542	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	401.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	0.9
57.03337	12.5
58.00462	1.9
59.01262	84.7
59.71911	0.9
66.85352	0.8
67.50809	1.0
69.03319	1.1
69.36122	9.2
71.01266	42.2
72.99197	7.3
73.02826	6.2
75.00754	10.8
83.01263	3.9
83.04935	1.5
85.02840	12.8
87.00773	5.6
89.02332	24.0
95.01264	2.4
96.95914	3.8
97.48349	0.9
98.20047	4.1
99.00752	2.9
99.04410	1.3
101.02338	16.9
105.01837	12.7
107.04948	10.2
109.06493	1.6
113.02361	13.2
115.00259	1.4
117.94788	1.0
119.03429	9.2
119.04940	11.9
121.10104	1.1
122.16100	1.0
123.04474	1.2
123.08086	2.4
127.00268	1.4
129.01865	1.2
131.03465	1.5
133.10133	1.4
136.05206	4.3
137.06010	53.0
137.09644	1.1
138.06371	1.9
142.46397	1.0
149.09628	2.3
151.07567	8.9
155.16956	1.1
161.04501	3.6
161.09674	1.5
163.11227	2.2
165.09184	1.8
173.09590	1.3
175.02420	3.0
175.11234	16.2
177.09149	3.4
177.12794	13.5
179.05580	2.8
179.07111	1.7
179.10783	1.4
187.32280	1.0
190.04623	0.9
191.10759	3.3
195.10219	3.8
196.06073	1.4
221.11833	6.8
239.09189	1.9
239.12881	5.4
249.14920	1.5
341.11044	3.7
401.18262	100.0
401.26920	3.4
402.18567	13.5
402.24445	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	401.1825
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01755	3.2
57.03327	8.2
58.00466	3.3
59.01263	100.0
60.01604	1.0
71.01269	66.7
71.33886	1.5
72.01579	1.1
72.99192	5.8
73.02835	9.1
74.29676	1.1
75.00743	2.5
76.05260	1.2
83.01272	5.4
85.02840	16.7
87.00774	5.0
87.94318	0.9
89.02337	55.3
95.01273	5.2
97.02863	1.3
98.20080	1.6
99.00773	5.3
101.02342	43.0
102.25855	1.1
109.06500	1.3
110.38567	1.0
113.02351	29.8
119.03415	22.8
121.02893	1.4
123.08075	3.6
131.03391	2.0
143.03401	4.3
143.08585	1.5
145.06480	2.8
149.04491	1.2
151.07570	6.0
152.66179	1.3
159.02965	2.4
159.11732	18.6
160.12071	1.1
161.04501	16.2
161.09662	25.2
162.10049	2.0
163.07587	2.2
177.12814	21.3
178.13243	2.2
179.05522	5.0
179.10744	3.3
179.14323	1.3
187.07669	1.7
195.13896	2.3
203.10764	16.7
204.11000	1.7
221.11813	51.1
222.12138	4.7
223.13509	1.5
239.12907	4.6
256.48734	1.2
264.95795	1.0
296.52609	1.3
357.19281	2.1
372.72116	1.0
401.18237	65.2
402.18521	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	401.1461
Annotation	Benzyl alcohol beta-D-xylopyranosyl (1->6)-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01776	5.7
56.75277	0.6
57.03335	5.6
58.00478	3.9
59.01262	71.6
60.01591	1.1
66.03367	1.0
68.99719	0.9
69.03342	3.0
71.01268	100.0
71.56026	0.7
71.56432	1.0
72.01606	2.2
72.99201	7.1
73.02831	24.6
74.02358	1.7
75.00758	2.7
79.95637	0.7
81.03357	1.1
83.01273	14.2
84.01633	0.7
84.40759	0.6
85.02840	36.8
85.45083	0.6
85.99999	0.8
86.03191	0.8
87.00771	5.4
89.02335	50.7
90.02664	1.4
95.01289	4.3
96.95911	14.8
97.02836	4.6
99.00774	9.6
99.04396	1.8
101.02341	64.8
102.02700	2.1
111.00791	10.0
111.04480	0.8
113.02351	30.1
114.02740	0.9
115.03936	2.7
119.03403	3.1
121.06464	0.7
123.04372	0.9
125.02350	7.5
127.00255	0.8
129.01846	2.0
129.10205	0.9
131.03427	24.3
137.05972	1.4
143.03447	7.8
149.04463	14.5
149.09645	1.2
156.76015	0.8
159.02907	5.2
161.04495	33.3
164.01096	1.9
165.01846	3.2
165.09172	0.8
177.09146	4.4
179.03445	2.0
179.05518	0.9
179.06929	1.0
179.10716	1.2
180.04227	2.3
191.05579	2.2
191.10681	1.2
195.06587	2.1
196.09608	1.2
203.10706	2.1
205.03491	1.4
215.05609	1.3
221.08202	0.7
221.11800	5.3
233.06636	7.5
234.07166	0.9
239.09328	0.8
239.12929	2.0
240.08740	0.9
251.09392	0.9
269.10364	61.2
270.10733	5.1
293.08841	2.2
341.11182	2.2
357.21289	1.6
360.24292	0.7
401.14557	66.2
401.26892	2.6
402.14813	8.4
403.97607	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58922	2.3
58.00471	3.0
59.01265	58.9
59.58140	2.5
71.01270	43.4
71.55254	3.8
72.99199	8.1
73.02826	5.3
85.02839	6.0
87.00768	32.7
89.02334	63.8
101.02349	22.7
101.59717	2.8
105.01878	4.6
113.02354	19.1
117.01849	3.7
119.03432	17.3
143.03369	5.7
156.24382	2.8
161.04488	6.2
163.03957	4.7
164.04692	3.2
164.87943	2.7
166.02716	5.6
176.04700	3.3
178.06229	5.8
179.03421	5.6
179.05534	22.0
179.07091	12.3
181.05031	3.4
191.03471	7.1
194.05806	4.4
209.08101	4.4
234.05426	4.1
237.07690	3.7
262.05005	3.5
265.07251	25.5
277.07333	8.2
295.08212	22.5
325.09357	4.9
339.40021	2.6
341.10953	100.0
342.11292	8.4
355.10303	7.9
401.10941	49.0
402.11404	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	399.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54020	0.8
59.01263	100.0
60.01591	1.1
61.98712	1.7
71.01254	1.4
85.71636	1.0
93.44903	1.0
94.83530	0.9
98.19775	2.2
107.49218	1.0
125.09614	1.9
127.07568	2.7
139.07552	2.2
158.11096	1.0
172.59761	1.0
197.39563	0.9
209.11795	1.5
239.75641	1.0
252.13744	6.4
255.02963	2.8
268.13336	1.1
285.58374	1.0
308.19489	1.0
381.09958	1.7
399.10754	3.4
399.24374	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	399.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	0.4
59.01262	100.0
60.01602	0.7
61.83041	0.4
62.42479	0.4
69.53318	0.7
69.53651	3.3
70.15155	0.3
71.01270	1.8
71.63385	0.3
72.99196	0.8
73.02843	1.1
74.02354	0.7
75.00762	2.6
83.04921	0.5
85.02853	0.4
89.02332	0.8
96.95934	0.5
98.20628	0.7
101.02381	0.7
111.00908	0.4
113.02404	0.5
115.04161	0.3
124.07474	0.3
132.74335	0.3
135.04498	0.4
149.06090	0.4
151.00514	0.3
152.01141	0.4
156.10327	0.5
161.02364	0.6
176.49890	0.4
179.89317	0.4
184.85545	0.4
195.10214	0.6
233.69963	0.4
269.04694	0.5
295.15552	0.5
313.16714	1.1
399.07202	0.4
399.16171	0.8
399.20795	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	399.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03337	0.6
57.51412	0.3
59.01263	100.0
60.01596	1.6
61.98735	0.3
71.01270	3.7
71.55630	0.4
72.99187	0.6
73.02838	0.8
74.93979	0.3
74.99003	0.4
75.00758	2.0
83.01248	0.4
85.02843	2.7
85.31272	0.3
85.84403	0.2
86.42876	0.3
87.00785	0.6
87.04428	1.0
87.44736	0.3
89.02348	0.8
95.01284	0.8
96.95884	0.4
99.00787	0.5
101.02370	1.1
102.98512	0.4
113.02345	4.3
118.98042	1.2
161.02385	0.4
161.04478	0.4
163.03975	0.7
174.90860	0.2
225.13104	0.4
255.03067	1.8
283.02667	0.8
284.03424	0.5
285.04248	0.5
287.79376	0.3
323.86786	0.3
381.09778	1.9
381.14023	0.4
399.10898	1.5
399.15494	0.7
399.19907	0.7
399.24414	1.7
400.24429	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01775	1.3
57.03331	1.0
59.01263	100.0
60.01597	1.2
70.96972	0.9
70.97365	0.9
71.01268	35.6
72.01604	0.8
73.02838	5.0
75.00758	1.2
83.01261	2.6
85.02838	7.5
86.00005	1.1
87.00761	3.1
87.04433	0.7
89.02332	3.1
95.01283	1.9
97.02861	0.8
99.00743	2.2
99.04436	1.4
101.02344	11.5
101.27016	0.5
111.00809	0.5
113.02361	8.0
115.03954	0.8
115.07558	0.9
117.05456	0.8
119.03455	0.7
125.02364	0.4
129.01849	0.7
143.03423	0.6
143.07095	1.7
159.02969	2.0
161.04501	12.7
161.08139	27.1
162.04880	0.5
162.08505	1.2
187.09705	5.7
188.10042	0.5
215.09242	5.5
244.75148	0.5
259.08841	0.6
277.12967	31.0
278.13245	2.7
305.12494	11.1
306.12878	1.3
337.15085	1.1
361.14215	0.6
419.65768	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77722	0.6
51.85052	0.6
57.68287	0.6
58.44828	0.7
59.01258	0.7
69.45994	4.5
70.23808	0.7
71.01254	1.8
75.00760	3.8
85.25616	0.6
91.05445	0.9
97.06471	0.8
97.10565	0.7
98.19864	1.3
99.00779	2.3
105.03433	0.6
107.04953	1.4
108.02073	10.7
109.02864	18.6
119.04942	2.2
121.02869	9.7
122.03188	0.7
129.03342	1.5
133.02835	3.4
134.03679	4.2
135.04443	34.8
136.01627	0.8
137.02330	2.3
145.02863	3.7
147.04451	8.7
148.05247	11.8
149.05788	0.9
150.03137	1.4
151.03944	1.6
161.02382	1.9
162.03162	1.2
163.03947	18.7
163.81117	0.6
164.04422	0.8
173.02409	4.4
177.01883	3.0
177.09149	0.9
178.02661	3.5
179.03464	1.6
191.03470	100.0
192.04182	19.8
193.04950	4.4
205.08658	2.1
235.02499	1.0
257.08185	1.2
271.09738	1.3
275.09351	0.9
289.10815	5.6
293.10428	2.0
307.11880	1.4
333.09918	5.4
344.01956	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01268	6.4
61.98716	1.6
63.11952	0.9
68.77880	0.9
71.01272	3.2
71.55816	1.9
72.99213	2.1
73.02834	1.3
75.00764	75.8
93.03339	1.0
93.68807	1.1
97.06492	1.2
99.00774	8.9
101.02316	1.3
107.04954	1.4
108.02085	15.4
109.02168	1.6
109.02872	24.0
110.03175	1.3
117.01849	5.8
119.04922	2.8
119.47020	0.9
121.02883	11.7
129.03360	1.0
132.02069	2.7
133.02866	4.6
134.03674	17.0
135.04463	23.8
136.01593	36.1
137.02412	9.9
137.97241	0.9
145.02882	3.6
147.04451	13.4
148.01588	2.3
148.05246	52.9
149.02313	1.7
149.05724	3.2
150.03194	7.6
151.03949	5.8
160.01637	7.3
161.02325	2.6
162.03163	1.5
163.03964	17.0
170.80780	1.0
173.02390	3.4
176.04765	1.3
177.01892	2.8
177.09219	1.2
179.03438	3.8
180.04152	1.7
186.68509	1.0
187.07558	1.6
188.69502	1.0
191.03476	100.0
192.04150	19.6
193.04994	5.1
195.02943	1.7
205.08633	2.6
223.02502	2.9
224.03204	1.4
231.10216	3.9
233.08229	5.7
235.02483	2.9
236.03308	9.4
245.08289	1.3
255.14357	1.1
257.08194	7.3
263.15131	2.2
271.09909	1.3
275.09280	1.9
277.10812	1.9
285.46045	1.0
289.10809	7.7
293.10397	6.4
307.11890	1.8
315.08566	1.0
321.09860	2.7
333.09848	4.1
351.11029	2.2
356.12003	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	393.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48686	0.4
54.99762	0.5
59.01263	100.0
60.01603	0.9
69.45517	4.2
69.64046	0.4
71.01270	8.2
72.99198	0.5
73.02837	0.9
73.56462	0.4
75.00775	1.8
80.12630	0.4
83.01285	0.7
85.02857	1.8
87.00806	0.9
87.04413	2.3
89.02335	12.2
91.68849	0.4
97.06507	0.5
98.20594	0.9
99.00792	0.5
101.02348	3.6
102.79724	0.4
108.02126	1.1
109.02885	2.0
113.02348	3.7
119.03404	3.8
135.04449	5.7
138.72253	0.5
143.03484	1.0
148.05223	0.7
149.04480	0.5
151.03882	0.8
161.02434	0.9
161.04539	1.6
179.05568	2.4
180.03546	0.5
192.04272	3.6
223.10634	0.4
292.17169	0.5
371.49158	0.5
386.07666	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01597	1.0
61.98714	0.8
71.01270	1.2
71.56696	0.8
75.00765	2.4
78.98224	0.4
97.06490	0.7
101.02341	0.6
108.02085	0.5
109.02856	1.1
119.50357	0.4
131.99380	0.4
133.02876	0.6
135.04494	1.0
147.04503	1.1
161.02402	1.0
163.03993	0.5
175.03883	0.6
190.02696	0.6
191.03558	0.9
209.11800	0.9
228.39085	0.5
230.53737	0.4
265.39249	0.4
355.48346	0.5
357.23087	0.8
393.23254	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38320	53.7
67.53933	51.7
71.53880	100.0
86.67838	67.4
114.16418	55.9
114.82039	56.4
140.63817	54.3
145.88788	56.1
149.34375	56.9
176.56607	62.2
199.16197	61.2
248.01891	61.1
262.17078	78.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
58.47576	0.4
59.01262	2.6
70.05241	0.8
70.05649	1.8
71.01258	2.0
75.00765	10.8
79.05412	0.5
84.39394	0.5
89.38235	0.4
91.05453	0.9
93.03362	0.6
94.90916	0.5
97.06502	2.1
99.00773	2.2
105.03368	0.7
107.04929	1.3
108.02078	13.1
109.02869	21.1
110.03188	0.6
117.03367	1.5
119.04920	2.2
121.02878	9.4
124.01562	0.6
129.03401	1.1
130.31491	0.5
133.02892	1.3
134.03667	5.2
135.04453	31.7
136.01582	1.6
136.04738	0.7
137.02367	1.2
139.03932	0.5
145.02890	3.0
147.04454	10.0
148.01547	0.7
148.05255	9.9
149.05945	1.4
150.03203	2.2
151.03918	1.2
160.01604	1.0
161.02391	1.7
162.03145	1.2
163.03970	19.4
164.04346	1.3
173.02394	3.8
174.03058	0.5
177.01927	1.3
177.09241	1.1
178.02646	2.0
179.03435	1.1
187.07628	0.5
191.03477	100.0
192.04211	20.3
193.05016	4.9
194.05412	0.6
205.08720	2.3
231.10138	0.5
235.02489	0.7
236.03230	1.6
237.04082	0.5
257.08292	1.6
271.09836	1.0
275.09335	0.6
289.10837	5.7
290.11197	0.7
293.10352	1.7
307.11990	2.0
329.69397	0.4
333.09793	1.5
351.11246	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87783	0.2
59.01263	100.0
60.01585	1.2
63.19761	0.2
64.84854	0.1
69.49358	1.5
80.79055	0.2
109.12820	0.2
117.81152	0.2
223.46436	0.2
247.77513	0.2
291.18085	0.2
363.81015	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	393.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.7
59.01264	100.0
60.01596	1.1
71.01271	7.3
71.27351	0.4
71.27683	0.9
73.02840	2.4
75.00768	2.9
78.95798	0.5
83.01294	1.0
83.04910	0.7
84.23818	0.5
85.02864	1.9
87.00775	0.6
89.02353	1.8
96.95940	1.5
99.00767	0.9
101.02351	5.0
108.02073	10.0
109.02879	7.3
112.19801	0.4
113.02396	2.1
125.51451	0.5
130.49948	0.5
135.04456	7.7
135.05446	0.6
137.26042	0.4
140.79245	0.5
143.03401	0.7
146.43852	0.6
147.04475	1.1
148.05202	1.1
149.05977	0.6
153.01845	0.5
161.02443	0.7
161.04507	5.0
163.03989	0.5
177.09140	2.6
178.02730	0.5
191.03505	0.8
192.04263	5.4
193.04950	2.3
207.10110	0.5
209.11816	41.8
210.12161	3.2
227.12889	3.1
261.11469	0.7
276.65192	0.5
282.41718	0.5
332.09775	0.5
333.19205	6.2
334.19681	0.8
351.20255	0.8
393.21353	1.6
393.28027	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	391.2345
Annotation	Sedumoside A2
Peak:m/z	Relative Intensity
52.69906	0.3
55.01764	0.9
57.03327	0.8
58.00483	0.6
59.01265	24.0
61.98710	0.6
69.03324	0.5
71.01269	12.6
71.59247	0.4
72.01608	0.4
72.99196	1.6
73.02832	3.5
75.00764	0.9
78.95798	0.9
82.48325	0.2
83.01280	2.9
85.02841	5.5
86.00000	0.3
87.00768	1.6
89.02348	3.0
91.75954	0.3
95.01280	1.1
96.95930	0.4
98.09061	0.2
99.00779	1.6
101.01710	0.6
101.02343	6.9
102.28795	0.2
104.25455	0.2
104.52245	0.2
109.02888	0.3
110.98470	0.4
111.00774	1.1
113.02351	3.6
119.03386	0.9
119.04905	0.3
120.99567	0.4
124.01608	0.7
125.02379	0.7
134.03670	1.4
137.02295	0.3
159.02953	0.3
161.02391	0.8
161.04471	0.7
162.03136	1.3
167.01027	0.5
169.15910	0.3
183.17418	0.4
191.03644	0.3
205.12361	0.4
211.17084	1.8
217.00299	0.4
223.13402	3.1
229.18091	25.1
230.18486	1.7
271.19223	0.6
275.09308	2.5
276.09647	0.3
278.24457	0.3
286.41400	0.3
323.23206	0.3
331.17642	0.7
352.79959	0.3
373.22263	2.9
391.23441	100.0
392.23785	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	393.1773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54281	0.3
54.60572	0.3
55.01765	1.2
57.03328	1.7
58.00481	5.0
59.01262	100.0
59.55097	0.4
60.01608	1.2
65.40591	0.3
69.03334	1.7
69.56535	1.4
69.56961	1.1
71.01266	60.4
71.04923	0.4
72.01593	1.1
72.99194	7.2
73.02832	25.8
75.00757	3.1
76.83710	0.3
81.03362	0.9
83.01281	5.2
83.04905	0.6
85.02839	17.9
85.99975	1.3
87.00772	9.2
87.04409	3.4
89.02333	59.6
90.02674	1.3
95.01283	2.6
97.02840	1.7
98.19897	0.6
98.20521	0.6
99.00769	1.6
99.04430	0.7
101.02342	68.3
102.02672	1.3
103.00229	0.3
103.03910	22.0
104.04250	0.8
111.00751	0.4
113.02349	15.4
114.02660	0.3
115.03918	4.6
118.99744	0.4
119.03414	26.1
120.03695	0.5
125.02361	3.3
127.03928	2.1
131.03419	11.5
133.04984	0.4
143.03430	16.4
144.03781	0.7
145.05005	8.0
146.05363	0.4
149.04480	1.4
161.04515	3.6
163.06064	58.5
164.06407	1.9
179.05562	9.8
205.07152	32.6
206.07446	1.3
247.11906	2.5
248.12042	0.4
265.09314	2.8
333.15573	1.4
363.75223	0.4
393.17703	9.2
394.17914	1.0
419.25095	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.211
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
53.64651	1.3
55.71793	1.3
57.03325	1.8
59.01262	100.0
61.98714	1.8
66.68729	1.5
68.92047	1.4
69.03325	2.4
69.47298	12.6
71.01264	5.3
78.75638	1.3
89.02323	2.0
93.03365	3.3
96.95911	2.5
97.02853	4.6
99.00737	1.6
101.02334	3.1
111.08063	7.7
113.02364	2.7
119.03386	1.6
119.08540	2.0
125.09641	2.9
137.09634	5.2
151.03941	1.8
151.07574	13.9
151.77579	1.3
152.08337	4.0
156.28313	1.4
161.04495	2.4
163.11197	4.0
165.12756	6.4
171.10188	5.4
179.14320	2.9
181.12273	1.8
184.07373	1.7
193.08415	4.4
197.11769	9.4
205.03595	2.0
205.08670	3.4
207.09949	8.4
209.11761	2.6
209.15457	6.9
217.00269	3.3
217.66205	1.5
219.10014	12.8
221.11597	3.7
221.15387	1.5
223.13387	3.2
231.10208	1.9
240.13686	2.1
244.10829	2.7
245.11549	5.7
245.19102	1.7
247.20668	5.2
248.10307	4.9
249.10744	1.9
252.09988	1.9
262.11798	2.7
262.26520	1.4
263.16510	4.0
273.18646	2.3
285.14682	4.6
287.16321	6.4
291.19739	45.5
292.20093	4.2
294.09592	3.5
301.34250	1.6
309.17325	4.2
309.20731	67.4
310.20956	6.8
313.14267	8.3
313.17886	24.6
314.18143	3.0
331.15237	20.2
331.18765	91.3
332.19363	8.6
391.20306	4.4
391.28543	14.4
392.29099	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	391.2111
Annotation	Rubescensin Q
Peak:m/z	Relative Intensity
56.13439	1.2
57.03333	1.4
59.01262	65.7
60.01582	1.5
61.98729	2.4
71.01260	4.7
71.56401	1.6
74.67633	1.2
75.00744	1.3
75.52489	1.6
75.87223	1.5
81.73759	1.2
88.01173	1.5
89.02345	1.9
111.08037	3.4
139.07576	5.6
153.12753	3.1
166.01147	1.9
167.10725	2.6
169.12209	2.2
179.14423	2.2
181.12294	2.3
197.11961	1.5
205.03458	2.1
207.09903	1.7
209.11552	5.6
217.00281	3.9
219.05032	1.5
219.09973	9.8
221.11470	2.1
247.09560	1.3
248.10269	4.9
249.11052	4.7
253.10603	7.2
263.20230	1.5
273.18707	1.6
291.19730	14.6
294.09747	3.4
301.17972	1.3
303.19647	2.9
309.20746	37.0
310.21057	6.2
313.17908	3.4
331.18970	100.0
332.19370	11.5
363.16696	9.1
391.20529	2.1
396.63425	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	391.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17632	1.3
55.53498	1.5
57.19247	1.2
59.01264	100.0
60.01589	1.9
61.98703	3.0
67.82220	1.5
69.03345	1.7
70.00935	7.3
71.01265	4.9
73.02836	2.1
89.02326	2.9
95.04926	2.2
96.95927	1.4
99.92451	1.5
101.02371	2.3
104.27841	1.5
109.06466	1.5
111.08066	41.9
112.08415	1.7
113.02321	2.8
127.07583	2.6
147.11765	2.0
151.11203	4.0
161.04480	2.5
165.12791	3.6
169.12265	6.9
177.30031	1.6
179.10628	1.6
181.12283	1.7
185.11800	1.4
197.11815	91.1
198.12141	5.9
199.13391	3.5
211.13414	9.4
215.10577	2.9
217.00191	3.1
219.10027	84.4
220.10361	5.0
233.11600	37.1
234.11847	2.7
249.09720	1.4
249.13521	4.6
250.13858	1.9
251.11395	9.8
252.11630	3.0
263.20114	3.5
265.18091	2.4
267.27084	1.3
287.16336	2.4
291.16550	2.7
291.19687	17.6
292.19891	3.0
293.12448	15.5
309.20770	83.9
310.21149	10.6
331.18933	37.1
332.19269	4.1
375.17801	5.0
391.20041	17.1
392.20642	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01604	1.2
69.27884	2.8
71.01263	2.3
75.00776	0.9
85.02830	0.4
89.02328	0.3
96.95881	0.4
101.02348	0.6
113.02367	0.3
115.00288	0.6
115.05037	0.3
124.71936	0.3
133.02869	0.4
134.03667	1.4
135.04422	0.4
145.02803	0.3
161.02374	0.4
161.04478	0.6
162.03140	0.3
164.07159	0.3
231.10233	1.2
275.09283	2.3
276.09885	0.4
299.37909	0.2
300.68442	0.2
331.17722	0.4
392.16364	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.01602	1.2
66.09740	0.3
69.83757	0.8
69.84170	1.8
70.09638	0.4
71.01279	3.9
72.99218	0.6
73.02852	1.3
75.00771	0.7
83.01279	0.4
85.02850	1.3
87.04420	0.7
88.78835	0.3
89.02338	6.1
89.02848	0.5
98.20496	0.5
99.00797	0.4
101.02343	2.9
113.02361	2.6
119.03432	3.0
125.09637	0.5
137.09688	1.2
143.03418	0.5
161.04529	1.1
167.10960	0.5
179.05496	1.8
187.13371	0.7
217.14459	0.5
229.14494	1.0
273.72763	0.4
286.55405	0.4
331.17877	1.5
346.75845	0.5
391.27252	4.6
392.27859	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.4
55.88470	0.4
57.03343	2.0
58.00481	0.9
59.01266	100.0
60.01604	1.7
61.98697	0.3
69.03347	0.9
69.27955	1.9
69.28384	2.0
71.01271	37.9
71.04945	0.4
72.01633	0.5
72.99191	2.9
73.02835	14.8
74.03168	0.6
75.00761	8.4
81.03329	0.7
83.01279	5.3
85.02844	11.2
85.99994	0.8
87.00773	10.5
87.04426	0.8
89.02338	11.4
95.01298	2.2
97.02881	1.1
97.06523	0.4
99.00766	3.2
99.04410	0.5
101.02347	24.7
102.02691	0.4
108.30676	0.4
111.00810	1.1
113.02358	12.9
115.07573	0.4
119.03407	3.9
125.02368	1.0
127.11269	0.6
129.01869	0.6
131.21126	0.4
135.46646	0.4
139.11203	0.7
141.01881	0.4
141.09148	18.3
142.09515	1.0
143.03462	1.6
143.10724	4.0
149.04518	0.6
153.09207	0.8
153.12833	1.2
159.02957	1.7
161.04503	10.9
167.10762	1.5
169.12299	0.9
171.13879	0.4
173.11740	0.8
179.05577	0.8
185.11745	0.5
187.09816	0.9
187.13368	1.8
203.05643	1.1
259.15625	1.2
301.16846	0.9
331.13876	0.4
331.17679	8.2
331.25177	0.6
332.18243	1.3
349.18750	29.5
350.19107	3.0
352.15430	0.4
391.19928	2.4
391.27078	12.3
392.20236	0.5
392.27698	1.2
403.70782	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06656	0.2
57.03300	0.2
57.31686	0.1
59.01264	100.0
59.98781	0.1
60.01596	1.2
65.90736	0.1
66.29625	0.1
68.41370	0.1
69.31701	1.4
70.31394	0.1
70.86330	0.1
71.01269	2.6
72.78303	0.1
72.99212	0.4
73.02834	1.2
74.02390	0.1
75.00774	0.4
83.01274	0.3
84.16817	0.2
85.02866	0.9
87.00779	0.3
89.02335	3.1
93.72343	0.2
95.01299	0.2
96.95897	0.1
98.20587	0.3
101.02349	2.4
113.02340	1.6
113.02946	0.1
115.97024	0.1
119.03415	2.0
125.02474	0.2
125.09686	0.3
131.03462	0.3
135.04546	0.1
143.03461	0.4
150.03113	0.2
161.04500	1.1
167.10622	0.2
169.08713	0.6
179.05557	1.5
185.11790	0.4
202.55775	0.1
211.07698	0.2
229.10870	1.0
331.17645	2.3
349.19043	0.2
351.36603	0.1
375.16898	0.4
391.16064	0.3
391.20044	1.3
391.27252	0.2
392.19940	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06656	0.2
57.03300	0.2
57.31686	0.1
59.01264	100.0
59.98781	0.1
60.01596	1.2
65.90736	0.1
66.29625	0.1
68.41370	0.1
69.31701	1.4
70.31394	0.1
70.86330	0.1
71.01269	2.6
72.78303	0.1
72.99212	0.4
73.02834	1.2
74.02390	0.1
75.00774	0.4
83.01274	0.3
84.16817	0.2
85.02866	0.9
87.00779	0.3
89.02335	3.1
93.72343	0.2
95.01299	0.2
96.95897	0.1
98.20587	0.3
101.02349	2.4
113.02340	1.6
113.02946	0.1
115.97024	0.1
119.03415	2.0
125.02474	0.2
125.09686	0.3
131.03462	0.3
135.04546	0.1
143.03461	0.4
150.03113	0.2
161.04500	1.1
167.10622	0.2
169.08713	0.6
179.05557	1.5
185.11790	0.4
202.55775	0.1
211.07698	0.2
229.10870	1.0
331.17645	2.3
349.19043	0.2
351.36603	0.1
375.16898	0.4
391.16064	0.3
391.20044	1.3
391.27252	0.2
392.19940	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	391.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01746	0.4
57.03333	0.9
59.01266	100.0
60.01596	2.3
69.51353	3.2
71.01270	7.6
72.01627	0.6
72.99203	0.9
73.02837	3.0
75.00779	1.2
75.67321	0.4
83.01282	0.7
85.02844	3.1
87.00776	0.5
87.87350	0.5
88.56340	0.5
89.02354	3.2
94.66994	0.5
98.19778	0.5
99.00777	0.9
101.02335	5.7
101.06799	0.4
102.02702	0.8
102.54856	0.5
113.02360	2.7
119.03420	1.3
135.92953	0.5
141.01918	0.6
143.03433	0.5
159.03009	0.7
161.04475	2.9
187.13416	2.1
229.10886	1.8
284.53085	0.5
331.17676	8.5
332.18149	1.0
391.19647	1.3
391.23441	0.7
391.27121	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	391.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41551	0.4
57.03328	2.0
58.00478	0.8
59.01265	100.0
60.01610	1.4
61.01686	0.6
61.98719	0.8
66.92000	0.3
69.71080	2.4
71.01270	10.2
71.04919	0.5
72.99209	1.2
73.02836	4.9
75.00777	1.3
79.95642	0.4
83.01276	0.6
83.04902	0.6
85.02840	3.1
87.00806	0.9
87.04416	2.8
87.32050	0.5
89.02342	9.3
95.01309	0.4
96.95921	1.5
97.06517	0.7
99.00775	0.5
101.02343	6.7
101.06039	0.6
106.06562	1.8
109.06507	0.7
111.08093	0.7
113.02361	4.3
119.03429	4.3
120.99570	0.5
121.10183	0.8
123.08099	0.7
125.09647	0.8
127.11212	0.5
129.09193	0.7
131.03467	0.6
135.89536	0.5
137.09688	1.4
143.03476	0.9
145.08661	1.3
149.04494	0.4
149.09615	0.6
150.05588	1.3
153.09201	0.8
155.10732	0.7
157.12331	0.5
161.04498	4.1
165.09212	1.4
167.10757	1.2
168.97414	0.4
173.11777	1.1
179.05580	2.4
185.11835	0.5
187.13406	1.0
189.11298	0.7
199.09869	0.7
203.12842	3.1
214.47054	0.4
217.14514	0.9
229.14455	3.7
230.14946	0.7
231.16013	6.7
232.16467	0.7
241.14499	1.1
242.14743	0.6
243.12654	0.4
243.15114	1.4
245.17589	0.8
254.05843	0.4
269.13272	0.4
275.09387	0.6
331.17648	6.3
331.25009	0.7
332.18170	0.9
347.16443	0.5
349.18881	0.4
356.10205	1.3
359.24734	0.5
361.26120	2.6
370.63083	0.4
373.26144	1.4
391.19846	6.8
391.27249	22.4
392.20007	1.9
392.27545	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	390.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68653	0.4
59.01265	16.2
61.98717	100.0
62.98417	0.5
71.01286	1.0
71.56587	0.4
71.56930	0.4
72.99220	0.5
75.00785	0.7
79.95629	0.5
85.02887	0.4
89.02355	0.6
96.95940	0.8
99.59750	0.4
101.02383	1.0
113.02398	0.3
161.04536	0.4
171.10242	0.4
181.05962	0.3
217.00273	0.6
255.53519	0.3
331.17746	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	391.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48933	1.5
57.45990	1.9
59.01267	100.0
60.04430	1.6
64.87831	1.7
71.01262	8.5
71.55758	3.8
73.02821	2.4
74.02364	37.3
79.11881	1.6
85.02835	2.7
87.00710	2.1
87.05530	22.7
89.02324	3.3
96.95877	1.9
101.02332	6.2
112.02677	6.1
113.02321	3.1
118.06496	2.7
118.61777	1.7
122.06034	9.9
127.08675	3.5
129.10335	2.2
134.03629	2.9
134.04565	1.9
134.06061	3.4
136.07617	3.4
138.05481	2.0
144.04459	2.8
146.06047	5.0
148.04024	3.5
150.05562	8.0
155.08194	5.2
160.03973	16.2
161.04591	6.6
162.05548	5.7
162.09114	2.2
173.04649	2.1
173.09254	2.9
176.03542	2.2
178.02719	2.3
178.05069	10.3
191.05838	2.1
193.05026	7.3
200.07182	2.4
200.10901	2.4
201.08218	2.1
202.12317	1.9
212.07056	2.1
212.10750	2.4
224.10800	6.1
225.10245	2.4
227.08171	2.7
228.10492	8.4
237.06830	2.7
241.13448	2.8
242.11852	7.4
243.11440	8.9
251.08305	3.7
252.09125	13.9
255.11404	5.5
259.14587	9.9
260.12967	3.1
267.11450	53.8
268.11743	4.3
269.09369	3.2
270.10147	2.7
284.08105	3.2
285.12503	45.6
286.12799	3.1
293.09256	2.4
303.13522	5.7
311.10391	9.5
329.11456	37.9
330.11722	2.8
331.17596	5.7
347.12573	12.3
364.77817	2.1
373.10440	18.3
391.11877	20.9
391.19965	52.7
392.11777	4.0
392.20129	4.4
404.49963	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32094	0.9
59.01264	100.0
60.01591	2.2
71.05234	1.9
76.93413	0.9
135.78912	1.1
147.86429	0.8
152.81779	0.8
208.62537	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	390.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
59.00959	0.7
59.01264	18.6
61.98716	100.0
70.83786	0.9
71.01266	2.3
71.33159	0.4
72.99206	1.5
75.00774	1.2
81.92226	0.4
85.02824	0.6
88.30670	0.5
89.02343	0.7
94.13075	0.4
101.02341	1.3
107.12509	0.4
108.71773	0.4
117.16698	0.5
118.63152	0.4
128.83907	0.4
134.03685	1.3
142.10809	0.4
148.05225	0.7
161.02451	0.4
161.04482	0.8
162.03249	0.5
204.07503	0.6
217.00351	0.7
275.09412	1.6
331.17914	1.2
390.11353	0.5
390.16611	0.6
391.23651	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2472
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71414	3.8
59.01265	75.8
69.03325	12.7
71.01272	22.6
71.56598	8.9
79.95621	15.8
80.96405	73.8
85.02808	6.3
87.00742	5.1
91.21405	3.6
91.90128	4.1
94.97976	21.2
101.02330	7.5
106.97987	4.4
113.02328	4.3
122.97465	7.8
125.02353	5.7
125.09603	6.9
134.97539	5.3
141.67523	3.8
148.99036	5.4
149.04614	4.1
149.29192	4.1
152.98485	9.8
152.99673	5.3
161.04443	5.1
164.98537	13.0
169.63564	4.3
175.66353	3.6
179.10706	6.8
197.11813	35.3
205.18622	4.1
211.38470	4.7
225.00783	22.6
237.22284	19.2
247.63834	4.5
255.23306	47.6
256.23663	5.8
291.75122	4.0
299.04507	31.1
317.05505	6.4
329.16415	5.1
389.14667	7.2
389.19199	100.0
389.23743	8.0
389.69397	41.1
390.19809	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2554
Annotation	bhos#24
Peak:m/z	Relative Intensity
51.28884	0.3
51.70302	0.3
57.03341	3.8
58.00467	0.4
59.01263	30.7
60.01582	0.5
61.44085	0.3
67.15833	0.3
69.03334	0.8
70.52827	0.6
71.01274	5.8
71.04916	0.9
71.81747	0.3
72.99191	1.2
73.02834	4.0
75.00768	5.3
77.57875	0.3
80.02837	0.3
80.67441	0.3
83.01279	0.8
83.04916	0.4
85.02865	2.3
87.00757	0.9
87.04414	1.4
89.02338	2.0
95.04942	0.4
97.06512	2.5
99.00753	0.6
99.04401	0.7
99.08055	0.8
101.02351	4.0
105.20087	0.3
109.06543	0.5
111.08061	2.2
113.02343	2.6
113.09615	1.3
114.02682	0.4
119.03395	0.7
123.08082	5.5
125.09623	0.5
125.68887	0.4
127.11214	1.7
129.09134	0.4
133.02826	0.6
135.08064	0.5
137.09662	2.6
139.07489	0.4
139.11220	0.6
141.09158	2.6
143.03415	0.5
143.10703	0.9
151.11261	0.5
152.08337	0.4
153.09123	0.7
155.10739	2.9
157.12270	0.5
161.04507	3.4
167.10764	1.8
169.12303	1.4
184.11008	1.4
187.13409	2.2
201.14935	0.4
204.21172	0.4
213.14972	0.6
216.13629	1.1
225.11342	0.5
227.12160	0.5
227.16577	0.5
249.18596	0.4
261.18762	0.6
266.96796	0.4
281.21518	0.4
283.13300	0.6
292.07718	0.4
293.21283	1.9
307.22900	0.8
308.94998	0.5
311.22421	1.1
327.16107	0.4
329.23425	1.0
332.10883	0.3
343.24908	0.9
359.24472	1.5
371.24554	1.1
380.46405	0.4
389.25543	100.0
390.25894	12.6
406.94354	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	5.1
57.03336	4.7
57.23665	0.2
58.00475	3.0
59.01263	58.6
60.01596	0.7
61.98734	0.2
68.99699	0.5
69.03336	0.9
69.57389	1.7
71.01267	100.0
72.01617	1.5
72.99194	5.0
73.02834	26.3
74.03167	0.6
75.00761	2.3
80.90525	0.2
81.03342	0.6
83.01275	12.1
84.01588	0.2
84.02045	0.6
85.02840	39.4
86.03194	0.8
87.00762	5.4
89.02336	36.0
90.02668	0.8
95.01284	6.4
96.01584	0.2
97.02847	2.4
97.06467	0.3
99.00777	11.9
99.04414	0.5
101.02345	79.9
102.02677	2.0
103.03899	0.3
111.00814	1.3
113.02354	45.0
114.02675	0.9
115.03908	0.4
117.42526	0.2
119.03412	14.7
120.03738	0.3
125.02367	2.7
129.01846	2.0
131.03400	1.6
139.00258	0.3
143.03427	7.2
144.03764	0.2
149.04471	1.2
158.98416	0.2
159.02934	12.2
160.03233	0.5
161.04495	67.1
162.04857	2.1
179.04100	0.4
179.05574	5.4
181.12276	0.3
183.10182	0.4
186.09444	0.2
191.14352	0.2
205.03525	3.1
207.13901	0.6
227.09308	0.3
241.14520	0.3
254.58620	0.2
257.12927	1.2
263.92560	0.2
269.09341	0.7
271.15723	0.2
287.18649	0.4
339.15848	0.2
389.21933	32.3
390.22275	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	389.219
Annotation	Sedumoside D
Peak:m/z	Relative Intensity
52.65618	0.3
55.01769	4.5
56.02117	0.3
57.03333	4.4
58.00479	4.5
59.01262	100.0
60.01601	1.4
68.99702	0.6
69.03328	1.0
69.57296	2.0
71.01267	91.3
72.01601	1.4
72.99197	5.2
73.02831	16.7
75.00758	1.7
81.03365	0.4
83.01276	10.2
84.01598	0.3
84.02056	0.6
85.02840	32.3
86.03177	0.7
87.00763	4.9
89.02334	57.2
90.02670	0.8
95.01281	6.0
97.02859	1.4
99.00777	7.0
101.02343	63.7
102.02684	1.6
104.91163	0.3
111.00800	0.7
113.02354	34.6
114.02679	1.0
115.03971	0.3
119.03414	22.2
120.03791	0.7
123.08116	0.4
125.02420	1.3
125.03179	0.3
129.01848	1.0
131.03429	1.9
137.09616	0.3
137.63737	0.3
143.03436	5.5
149.04492	1.7
159.02942	5.3
161.04498	29.4
162.04840	0.8
179.05565	6.4
181.52463	0.2
183.10246	1.2
205.03499	1.1
209.11577	0.3
227.09219	1.4
278.87186	0.3
327.84891	0.3
389.21915	27.3
390.22287	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1953
Annotation	Unknow
Peak:m/z	Relative Intensity
56.29277	1.8
57.03329	5.2
59.01263	92.2
64.98638	1.7
69.19566	1.9
71.01275	4.3
71.93575	2.0
75.00758	2.9
80.02586	3.1
81.03350	6.9
81.65779	1.8
83.01279	12.6
83.04906	2.7
89.02334	3.8
93.03339	2.2
95.01237	2.3
95.04919	5.6
97.02831	5.4
97.06503	9.6
98.19657	3.2
101.02381	3.2
109.02837	2.0
109.06481	3.0
110.46258	1.7
113.25002	1.7
121.02827	2.1
121.06535	2.5
123.04436	12.3
123.08047	5.5
125.09638	17.4
135.08093	3.7
137.06046	2.1
137.09644	13.7
141.12808	3.8
149.06009	4.0
160.00247	2.4
161.04446	2.6
162.91805	1.8
163.07600	2.0
163.11229	18.9
165.12772	6.9
167.10655	2.6
167.30962	1.9
174.10335	2.2
175.07405	3.6
179.10683	3.7
181.12257	4.7
185.11829	13.1
191.10742	5.4
191.14392	18.3
207.10172	14.3
209.11819	76.8
210.12173	4.6
217.16161	2.0
225.11369	8.9
226.11655	2.7
229.20480	2.1
231.10046	56.4
232.10350	3.8
233.11685	2.8
243.17558	2.2
245.19096	31.7
246.19501	2.5
260.10092	1.9
263.20181	4.2
271.17148	3.3
285.18646	4.4
289.18146	100.0
290.18460	8.0
291.12195	4.2
291.19772	6.6
307.19193	61.9
307.22656	3.9
308.19580	7.7
317.17261	9.6
329.17401	21.6
389.19617	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	389.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	3.4
58.10574	2.2
59.01261	66.5
60.60839	2.5
61.54316	2.2
61.98710	4.8
70.72031	6.1
71.01269	9.6
75.00765	2.4
85.02869	4.2
87.64555	2.2
88.05207	2.1
89.02340	3.8
91.72733	2.2
95.01273	4.6
97.02863	4.9
99.00749	2.3
101.02332	4.7
109.02862	3.4
111.04469	2.9
121.06522	5.9
123.04430	3.7
123.08046	2.2
125.09610	3.8
135.08070	4.3
135.15868	2.3
137.09673	5.3
139.11206	4.2
141.12733	3.3
149.06020	3.2
161.04422	3.0
162.10454	2.6
163.11224	7.6
179.10701	7.7
185.11794	10.4
191.14345	10.7
192.14659	2.4
207.10057	37.8
223.09482	3.3
225.11351	6.0
235.68050	2.2
245.08044	3.8
245.19142	22.1
247.09612	9.9
247.23759	2.6
248.10223	3.4
268.84586	2.8
271.17010	3.2
289.18158	68.2
290.18527	5.0
307.19199	55.2
308.19531	6.2
311.16431	4.3
329.17346	100.0
330.17581	11.1
389.15915	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	389.1825
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01764	1.0
57.03337	1.7
58.00483	1.4
59.01264	100.0
60.01595	1.3
61.01702	0.6
61.88691	0.5
66.68567	0.5
71.01270	23.5
71.56066	0.8
72.01628	0.7
72.99197	2.7
73.02838	4.9
73.38496	0.5
75.00767	1.9
83.01285	2.1
85.02846	7.3
87.00751	2.5
89.02336	21.5
90.02693	0.7
91.02753	1.3
95.01297	1.4
99.00786	1.6
99.04464	1.0
100.01053	0.6
101.02348	16.6
101.03020	1.0
102.02728	0.9
109.06488	2.7
113.02354	11.1
114.02692	0.6
119.03419	8.6
122.06000	0.6
130.08653	1.9
131.03439	0.9
132.04521	1.0
143.03445	2.0
143.04994	0.7
143.11827	1.9
144.04527	0.9
147.11714	1.1
149.04549	0.6
159.02924	1.3
161.04498	8.4
165.12849	0.6
171.05713	0.5
179.05530	3.8
185.06018	1.1
185.11827	0.7
192.96970	0.5
204.10391	0.7
205.03564	0.5
206.57529	0.5
209.11774	4.9
221.99042	0.5
227.07118	9.0
227.12955	0.9
227.15440	0.9
241.14473	5.1
285.13525	0.8
285.57556	0.5
326.46997	0.5
329.16199	3.9
329.19626	0.6
330.51279	0.5
345.15582	0.7
347.17072	0.7
353.30319	0.5
389.13300	1.3
389.17889	15.4
389.21646	2.6
390.18457	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	389.1824
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
55.01766	0.7
57.03337	3.1
58.00475	0.8
59.01264	36.7
61.86064	0.5
69.03326	1.2
69.35844	0.6
71.01266	8.2
71.04922	1.3
72.99198	3.7
73.02834	4.3
75.00764	15.5
83.01266	0.7
83.04910	1.2
85.02853	3.0
85.06484	1.2
87.00780	0.9
87.04402	4.3
89.02328	6.3
94.19114	0.5
95.01299	1.0
97.02840	0.7
97.06491	1.9
99.08073	0.6
101.02369	4.1
103.00259	0.9
109.06509	0.7
111.08052	2.3
113.02354	6.4
113.05910	0.6
119.03419	2.2
123.08089	1.4
125.09657	1.5
129.09134	0.9
130.33299	0.6
133.02873	1.4
134.03191	0.6
135.04401	1.4
137.09695	1.0
139.07658	0.7
139.11246	1.1
143.03400	1.2
143.10690	2.5
155.10712	1.0
157.12308	1.3
161.02354	2.1
161.04524	2.4
165.12798	25.0
166.13217	1.4
171.13846	0.8
173.11736	0.8
179.05606	1.2
183.13870	75.4
184.14200	5.6
185.11758	3.9
185.39801	0.6
191.10710	0.7
197.15445	2.4
201.14954	1.7
203.07153	0.7
207.13881	1.8
209.11833	2.8
225.14960	1.4
227.12888	100.0
228.13211	7.3
231.12500	0.7
232.07581	0.6
241.14415	1.1
243.16095	4.4
251.12932	4.7
259.13849	0.8
269.14087	1.6
283.22900	1.0
285.24402	1.5
293.14188	0.7
329.16025	1.3
329.23434	7.4
347.24435	28.3
348.24866	2.6
359.24237	1.8
371.24527	1.9
389.17441	2.7
389.25534	74.9
390.25980	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	389.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	1.1
57.03338	0.9
58.00479	1.0
59.01264	100.0
60.01592	2.2
61.01675	0.5
65.51247	0.4
69.03354	0.5
71.01270	17.1
72.01617	1.0
72.99206	1.7
73.02839	3.8
75.00771	1.6
77.52771	0.4
83.01296	1.4
83.04926	0.6
85.02847	6.1
87.00782	1.4
89.02336	14.9
90.02692	0.6
93.86638	0.4
95.01292	1.3
97.02903	0.5
98.55951	0.4
99.00811	1.3
101.02347	12.5
109.06496	0.7
111.00832	0.5
113.02362	8.2
114.02694	0.5
118.98025	0.4
119.03416	6.2
123.70952	0.4
125.02388	0.4
129.01865	0.5
130.08670	1.4
131.03497	0.9
143.03479	1.9
143.11832	1.0
144.04495	1.1
153.09096	0.7
159.03009	0.9
161.04497	7.4
164.58488	0.5
179.05600	3.3
180.70364	0.4
209.11894	1.9
227.07123	4.3
227.12917	0.7
241.14482	4.1
329.16080	3.3
330.16751	0.7
347.17426	0.6
389.17831	9.4
389.21805	1.8
390.18497	1.2
390.26324	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	0.5
57.03329	1.1
59.01262	46.2
61.13040	0.4
63.98910	0.4
69.03349	0.5
69.65981	3.3
70.98574	0.4
71.01271	7.0
72.99197	1.4
73.02837	2.1
75.00768	3.8
83.04889	0.5
85.02831	2.3
87.00773	0.6
87.04411	0.6
89.02325	4.3
95.01300	0.7
96.95902	0.7
97.06530	0.5
101.02333	5.3
111.08118	0.6
113.02364	2.6
119.03426	2.2
119.04932	0.6
141.07028	0.8
143.03317	0.4
143.04955	6.4
145.02904	0.5
157.06500	1.0
159.08109	2.1
161.04504	1.7
179.05482	0.8
181.06599	0.6
182.07309	1.1
183.08080	2.6
185.04478	0.9
185.06041	11.3
186.06400	0.6
209.02119	3.0
209.11772	1.3
220.06157	0.5
225.05632	1.4
225.11415	0.8
227.07135	100.0
227.12927	3.2
228.07484	9.0
236.09827	0.5
239.11806	0.6
241.14476	28.8
242.14804	3.5
243.12485	1.1
251.11894	0.6
257.70590	0.5
280.08548	2.0
285.13547	3.1
295.10938	2.7
301.84464	0.5
303.14590	4.4
313.11981	3.7
319.77881	0.4
339.09857	0.9
345.15631	8.3
346.16068	0.9
357.11099	2.9
385.65363	0.4
389.08456	2.0
389.13272	0.9
389.18073	2.3
389.21869	1.9
389.25693	2.0
390.18384	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61121	0.6
59.01261	11.9
61.98716	100.0
65.38326	0.6
69.86665	4.1
71.01260	1.6
73.02846	0.9
89.02367	0.8
95.61659	0.7
96.78445	0.6
122.72314	0.7
155.25992	0.6
161.04527	0.9
245.37097	0.6
264.06668	0.6
280.66882	0.6
307.19244	0.8
313.36523	0.7
354.45847	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17551	0.8
57.03332	2.1
59.01263	100.0
60.01579	1.5
60.99643	0.9
68.25200	0.7
69.49821	7.0
71.01286	4.2
71.04887	0.9
72.99179	3.5
73.02834	2.6
75.00760	8.5
76.84528	0.8
85.02833	1.3
89.02322	3.3
101.02348	2.4
113.02340	0.9
118.97974	0.9
119.03420	1.3
161.04448	1.7
209.11809	1.7
219.41275	0.9
225.11287	1.8
227.12845	6.2
228.64731	0.8
241.14468	74.2
242.14832	6.5
243.12358	2.3
257.13757	0.9
257.17310	0.9
285.13464	7.2
303.14584	10.1
329.23337	1.1
345.15628	19.0
346.15771	1.8
359.15002	2.2
385.10614	1.0
389.17978	3.2
389.25687	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	388.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71650	0.3
52.40205	0.3
55.34481	0.2
57.63309	0.2
59.01264	2.5
61.98717	100.0
64.29408	0.2
69.86034	0.3
70.80016	0.8
71.01276	0.3
72.99203	0.8
75.00737	0.4
83.62862	0.3
87.15312	0.3
109.85796	0.3
117.53839	0.3
187.07693	0.4
189.85106	0.3
201.05608	0.4
247.07965	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
56.49716	12.9
57.52152	14.8
59.01266	100.0
71.01292	35.4
71.45623	22.3
85.02831	41.3
89.02331	26.3
101.01402	11.7
101.02328	14.4
110.37096	13.6
112.29012	12.7
113.02363	18.0
119.03425	16.5
131.42816	12.2
161.04546	13.4
232.01196	13.1
243.31264	13.1
261.95120	13.7
387.25327	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
66.30281	0.8
70.64281	2.1
70.64626	1.7
71.01274	1.5
85.02843	1.1
89.02291	0.9
107.26301	0.9
253.21696	7.2
316.40826	1.1
316.47522	0.9
330.58664	0.9
332.37756	1.0
387.25177	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	387.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06154	12.2
59.01268	100.0
71.01261	21.3
71.27506	13.3
73.60051	11.7
85.02872	25.6
89.02339	30.5
94.62977	11.4
98.36736	12.6
101.02372	24.0
124.20962	11.2
175.16130	11.4
260.86990	11.9
387.25543	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13115	0.1
55.01772	3.3
55.11883	0.2
56.99706	0.3
57.03335	4.7
58.00482	4.6
59.01265	84.0
60.01599	1.2
60.93675	0.2
60.99178	0.2
61.02838	0.2
61.98711	0.2
62.66449	0.1
68.99702	0.4
69.03343	1.0
69.45679	1.1
71.01270	100.0
71.04897	1.2
72.01604	1.8
72.99197	7.4
73.02836	17.1
74.03175	0.4
75.00764	1.6
79.64476	0.1
81.03354	0.6
83.01275	9.6
83.04916	0.3
84.01631	0.2
84.02071	0.6
85.02841	32.5
86.00021	0.2
86.03172	0.5
87.00775	6.7
87.04405	0.2
89.02336	66.7
90.02666	1.1
95.01286	6.7
95.04929	0.3
96.01618	0.3
97.02847	1.6
99.00782	8.1
99.04414	0.6
99.08086	0.2
101.02345	74.8
102.02676	1.7
102.98506	0.2
109.06518	0.5
111.00786	0.8
111.04440	0.2
111.08109	0.2
113.02355	41.8
114.02687	1.0
115.03926	0.5
118.34589	0.2
119.03416	28.8
120.03759	0.6
122.03588	0.1
123.08084	0.6
123.17754	0.2
125.02354	1.4
125.06020	0.3
125.09630	0.3
129.01875	1.5
131.03423	3.1
132.03802	0.2
133.01355	0.2
135.08118	0.3
136.05194	0.2
137.09663	1.4
138.06799	4.5
139.00284	0.5
139.07523	0.2
143.03432	7.3
145.10222	0.2
147.11682	0.2
149.04500	3.0
149.09634	0.2
151.11212	1.2
153.09157	11.5
154.09468	0.4
159.02937	6.1
161.04500	33.5
162.04797	1.1
163.11230	0.4
165.09067	0.2
165.12717	0.2
167.10741	0.3
179.05571	8.9
180.05936	0.3
181.12355	0.8
189.12822	0.6
195.13863	1.4
205.03534	1.5
207.13924	1.7
223.13313	0.2
225.14955	29.2
226.15292	2.4
239.12766	0.3
243.15738	0.2
249.00632	0.2
270.90784	0.1
297.17154	1.1
299.14957	0.2
343.13638	0.2
387.20316	36.9
388.20636	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	387.2033
Annotation	Sedumoside I
Peak:m/z	Relative Intensity
51.47075	0.9
55.01771	5.5
57.03339	8.1
58.00482	2.5
59.01263	93.1
60.01591	2.3
64.64745	0.8
69.03336	2.5
71.01269	100.0
71.04906	1.3
71.32941	0.8
71.57089	1.8
72.01596	1.0
72.99181	4.5
73.02834	37.1
73.03252	1.9
75.00753	5.5
81.03348	1.8
83.01269	12.7
83.04897	2.1
84.02080	1.9
85.02840	43.8
85.99977	2.7
87.00773	15.0
87.04401	1.9
89.02340	19.4
94.68482	0.9
94.91997	1.0
95.01283	7.4
96.95905	2.2
97.02837	2.5
97.06498	2.3
99.00775	14.1
101.02345	70.2
101.05987	1.0
102.98512	2.1
108.04426	1.8
111.00816	1.3
113.02353	41.1
114.02670	2.4
114.63873	0.9
119.03429	8.8
125.02370	2.4
129.01862	2.6
131.03497	1.2
133.02856	1.4
134.06013	2.5
136.01602	12.6
136.07620	1.8
137.02335	3.3
137.09641	1.5
137.71292	0.9
143.03423	4.7
151.00256	3.0
151.02831	1.5
151.03947	17.9
154.67737	1.0
159.02930	12.4
161.04495	65.8
162.04599	1.2
162.05679	1.6
163.11217	4.5
165.09261	1.8
166.02669	7.6
166.04906	1.4
171.10222	2.6
173.11856	1.2
177.12856	4.7
179.05608	1.3
180.06740	1.1
181.05028	11.5
181.12257	3.0
185.11829	1.4
195.13853	1.8
201.11197	1.1
205.03479	3.0
206.04593	1.5
207.13840	2.6
215.12846	1.4
223.13336	3.2
225.11330	1.7
225.15025	3.3
229.03352	1.0
238.37228	1.0
241.14421	3.1
283.15598	1.7
297.16940	1.2
325.16638	8.8
327.14447	1.1
343.13919	1.0
343.17596	6.8
345.15594	2.5
357.09680	3.4
369.22864	3.8
372.12195	2.5
387.15143	7.1
387.20224	49.8
387.24167	23.3
388.15842	1.6
388.20328	7.8
388.23364	1.2
388.24896	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	387.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.2
57.03336	1.5
58.00458	1.6
59.01263	90.9
60.01604	1.7
71.01266	30.1
71.55974	1.2
72.99194	3.7
73.02840	1.9
74.66094	1.1
75.00770	1.9
83.01285	2.9
85.02850	7.7
87.00745	1.4
89.02335	30.1
93.03336	1.8
95.01312	2.8
95.04932	1.6
101.02347	22.1
112.44861	1.2
113.02361	12.4
119.03398	13.1
121.02882	12.6
122.03195	1.4
123.04434	33.4
124.04787	1.8
139.07533	1.5
140.53944	1.3
143.03433	1.3
149.02347	5.3
152.06635	1.3
161.04460	1.4
163.11237	18.6
166.02626	1.8
177.01881	32.3
178.02600	1.8
179.05644	1.7
181.05017	1.2
192.04240	47.1
193.04805	2.4
207.06606	100.0
208.06973	6.1
225.14966	2.3
298.12036	1.1
351.16754	1.8
387.16718	62.4
388.16998	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	387.1668
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
57.03341	0.4
57.30624	0.3
58.00485	1.2
59.01262	63.9
60.01612	0.6
60.38326	0.3
62.60371	0.3
67.89354	0.4
69.67046	1.0
69.67473	1.2
71.01267	14.7
72.01605	0.5
72.99200	1.0
73.02857	0.9
83.01285	1.1
85.02848	2.8
87.00826	0.3
89.02335	12.4
90.02696	0.3
95.01298	1.0
98.20061	1.0
99.00819	0.5
101.02339	8.8
102.02671	0.3
113.02348	5.4
119.03403	4.5
131.03421	0.4
149.04466	0.3
161.04433	0.7
163.11224	4.4
179.05571	0.6
182.05922	0.3
207.10234	11.3
208.10573	0.9
225.11281	0.5
303.68002	0.3
387.16675	100.0
388.17007	11.7
388.47647	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2034
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
54.13115	0.1
55.01772	3.3
55.11883	0.2
56.99706	0.3
57.03335	4.7
58.00482	4.6
59.01265	84.0
60.01599	1.2
60.93675	0.2
60.99178	0.2
61.02838	0.2
61.98711	0.2
62.66449	0.1
68.99702	0.4
69.03343	1.0
69.45679	1.1
71.01270	100.0
71.04897	1.2
72.01604	1.8
72.99197	7.4
73.02836	17.1
74.03175	0.4
75.00764	1.6
79.64476	0.1
81.03354	0.6
83.01275	9.6
83.04916	0.3
84.01631	0.2
84.02071	0.6
85.02841	32.5
86.00021	0.2
86.03172	0.5
87.00775	6.7
87.04405	0.2
89.02336	66.7
90.02666	1.1
95.01286	6.7
95.04929	0.3
96.01618	0.3
97.02847	1.6
99.00782	8.1
99.04414	0.6
99.08086	0.2
101.02345	74.8
102.02676	1.7
102.98506	0.2
109.06518	0.5
111.00786	0.8
111.04440	0.2
111.08109	0.2
113.02355	41.8
114.02687	1.0
115.03926	0.5
118.34589	0.2
119.03416	28.8
120.03759	0.6
122.03588	0.1
123.08084	0.6
123.17754	0.2
125.02354	1.4
125.06020	0.3
125.09630	0.3
129.01875	1.5
131.03423	3.1
132.03802	0.2
133.01355	0.2
135.08118	0.3
136.05194	0.2
137.09663	1.4
138.06799	4.5
139.00284	0.5
139.07523	0.2
143.03432	7.3
145.10222	0.2
147.11682	0.2
149.04500	3.0
149.09634	0.2
151.11212	1.2
153.09157	11.5
154.09468	0.4
159.02937	6.1
161.04500	33.5
162.04797	1.1
163.11230	0.4
165.09067	0.2
165.12717	0.2
167.10741	0.3
179.05571	8.9
180.05936	0.3
181.12355	0.8
189.12822	0.6
195.13863	1.4
205.03534	1.5
207.13924	1.7
223.13313	0.2
225.14955	29.2
226.15292	2.4
239.12766	0.3
243.15738	0.2
249.00632	0.2
270.90784	0.1
297.17154	1.1
299.14957	0.2
343.13638	0.2
387.20316	36.9
388.20636	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	387.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	1.8
58.00478	3.0
59.01262	100.0
60.01611	1.2
62.82660	0.9
69.43290	7.3
71.01264	17.9
71.04919	0.9
71.99174	1.0
72.99184	2.5
73.02831	3.8
73.47489	0.9
75.00767	3.1
83.01279	1.2
84.19445	0.9
85.02834	6.8
87.00746	2.4
87.04387	1.6
89.02339	13.4
96.95921	1.6
97.02863	0.8
98.19942	2.0
98.20598	1.6
99.00750	1.7
99.04413	1.2
101.02341	10.0
101.20721	0.9
103.00269	1.2
113.02348	6.3
119.03423	5.6
131.00168	0.8
143.03419	1.9
159.02888	1.0
161.02371	1.0
161.04501	5.4
173.86877	0.8
179.05557	1.9
195.13890	1.8
211.01328	1.0
225.14912	1.7
226.15651	0.9
239.12897	9.8
257.13910	1.3
283.11758	1.4
284.03363	1.2
285.04123	1.3
297.04077	1.4
301.13113	1.5
327.05255	1.3
343.14111	6.5
369.06052	1.1
383.50070	0.9
387.16046	1.4
387.20248	4.9
387.24533	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	386.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64403	0.2
59.01260	1.9
61.98714	100.0
69.59412	0.2
70.00800	0.6
70.01221	0.8
71.01278	0.4
75.18607	0.2
89.02319	0.3
90.07572	0.3
90.59613	0.2
98.84754	0.2
113.02296	0.2
171.29079	0.2
209.11868	0.4
305.17670	0.8
323.18750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	1.4
57.03352	1.7
59.01265	88.2
69.73740	8.9
71.01267	32.9
72.99200	5.3
73.02823	2.1
75.00763	2.4
82.97997	1.2
83.01295	3.9
85.02854	5.8
89.02335	31.8
93.03355	3.0
95.01289	1.6
101.02349	20.5
101.04388	1.2
106.58683	1.2
110.11009	1.1
113.02351	14.0
119.03407	12.4
121.02869	12.4
123.04437	28.6
149.02402	5.3
163.11238	19.3
164.11519	1.7
166.02731	2.1
177.01894	37.9
178.02519	2.8
179.05614	1.5
192.04242	52.0
193.04771	4.7
196.31482	1.3
199.28491	1.2
207.06613	100.0
208.06950	5.9
225.06659	1.7
254.07901	1.4
261.86331	1.2
274.16248	1.3
351.16537	1.4
387.16714	51.9
388.17297	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	385.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	5.8
60.19929	0.5
61.98708	1.2
69.67425	3.6
71.01255	1.3
74.38449	0.6
74.55780	0.5
75.00735	0.7
85.02826	0.6
89.02316	1.2
91.03895	1.4
101.02309	0.8
113.02345	0.7
113.09599	0.8
115.07541	1.2
121.02870	1.1
128.08337	0.9
167.14389	2.9
183.13925	2.7
193.07091	0.5
195.13875	10.4
196.14307	0.7
211.13304	0.8
213.15039	1.4
229.67397	0.5
242.15268	0.8
249.22087	0.7
267.23245	0.9
293.21304	10.5
294.21634	1.3
309.97952	0.6
311.22339	100.0
312.22702	11.4
316.60730	0.5
385.16440	0.8
385.26010	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	385.224
Annotation	Oleandolide
Peak:m/z	Relative Intensity
53.76413	1.6
59.01261	25.7
61.98718	4.4
71.01273	4.7
71.06804	1.1
71.56113	1.9
72.58615	1.1
73.02832	1.4
75.00777	3.4
85.02866	2.1
89.02345	2.2
91.03901	3.1
97.06513	2.6
99.00813	2.2
113.02342	2.4
121.02851	1.3
122.03652	2.6
125.02338	1.2
148.05225	2.2
158.03647	2.4
161.02301	1.6
161.04478	1.3
167.14368	3.5
171.04466	1.3
172.05226	3.3
173.06004	2.2
174.03203	5.0
174.06766	2.4
184.05174	1.4
185.06058	2.0
186.03157	1.4
186.06779	3.5
187.03986	1.4
187.07635	7.6
193.15939	1.4
197.05876	1.5
199.07663	3.4
201.05544	2.1
201.09213	3.8
201.11299	5.3
203.07007	1.6
210.06906	1.6
212.04736	2.6
213.05643	1.2
214.02611	1.9
214.06317	2.0
215.07158	10.5
215.10516	1.6
216.07758	1.5
223.20634	2.7
225.09137	3.8
226.10017	2.2
227.07028	3.0
229.08575	1.8
231.10295	3.8
240.04355	1.7
241.08560	1.7
243.06624	4.5
243.10228	4.7
244.07375	2.2
244.11003	2.1
245.08179	2.1
249.18602	6.5
259.09750	2.8
260.10364	1.4
267.19705	100.0
268.19971	8.9
269.08298	2.6
275.16537	12.0
285.04114	3.5
287.09390	9.9
288.10043	7.9
293.17648	64.8
294.17953	5.2
311.18658	9.4
311.22263	2.9
313.14539	5.4
341.13849	6.1
367.15787	2.5
367.21268	7.2
368.21658	1.4
385.16684	19.8
385.22360	68.3
386.17648	2.8
386.22504	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	385.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60041	0.7
55.01779	3.9
55.56455	0.6
57.03342	5.7
58.00472	1.3
59.01265	31.7
68.99702	0.7
69.03357	1.8
71.01270	78.5
71.04927	1.4
71.56275	1.2
72.01613	1.8
72.99197	3.3
73.02837	24.2
75.00777	7.1
78.77710	0.6
81.03358	1.9
83.01275	8.8
83.04903	1.8
85.02843	30.5
86.03183	0.9
87.00780	4.9
87.04391	0.7
89.02345	10.5
93.00970	0.6
95.01290	6.2
95.04945	1.6
97.02879	2.4
97.06525	0.7
97.29647	0.5
99.00782	9.2
99.04422	3.2
101.02349	42.6
102.02669	1.5
102.97158	0.6
108.02079	0.7
109.02863	8.4
109.06516	1.4
111.04437	1.4
113.02359	33.6
115.03926	0.7
119.03429	2.3
121.06529	0.7
123.04453	4.5
123.08077	2.0
125.02372	1.7
125.06026	1.3
129.01881	1.2
131.03407	1.0
135.08122	1.3
136.05238	4.7
137.02390	0.7
137.06030	2.1
137.09669	1.7
139.00284	0.9
139.07564	0.7
143.03406	3.6
149.06087	3.2
150.06729	3.1
151.07600	4.9
151.11249	6.6
152.01097	1.1
153.09158	24.6
154.09496	1.3
159.02942	8.5
161.04509	39.8
161.05984	1.9
161.09666	4.6
162.04755	1.1
163.07631	1.8
163.11214	1.3
164.08377	1.3
165.09164	2.5
167.07036	1.7
175.07611	6.0
175.11160	0.8
177.12796	12.6
178.06303	1.0
179.05591	0.9
179.10739	27.2
180.07863	3.6
180.11047	1.3
181.03778	2.7
181.08617	2.2
181.12282	1.4
187.11261	2.6
189.09187	2.6
189.12828	1.0
190.09962	4.1
193.08647	3.2
193.12360	1.2
195.13899	0.9
203.10628	0.9
204.11478	4.1
205.03543	2.2
205.12326	69.0
206.12683	5.0
208.11079	5.1
219.13934	2.1
223.13399	100.0
224.13725	6.7
277.14307	1.0
293.14026	1.4
341.11957	1.0
341.16040	7.7
367.17596	2.5
385.18707	45.4
386.19040	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	385.1879
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
50.60041	0.7
55.01779	3.9
55.56455	0.6
57.03342	5.7
58.00472	1.3
59.01265	31.7
68.99702	0.7
69.03357	1.8
71.01270	78.5
71.04927	1.4
71.56275	1.2
72.01613	1.8
72.99197	3.3
73.02837	24.2
75.00777	7.1
78.77710	0.6
81.03358	1.9
83.01275	8.8
83.04903	1.8
85.02843	30.5
86.03183	0.9
87.00780	4.9
87.04391	0.7
89.02345	10.5
93.00970	0.6
95.01290	6.2
95.04945	1.6
97.02879	2.4
97.06525	0.7
97.29647	0.5
99.00782	9.2
99.04422	3.2
101.02349	42.6
102.02669	1.5
102.97158	0.6
108.02079	0.7
109.02863	8.4
109.06516	1.4
111.04437	1.4
113.02359	33.6
115.03926	0.7
119.03429	2.3
121.06529	0.7
123.04453	4.5
123.08077	2.0
125.02372	1.7
125.06026	1.3
129.01881	1.2
131.03407	1.0
135.08122	1.3
136.05238	4.7
137.02390	0.7
137.06030	2.1
137.09669	1.7
139.00284	0.9
139.07564	0.7
143.03406	3.6
149.06087	3.2
150.06729	3.1
151.07600	4.9
151.11249	6.6
152.01097	1.1
153.09158	24.6
154.09496	1.3
159.02942	8.5
161.04509	39.8
161.05984	1.9
161.09666	4.6
162.04755	1.1
163.07631	1.8
163.11214	1.3
164.08377	1.3
165.09164	2.5
167.07036	1.7
175.07611	6.0
175.11160	0.8
177.12796	12.6
178.06303	1.0
179.05591	0.9
179.10739	27.2
180.07863	3.6
180.11047	1.3
181.03778	2.7
181.08617	2.2
181.12282	1.4
187.11261	2.6
189.09187	2.6
189.12828	1.0
190.09962	4.1
193.08647	3.2
193.12360	1.2
195.13899	0.9
203.10628	0.9
204.11478	4.1
205.03543	2.2
205.12326	69.0
206.12683	5.0
208.11079	5.1
219.13934	2.1
223.13399	100.0
224.13725	6.7
277.14307	1.0
293.14026	1.4
341.11957	1.0
341.16040	7.7
367.17596	2.5
385.18707	45.4
386.19040	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	385.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31341	0.7
50.48574	0.8
51.54417	1.0
55.01770	4.0
55.23087	0.8
57.03337	10.1
58.00491	3.3
58.34025	0.8
59.01266	72.3
69.03333	2.1
71.01273	100.0
71.04906	1.3
71.56135	1.6
72.01597	1.1
72.99199	5.8
73.02837	19.4
75.00756	2.6
75.06769	0.8
78.92088	0.9
80.60854	0.8
83.01276	7.8
83.04910	2.4
85.02847	27.0
85.03363	1.4
87.00776	10.6
89.02342	54.3
90.02686	1.1
93.03329	2.0
95.01300	6.3
95.04935	2.4
97.02854	6.6
97.06494	2.4
99.00790	8.1
99.04425	2.6
101.02350	50.8
101.99352	0.8
102.02688	1.4
105.06960	1.4
107.04914	1.1
108.05733	2.3
109.02856	1.1
109.06509	3.4
111.00774	1.3
111.04434	1.1
111.08061	2.4
113.02361	35.7
113.05997	2.9
114.02691	2.4
115.00301	1.0
119.03431	18.2
121.06571	1.0
122.03664	2.6
123.08088	6.5
125.01537	0.9
125.02376	2.1
125.05983	3.1
127.00296	29.1
129.01854	2.4
131.03461	2.0
133.01398	0.9
136.05235	3.5
137.06004	2.3
138.06801	22.5
139.07623	10.7
143.03427	3.8
147.08102	2.8
149.04465	1.4
149.06046	2.7
150.06812	2.8
151.07590	20.0
152.04732	3.2
152.08379	47.7
153.09161	92.1
154.09505	4.7
157.01376	1.0
159.02950	6.4
159.11688	1.2
161.04506	26.8
163.11224	5.6
165.09177	14.5
166.09618	1.0
167.07086	2.4
175.07599	1.2
177.12912	1.3
179.05591	4.5
179.06961	1.0
179.10742	2.8
181.12340	1.1
187.11212	2.5
189.09158	1.1
190.09964	3.3
205.03493	1.2
205.12335	43.6
206.12650	3.4
221.11922	1.6
222.12576	7.3
223.13394	32.4
224.13690	2.3
234.38466	1.0
278.21097	1.2
304.07083	1.2
326.23465	2.0
344.24426	7.3
385.18811	18.8
386.14258	0.9
386.19162	2.5
386.25568	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	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.4
57.76366	0.3
58.19936	0.2
59.01263	100.0
60.01596	1.0
63.23516	0.2
69.00356	0.3
69.03339	0.3
71.01278	2.4
71.56248	0.4
72.99200	0.6
73.02843	1.2
75.00756	1.8
83.04926	0.4
85.02862	0.7
85.47408	0.2
89.02345	0.8
96.95888	0.3
97.06481	0.4
101.02320	1.5
102.98500	1.2
113.02351	0.9
114.15537	0.3
119.03399	0.3
137.02405	0.5
152.01117	0.4
153.09169	0.4
155.10759	0.3
156.69925	0.3
161.02544	0.3
161.04514	1.0
179.10756	0.8
187.11372	0.3
202.72800	0.3
205.12402	0.7
209.00938	1.0
223.13393	0.7
239.13084	0.3
283.11920	0.3
291.11481	0.3
313.14618	0.7
343.23233	0.9
385.12247	0.4
385.17368	1.0
385.22867	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	385.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29136	0.8
57.03334	2.5
58.00471	1.7
58.03017	0.8
58.99503	1.1
59.01265	99.9
60.01626	1.3
69.03352	3.0
70.95004	1.8
71.01272	35.6
71.01669	1.7
72.99194	7.4
73.02825	3.9
75.00758	9.8
77.06743	0.9
78.71529	0.9
79.05416	0.9
81.03361	1.0
83.01279	2.6
83.04932	2.2
84.02116	1.0
85.02837	7.7
87.00761	1.9
87.04442	1.0
89.02338	15.4
93.03357	0.9
94.12360	1.0
95.01300	1.2
95.04865	1.1
97.02856	3.2
97.06483	2.3
98.80276	1.1
99.00799	2.7
99.04414	2.0
101.02351	7.3
102.98483	4.6
103.00277	1.0
109.02882	0.9
109.06553	0.9
113.02347	11.6
119.03416	4.8
121.02888	1.4
121.06510	14.0
123.04411	1.3
123.08103	2.5
127.04991	1.1
130.08649	1.0
133.02779	1.0
135.11713	10.3
139.03926	1.5
143.03391	1.3
143.08650	0.9
161.02368	1.4
161.04497	2.6
161.09676	3.6
165.09148	1.0
179.10738	100.0
180.11082	6.4
185.06039	1.1
193.12323	2.2
197.05952	1.4
199.07693	2.1
203.10834	2.0
205.08739	1.8
209.06010	1.2
211.03986	0.9
211.07628	2.7
213.05692	1.0
213.09200	2.7
215.10785	1.1
221.11855	1.6
223.09740	52.7
224.10245	4.6
225.05637	0.9
225.09258	1.9
226.06517	1.0
227.10808	3.7
237.11375	2.1
239.07257	2.0
239.10793	1.7
240.07822	1.3
241.08766	4.1
241.12404	3.3
242.12900	1.2
247.09825	1.6
251.10735	1.1
255.10324	3.1
256.11105	1.6
257.08438	1.2
265.10764	4.3
266.09564	2.7
267.10416	1.9
267.14029	1.4
269.11740	4.8
270.12680	4.0
271.13519	1.6
283.10049	2.0
283.13480	2.5
284.10681	4.1
285.15039	2.7
294.12784	1.3
295.13559	2.9
297.15106	1.0
299.11368	2.3
311.13132	1.8
313.14523	29.1
314.14899	3.7
323.16785	1.4
327.12558	2.1
339.15964	1.5
341.14069	4.3
341.17783	1.4
343.21310	2.7
344.24469	2.9
356.12695	1.1
357.17206	2.2
367.15720	4.7
385.16745	37.0
385.22418	5.6
386.17053	2.6
386.25937	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	385.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	1.2
58.99498	1.1
59.01266	100.0
60.01608	0.8
69.47990	1.6
69.48409	1.5
71.01266	4.5
71.04929	0.4
72.99213	0.7
73.02856	0.7
75.00755	2.2
78.48867	0.5
83.01269	0.5
83.04918	0.5
85.02833	1.0
87.00746	0.5
89.02351	1.1
95.01287	0.4
97.02889	0.4
99.00726	0.4
99.04443	0.7
101.02356	1.9
102.98505	6.2
109.02899	0.4
109.33161	0.4
113.02364	1.2
125.02402	1.3
126.67535	0.4
137.02399	1.6
149.12019	0.4
150.09180	3.0
152.01204	0.4
152.03625	0.4
161.04582	0.8
163.11273	0.7
164.01118	0.5
165.01913	1.4
167.03548	0.9
167.06168	0.4
168.00626	0.6
175.07643	0.5
179.10756	1.4
181.12338	1.2
196.77875	0.5
205.12350	0.7
209.00858	0.6
211.07660	0.5
223.09885	1.4
229.08690	1.0
241.08827	0.7
254.09711	0.4
255.14487	0.6
267.10352	0.5
307.00171	0.5
313.14642	1.5
323.13138	0.9
326.07919	0.7
357.17526	0.5
367.12100	1.2
385.12540	1.0
385.17209	2.2
385.22852	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	385.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.76158	0.3
59.01262	100.0
60.01606	0.9
66.32949	0.4
69.57272	0.9
69.57684	2.0
71.01266	2.7
72.99211	0.5
73.02845	0.5
74.44837	0.4
75.00755	1.3
83.04953	0.4
85.02849	1.0
89.02346	1.0
98.20506	0.6
101.02367	1.4
102.98527	1.1
113.02383	1.1
116.32303	0.3
119.03362	0.5
152.79803	0.4
153.16280	0.4
161.04520	0.8
179.10771	0.8
205.12219	0.9
209.00911	1.3
223.13318	0.5
343.23303	0.7
385.04416	0.4
385.17191	0.8
385.23019	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96057	0.3
53.30692	0.3
55.78552	0.3
57.03342	0.8
59.01263	100.0
60.01593	1.1
61.98717	3.1
62.68603	0.4
69.03358	0.8
71.01267	10.2
71.58884	0.4
72.99197	1.2
73.02840	1.6
75.00761	4.2
81.03372	0.5
83.04889	0.8
85.02833	1.0
87.00739	0.4
89.02353	0.9
92.98083	0.3
93.03384	0.5
95.01309	0.4
96.95901	0.5
97.02900	0.4
97.06508	1.7
99.04433	1.3
101.02359	1.3
109.02871	0.9
111.04485	0.5
113.02367	1.0
120.99508	0.4
121.02901	1.0
121.06510	18.7
122.06846	0.8
125.02301	0.4
133.02834	0.4
135.04469	0.6
137.02368	0.7
137.09702	0.4
139.03941	0.5
139.07634	0.4
148.05225	1.1
159.27895	0.4
161.02412	0.8
161.04497	0.4
163.07605	0.7
173.06075	0.4
177.05598	0.4
179.10739	1.3
183.04410	0.5
186.03270	0.8
186.06650	0.5
187.03999	0.5
187.07654	1.0
187.11409	0.4
187.13452	0.4
189.02177	0.7
197.06108	0.5
199.07713	0.5
202.06389	0.4
205.12349	0.6
209.00966	0.5
211.07744	1.1
212.04893	0.4
213.05553	0.4
213.09254	1.2
215.07219	1.3
216.07979	0.6
223.09846	1.1
223.13486	0.6
225.09248	1.2
227.07022	0.6
227.10867	0.6
229.05136	0.4
239.07272	0.4
239.10870	0.6
240.07919	0.4
241.08730	1.0
241.12419	1.9
242.13153	0.9
243.10326	0.5
255.06691	0.5
255.10417	0.9
255.14014	0.7
256.11179	1.1
257.08304	0.6
257.11749	0.5
258.48941	0.4
266.09573	0.6
267.10199	0.6
269.08279	0.5
269.11935	2.3
270.12604	1.0
271.13480	0.7
281.17734	1.6
283.09946	0.7
283.13580	0.9
284.10657	1.2
285.11935	0.5
285.15121	1.6
295.13443	0.8
297.14853	0.5
299.11703	0.4
299.16531	0.5
301.14417	0.6
313.10834	0.6
313.14520	13.5
314.15005	1.1
323.16623	0.5
325.14246	0.4
327.12521	0.8
339.16183	1.4
341.14304	1.9
341.17902	0.6
343.21368	0.9
357.17297	1.1
367.15723	1.2
385.16809	14.9
385.22433	3.7
386.17041	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	385.1151
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
57.54521	0.5
59.01270	2.7
70.85143	1.3
71.01261	0.7
90.24464	0.5
93.03384	1.1
109.02894	0.6
113.02379	0.6
121.02881	7.9
126.76861	0.5
135.04442	4.5
137.02388	1.3
143.79895	0.5
149.02386	57.5
150.02739	3.1
151.04053	0.7
152.01099	8.4
163.03961	7.4
164.04744	41.0
165.01906	2.8
165.05080	2.9
167.03491	1.6
169.05013	2.8
179.07082	11.0
179.08571	0.8
193.01408	25.1
194.01685	1.4
208.03769	44.9
209.04137	1.8
223.06126	100.0
224.06476	7.5
258.19403	0.6
354.82483	0.5
385.11517	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	385.1151
Annotation	4-O-beta-D-Glucosyl-sinapate
Peak:m/z	Relative Intensity
55.01777	0.3
56.82095	0.3
57.03332	0.6
58.00498	0.5
59.01264	11.6
61.42471	0.3
65.00216	0.3
69.57672	0.9
69.58084	1.0
70.38757	0.3
71.01270	7.0
72.99207	0.6
73.02854	0.4
75.00754	0.7
80.51881	0.3
83.01308	0.3
85.02848	1.7
87.00781	0.5
89.02338	6.9
93.03345	1.3
95.01292	0.4
98.20599	0.6
101.02354	3.6
105.86038	0.3
109.02879	0.8
113.02363	2.8
119.03421	2.9
121.02860	5.8
121.99914	0.3
123.04397	0.3
135.04453	2.9
136.01563	0.5
136.05222	0.4
137.02377	1.1
137.05960	0.3
143.03392	0.5
149.02382	40.8
150.02704	1.8
150.06856	0.6
151.03963	0.6
151.07576	0.8
152.01093	7.2
153.01465	0.3
153.09116	1.7
161.04478	0.7
162.06805	0.7
163.03960	5.3
163.07587	0.9
164.04742	35.5
165.01869	2.3
165.05052	2.1
167.03479	1.2
169.05028	3.6
179.03497	0.6
179.05664	0.7
179.07088	11.3
180.04312	0.5
180.07841	2.4
181.08685	1.8
181.33461	0.3
193.01399	19.0
194.01764	1.1
205.12334	2.5
206.99323	0.3
207.03073	0.3
207.06601	0.3
208.03761	43.0
209.04132	2.8
223.06120	100.0
224.06468	6.2
233.04594	0.3
265.07236	0.6
385.11484	1.2
387.86725	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31642	0.8
55.01767	1.0
57.03314	0.9
59.01263	100.0
60.01607	1.8
69.86276	4.7
71.01266	32.1
73.02829	5.3
75.00779	1.0
83.01270	2.7
85.02837	7.3
87.00764	3.7
87.56512	0.8
89.02328	3.7
99.00805	2.0
101.02344	12.8
113.02343	7.8
119.03447	1.1
119.04944	1.1
129.01884	1.1
129.84300	1.1
143.03433	1.2
147.06560	32.5
148.06885	1.2
159.02867	1.1
161.02403	1.8
161.04504	13.1
168.24092	0.9
173.08109	6.0
194.05647	0.9
201.07683	6.8
203.05341	1.2
263.11404	33.3
264.11542	1.8
280.05948	0.8
291.10892	15.9
323.13535	1.9
383.11807	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	383.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
58.51844	1.9
59.01262	36.2
61.98740	4.4
71.01270	5.9
71.56911	3.0
71.57310	2.3
80.65109	2.1
85.02855	3.2
89.02338	3.4
91.03946	2.2
93.49052	1.6
99.00772	2.9
101.02351	4.0
105.94549	1.7
113.02376	4.0
113.09678	2.0
161.04553	2.4
165.12788	3.8
171.07170	1.8
173.07973	1.8
195.13849	1.9
211.13312	4.1
219.97728	2.4
221.15538	2.7
247.20609	3.3
256.03580	1.9
263.11520	2.2
263.16397	2.0
285.04001	3.8
286.04504	4.1
291.19730	31.6
291.22787	3.3
309.20764	100.0
310.21078	10.9
323.09988	5.1
383.10977	2.7
383.24368	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	382.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	100.0
60.01607	0.8
70.63335	0.7
70.63683	1.1
71.01279	0.4
80.82111	0.4
80.96440	0.5
106.41873	0.3
154.10001	0.3
255.23524	0.5
322.27682	1.1
323.09958	0.6
363.42929	0.4
377.59399	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2356
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02861	10.9
59.01268	1.0
59.03203	0.2
60.79568	0.1
61.98714	0.1
66.03367	0.7
71.01255	0.2
71.04906	0.1
71.40078	0.1
75.00761	0.3
80.04951	0.3
81.06999	0.3
86.02370	0.3
94.07443	0.1
96.04445	0.1
96.08089	0.4
97.06520	0.1
105.71623	0.1
112.03951	0.2
113.02338	0.1
114.05519	100.0
115.05219	0.2
115.05861	2.7
125.05984	0.1
129.10298	0.8
138.07895	0.2
138.09036	0.1
139.08708	0.7
140.07104	1.0
145.16841	0.1
148.04938	0.1
151.00340	0.2
154.08661	0.2
161.02454	0.1
164.14394	1.4
165.14687	0.1
169.09760	0.3
171.11398	0.2
172.09706	0.2
172.68388	0.1
182.15451	0.1
195.14992	2.1
196.15425	0.2
197.16577	2.6
198.16861	0.2
201.09314	0.1
202.09518	0.2
208.13416	6.8
209.13765	0.5
215.12930	0.1
225.16090	5.0
226.16415	0.3
227.13994	0.8
230.09044	0.1
235.32324	0.1
263.11331	0.1
267.17194	8.4
268.17471	0.6
281.17432	0.1
288.68887	0.1
296.23495	4.6
297.24042	0.4
338.24530	2.0
339.24863	0.3
346.14972	0.1
364.09045	0.2
382.10452	0.8
382.23547	20.8
383.15533	0.2
383.23926	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	382.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92503	1.3
59.01006	1.3
59.01266	16.5
61.98710	10.2
69.77006	7.6
70.42791	1.2
71.01266	13.6
72.99197	12.1
75.00759	16.2
85.02824	3.8
85.77010	1.2
87.00764	13.7
89.02319	4.6
93.03309	2.0
98.02385	13.5
101.02353	4.2
107.04923	2.3
107.29389	1.5
113.02327	2.4
115.05475	6.3
116.04964	3.5
119.04966	6.2
121.02888	1.8
126.88513	1.2
130.06561	7.2
132.04478	24.6
133.02737	1.5
133.06438	1.4
135.04399	4.2
144.04553	1.9
147.04437	4.1
157.05234	2.0
158.06059	100.0
159.06360	5.3
160.03964	2.1
161.02336	7.5
161.04623	2.2
163.03856	1.2
174.05539	4.2
176.07118	7.8
177.01935	1.4
185.02176	1.9
202.05083	48.4
203.05302	2.8
220.06131	16.5
221.06459	1.7
237.06104	6.9
239.10822	1.4
239.83067	1.3
249.06177	10.2
262.07248	2.6
292.31995	1.4
306.45084	1.5
382.11496	94.7
383.12036	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	381.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08333	0.1
52.55160	0.1
54.54396	0.1
55.01773	3.6
57.03338	2.8
58.00479	1.6
59.01263	28.1
60.01596	0.3
67.01775	0.2
68.99712	0.2
69.03346	0.9
70.04980	0.7
71.01270	32.5
71.04901	0.6
72.01604	0.6
72.99200	2.7
73.02836	17.4
73.06480	0.5
74.03164	0.4
75.00777	1.3
81.03339	0.4
81.22912	0.1
83.01276	14.6
83.04885	0.2
84.01608	0.3
84.02060	0.2
85.02843	20.9
85.99993	1.1
86.03178	0.4
86.14734	0.1
87.00769	2.0
87.04411	0.2
89.02334	4.1
90.90669	0.1
95.00710	0.3
95.01285	2.9
97.02842	1.6
98.20438	0.2
99.00777	6.0
99.04409	0.3
101.02347	44.0
102.02709	1.1
103.03904	1.8
111.00810	1.0
113.02358	14.6
113.53206	0.2
114.02661	0.3
115.03901	0.3
119.03431	0.9
125.02384	1.9
127.03943	0.3
129.01854	0.9
129.10423	0.1
131.03435	0.3
141.01855	0.3
143.03436	1.6
143.07059	0.5
145.01390	0.3
145.05008	0.9
159.02953	2.9
161.04512	13.6
162.04822	0.4
162.85143	0.1
163.06036	0.9
177.01932	1.4
187.05983	0.2
205.03520	0.7
212.96173	0.1
229.07205	0.6
235.11890	100.0
236.12228	5.6
240.83505	0.1
247.08318	0.8
249.13533	0.2
279.10870	1.0
280.11343	0.2
321.15625	0.2
343.82443	0.1
381.17749	31.2
382.18069	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	381.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.2
59.01262	3.2
63.02279	1.1
65.00203	4.1
66.92100	0.3
67.85623	0.3
71.01297	0.6
72.11814	0.3
75.00742	0.5
80.96425	0.5
81.03301	0.3
83.01265	2.4
107.01291	6.9
123.04435	0.9
124.01591	0.8
125.02361	8.7
132.00023	0.3
132.16284	0.3
137.02299	0.3
145.02904	0.5
149.02431	0.4
151.00301	19.6
152.00717	0.6
159.04443	0.8
159.17642	0.3
160.05228	0.3
161.02371	5.1
162.02733	0.5
162.18918	0.3
165.01917	1.8
167.03476	2.8
169.01361	1.0
171.04521	0.6
172.05243	3.5
173.05965	0.7
174.99287	0.4
175.03929	2.8
177.01881	0.5
182.03674	0.4
183.04483	1.2
185.06001	1.6
186.06807	1.1
187.03976	2.4
187.07521	0.6
188.04720	0.6
189.01939	0.4
196.05257	1.5
197.05943	0.5
198.03206	0.6
199.03920	1.1
199.07663	0.3
200.04768	2.1
200.08421	0.7
201.05385	0.4
201.09184	3.5
203.03499	0.3
204.04231	0.7
209.06181	0.5
210.06894	0.6
211.04012	0.6
211.07611	2.7
212.04774	0.5
212.07869	0.3
213.05582	0.8
214.02547	0.5
214.06317	1.0
215.03484	0.7
215.07080	0.3
216.04182	0.5
217.00240	1.5
221.05991	0.4
224.04787	4.0
225.05492	0.5
225.09218	0.5
226.02763	0.5
227.03505	1.6
227.07117	0.5
229.08696	7.8
230.09050	0.8
233.06172	0.5
236.04724	0.4
237.05542	1.4
238.06299	1.0
240.04276	1.1
241.05008	0.6
243.02994	0.7
248.04819	0.7
249.05565	0.7
250.02759	0.4
250.06296	0.7
251.03546	1.0
251.07133	0.5
253.05096	1.5
253.08702	1.3
254.05695	0.5
255.03012	10.5
255.06639	2.9
256.03537	1.0
261.05594	0.9
262.06345	0.8
263.03540	1.5
263.06973	0.3
264.04355	2.3
265.05054	1.2
266.05908	1.2
267.03082	0.7
267.06403	0.3
277.05124	1.4
277.08621	0.4
278.05768	0.8
279.06699	1.0
280.04083	0.4
280.07419	0.4
281.04578	0.9
283.02612	3.9
283.05801	0.4
284.03122	0.9
289.05112	0.4
290.05942	0.9
291.06573	0.4
292.04004	0.4
293.04510	0.8
293.07986	0.4
294.05362	0.5
295.02618	0.4
295.06253	0.5
295.09674	0.8
296.03305	0.8
296.06720	0.3
304.07138	0.4
305.04639	0.9
306.05353	2.1
307.06042	0.8
308.03345	2.0
309.04105	11.3
309.07721	0.7
310.04404	1.3
322.04846	2.5
323.05597	6.1
324.06116	0.9
333.04126	0.8
334.04901	3.0
335.05487	0.7
337.07233	16.8
338.07578	1.7
351.05194	2.5
352.05865	2.3
354.03790	1.1
363.08716	1.8
366.03842	0.5
381.09860	100.0
382.10184	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	380.2814
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01607	1.1
60.86711	0.3
71.56767	0.3
71.57109	0.4
86.02370	0.7
87.61885	0.3
217.00357	1.4
242.74969	0.3
250.13065	0.4
320.26080	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	381.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03999	0.5
57.03337	1.1
59.01264	6.6
60.70875	0.5
62.89310	0.5
63.02280	5.1
65.00207	12.3
71.01268	0.8
71.52842	0.8
75.00747	1.6
81.03345	1.0
83.01282	7.1
93.03326	0.6
96.95876	0.6
97.06482	0.9
107.01292	17.9
121.02863	1.1
123.04439	1.9
124.01583	0.9
125.02366	9.1
128.61569	0.6
135.08057	0.6
146.03648	0.9
148.05226	0.9
149.02367	1.7
151.00305	42.9
152.00716	1.8
161.02391	2.3
165.01871	1.3
167.03377	2.9
169.01353	2.5
172.05223	7.0
173.05914	0.8
174.03192	1.2
174.99225	1.1
178.84685	0.5
182.87506	0.5
183.08264	0.7
185.06013	3.8
186.03258	0.7
186.06836	3.1
187.04010	1.3
187.07541	0.7
196.05098	0.8
198.03197	0.6
199.07625	0.8
200.04726	1.6
200.08322	0.7
201.09186	41.3
202.09464	2.6
211.07611	0.6
212.04709	0.8
213.05560	1.0
214.06250	0.8
215.06927	1.2
217.00264	4.4
223.13362	0.7
225.09181	1.1
227.07114	1.5
229.08702	21.1
230.09073	2.6
237.05551	0.7
250.06281	0.6
251.07147	2.3
255.03033	2.3
255.06631	3.1
256.03485	0.7
277.05258	0.8
277.22821	0.6
279.06793	2.9
283.02454	1.3
284.03342	2.7
295.02646	0.6
295.06400	0.6
306.05365	0.9
308.03265	1.9
309.04102	16.6
310.04453	1.5
314.25708	0.6
324.02908	1.0
324.06354	0.7
335.09186	3.0
337.07196	6.2
353.10297	4.8
363.08813	21.6
364.09143	3.3
381.09869	100.0
382.10229	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	379.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16294	0.3
55.90966	0.3
57.03353	0.5
59.01263	22.6
59.25873	0.3
62.78090	0.3
70.70984	1.1
71.01270	1.5
73.02847	0.5
75.00764	1.1
78.02338	0.3
85.02848	1.0
88.67439	0.3
89.02346	1.2
94.55114	0.3
95.01300	0.4
96.19740	0.3
96.95892	0.4
101.02348	1.2
111.08096	0.6
113.02363	2.0
113.09624	1.2
137.09683	1.5
139.07558	0.7
145.02896	0.4
155.10719	22.2
156.11052	1.2
157.08644	55.3
158.08963	2.6
161.04506	0.4
171.10268	0.4
173.04471	0.7
199.09732	7.0
200.10022	0.4
204.67392	0.3
217.10808	100.0
218.11145	5.6
223.09842	1.6
233.06679	0.7
241.10619	0.5
259.11935	2.3
277.08728	0.3
285.08710	0.3
319.08228	0.4
319.14001	0.6
379.16092	10.6
379.23624	0.5
380.16351	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.162
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60873	0.4
59.01267	100.0
60.01606	1.5
70.89603	1.3
71.01279	6.6
72.99205	1.0
73.02866	0.9
75.00783	0.7
85.02863	1.8
89.02343	6.5
95.01298	0.6
96.95943	1.4
99.00772	0.7
101.02349	4.6
113.02368	3.0
119.03416	3.3
131.03487	0.5
135.04463	4.0
139.07561	0.6
143.03436	0.5
157.08591	3.3
161.04584	1.2
179.05582	0.6
199.09822	0.5
217.10765	0.6
242.00989	0.5
282.94559	0.5
319.14063	35.1
320.14456	2.8
379.16382	1.6
380.15866	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	379.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01783	0.8
57.03334	0.9
58.00501	0.3
58.58277	0.2
59.01263	100.0
60.01612	1.4
67.01807	0.3
71.01268	56.3
71.04896	1.1
71.14598	0.4
71.14952	0.5
72.01605	0.8
72.99196	0.7
73.02833	6.2
75.00763	1.0
81.73827	0.3
83.01277	2.4
85.02844	7.7
85.99973	1.8
87.00766	4.1
87.04401	1.1
89.02338	4.0
93.03367	1.3
94.22181	0.2
94.37184	0.2
95.01257	1.2
96.95908	0.3
97.02838	0.7
99.00792	1.7
99.04431	1.9
99.08043	0.4
101.02341	11.0
101.05956	0.7
103.82676	0.3
111.00770	0.4
111.04441	0.5
113.02354	7.3
115.03884	1.0
115.07587	1.8
117.05452	1.1
119.03342	0.9
125.02328	0.4
129.01788	0.4
137.02348	0.4
143.03381	0.9
143.07083	2.4
150.84293	0.3
159.02849	1.0
161.03253	0.4
161.04500	7.1
161.08134	12.8
162.08543	0.4
173.03157	0.4
173.04504	5.8
187.09743	3.7
188.10072	0.4
189.07930	0.3
201.11212	0.6
209.11635	0.7
215.09250	2.0
233.06664	6.3
234.06905	0.5
259.09473	0.3
259.11899	3.8
260.12161	0.3
277.12973	12.9
278.13010	1.0
305.12170	0.7
319.08200	0.4
319.13651	2.6
319.17307	0.5
347.13141	1.1
379.19730	4.9
380.19763	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59968	0.3
53.62385	0.3
59.01265	1.7
61.98714	100.0
62.81797	0.3
69.27157	2.4
69.27579	1.1
70.93639	0.4
95.04913	0.4
98.19840	0.7
113.29700	0.3
120.61501	0.3
152.99509	0.5
163.03929	0.4
164.04292	0.4
171.00659	0.3
174.99173	0.3
180.01434	0.3
191.03426	0.7
192.03850	0.7
219.97871	0.4
293.21298	0.4
294.21753	0.4
308.43039	0.3
341.09741	0.5
364.90414	0.3
378.19000	5.8
378.23352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2315
Annotation	vitexilactone
Peak:m/z	Relative Intensity
53.56854	0.6
59.01187	19.6
59.01519	2.6
61.98656	0.7
70.94724	1.9
71.01170	0.7
84.34719	0.5
95.04840	1.0
98.28671	0.6
99.92397	0.7
114.82281	0.6
119.04815	0.6
121.02825	0.8
125.09583	1.5
127.11152	0.9
135.04417	3.1
141.12657	1.2
142.13707	0.7
145.02861	0.7
147.04320	0.7
151.11153	1.5
153.12801	0.5
163.03848	2.6
171.10208	35.9
172.10474	1.7
191.03473	7.5
191.06859	0.8
192.04037	2.4
208.10457	0.6
209.07799	0.9
249.22079	1.5
277.21771	41.2
278.22092	4.9
295.22836	100.0
296.23199	12.1
317.21011	33.6
318.21494	3.3
333.22934	1.6
335.20807	1.7
361.20074	5.9
362.20380	1.8
377.23010	35.8
378.15634	0.8
378.23398	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	378.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01780	0.4
57.03340	1.0
58.00472	1.6
59.01266	38.9
60.01597	0.7
66.51492	0.5
70.02864	0.8
71.01271	22.8
71.04913	9.6
71.32726	1.0
72.99184	1.6
73.02827	2.2
83.01278	1.8
85.02844	5.1
85.99977	0.4
86.02370	19.8
87.00787	1.5
89.02338	22.1
95.01272	2.2
99.00769	1.1
99.04414	1.4
101.02348	16.5
106.06490	0.5
108.08121	0.7
111.00822	0.4
113.02359	9.9
113.62211	0.4
119.03420	10.6
124.07600	3.3
126.04356	0.4
128.07092	4.1
129.05478	1.2
129.85168	0.4
140.71619	0.4
142.08635	1.6
143.03430	1.2
146.08199	0.6
147.06555	0.9
147.50916	0.5
149.04405	0.7
154.08740	0.7
159.02895	0.5
161.04448	2.0
162.46407	0.4
172.09749	15.3
173.10103	0.8
179.05577	0.6
183.06616	0.5
198.07689	0.9
208.47223	0.4
209.62669	0.4
215.09236	0.7
234.20291	0.4
263.11353	0.9
309.11957	5.2
334.15152	32.5
335.15485	2.6
378.14130	100.0
379.14517	9.0
379.19208	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20380	0.7
59.01258	2.8
70.74596	1.8
71.01271	1.2
73.02799	0.7
90.23492	0.6
91.05396	0.7
93.03352	1.2
94.57964	0.7
97.06490	3.2
103.05446	0.8
107.04915	2.5
108.02079	7.0
109.02840	2.1
117.03398	1.5
118.99847	0.6
119.04955	4.1
121.01978	0.8
121.02859	14.4
122.03671	3.1
127.11882	0.6
129.03380	1.5
130.62477	0.6
133.02872	1.1
134.03693	3.2
135.04445	27.2
136.01637	1.1
136.04909	0.7
136.35280	0.6
145.02893	6.2
146.03583	1.2
147.04453	17.3
148.05258	4.2
150.03166	0.8
151.03941	0.8
161.02321	1.7
162.03166	1.5
163.03949	31.6
164.04372	1.3
166.51404	0.7
173.02388	7.7
174.03110	1.0
177.09157	8.1
191.03464	100.0
192.04181	18.5
193.04607	0.9
205.05009	0.8
205.08698	9.8
217.08630	0.8
245.11859	0.7
257.08078	1.4
275.09280	1.0
285.04193	0.7
289.10880	11.5
290.11185	1.6
303.73477	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83520	3.6
55.95574	3.5
59.01271	6.8
66.74589	3.5
69.41018	19.7
69.41434	13.1
70.91557	3.6
71.01272	33.0
71.66290	3.8
72.99197	11.7
75.00758	90.2
79.94080	3.5
85.02839	4.2
88.94196	3.6
96.43156	4.4
105.96937	4.3
118.99790	30.3
121.02868	10.8
135.04419	8.0
139.03955	8.4
146.03709	3.9
147.04453	7.6
148.05270	6.2
149.06030	6.3
156.26431	4.5
159.04465	14.1
160.05249	4.3
161.06032	3.9
163.03912	9.4
172.05260	20.1
173.02513	4.9
173.06041	8.6
174.03162	14.2
175.03923	4.4
176.04720	6.6
177.09193	25.1
185.06093	4.2
186.06906	5.0
187.03992	12.2
187.07623	91.0
188.04771	16.1
188.07976	4.1
189.05518	7.0
189.09166	13.1
191.03468	42.7
192.04178	11.1
197.06055	7.3
198.06865	11.6
199.03970	11.3
201.05504	5.4
201.09201	6.4
203.10890	6.2
204.04250	5.3
205.08684	47.9
213.09219	21.7
215.07111	20.8
215.10750	4.7
217.08679	32.8
227.03525	11.7
227.07092	4.7
227.10765	33.7
228.04327	12.9
229.08607	9.6
231.06602	12.7
231.10225	31.5
243.10294	18.2
245.08203	16.4
245.11835	22.3
257.08197	100.0
258.08502	5.7
259.09607	4.4
261.11426	6.2
264.15378	3.9
271.09805	43.5
275.09320	8.8
289.07297	10.7
289.10910	49.6
315.08798	7.8
333.09830	4.6
373.63266	4.0
377.17642	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	377.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93488	0.6
59.01253	0.9
63.01042	0.6
64.20743	0.6
67.62752	0.5
69.44838	3.4
69.45259	1.7
71.01265	1.6
88.95709	0.6
91.05427	1.1
97.06508	1.3
105.03373	0.9
105.53414	0.5
107.04935	1.2
108.02072	10.2
117.03390	0.7
118.13907	0.7
119.04942	2.4
120.16763	0.6
121.02866	6.8
124.01583	1.8
129.03368	0.8
131.04991	0.6
133.02838	0.7
134.03654	2.9
135.04443	100.0
136.04762	4.8
145.02875	1.9
147.04434	11.5
148.05284	4.0
150.03127	1.7
151.03958	2.1
161.02344	1.2
163.03961	15.1
164.04286	0.9
173.02385	2.5
177.05515	0.8
177.09123	0.5
191.03477	52.3
192.04247	47.6
193.04590	1.8
205.08705	1.5
229.04405	0.6
275.09305	0.7
283.52737	0.5
289.10901	1.5
300.14114	0.6
301.80072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10345	0.6
71.01270	1.3
71.21609	0.7
71.33881	1.3
76.14812	0.6
91.05458	1.0
91.30469	0.7
97.06471	0.8
103.05384	0.6
105.03367	1.2
107.04935	1.2
108.02070	9.5
109.02887	0.8
112.65458	0.6
117.03353	0.9
119.04918	1.9
121.02890	7.1
122.03680	1.0
124.00107	0.7
124.01598	1.1
129.03391	1.5
133.02892	1.7
134.03670	3.0
134.82831	0.7
135.04454	100.0
136.04778	3.8
137.02386	1.1
145.02887	2.5
147.04453	13.9
148.05260	14.0
149.05638	1.2
150.03194	2.0
151.03929	3.2
161.02377	1.0
162.03210	1.1
163.03961	13.7
165.92302	0.7
169.16005	0.7
173.02394	3.0
174.03188	0.8
175.03816	0.7
177.05559	0.9
178.02740	0.8
190.09874	0.6
191.03479	56.0
192.04259	53.4
193.04602	3.1
205.08762	1.0
240.02464	0.7
275.09180	1.8
289.10992	1.0
293.16135	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34924	0.6
56.45195	0.7
62.07923	0.7
62.43744	0.6
63.94738	0.7
68.95829	0.6
68.99674	0.7
69.69637	4.3
71.01279	1.9
75.00779	0.8
76.70940	0.7
91.05413	1.4
93.03339	1.2
97.05856	0.7
97.06495	2.9
97.68456	0.6
98.20564	0.9
105.03362	0.8
107.04897	1.7
108.02072	22.6
109.02910	3.9
117.03362	1.8
119.04929	4.6
121.02861	10.8
124.01578	1.7
125.02358	0.8
129.03378	1.8
132.02177	0.7
133.02827	0.9
134.03664	3.3
135.04443	76.6
136.04745	3.3
145.02895	5.1
146.03722	0.7
147.04453	19.1
148.05257	9.3
150.03133	1.7
151.03917	2.3
160.01630	1.2
161.02386	1.9
162.03192	1.3
163.03955	25.9
164.04340	1.5
173.02377	5.5
177.09143	1.1
189.61226	0.7
191.03471	100.0
192.04222	41.2
193.04625	2.7
205.08632	4.0
225.21584	0.7
266.92786	0.7
275.09314	2.0
289.10742	4.0
344.61978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20299	0.2
56.38659	0.3
57.03337	4.1
58.00478	2.8
59.01264	11.0
62.46801	0.3
62.47200	0.2
69.03343	1.4
69.03658	0.2
70.85686	0.8
71.01276	2.9
71.04903	1.9
72.02048	0.6
72.99186	0.9
73.02837	20.9
74.03176	0.4
75.00769	2.1
81.03347	0.7
83.04905	1.3
84.39051	0.3
85.02846	5.0
85.06477	0.4
87.00765	0.4
87.04412	12.3
88.04697	0.3
89.02391	0.4
95.04906	0.9
97.06493	3.1
99.04421	0.6
99.08051	2.4
101.02348	0.3
101.05971	1.2
107.04923	0.4
107.08564	0.3
109.06499	2.6
111.08075	2.5
113.02361	0.7
113.05965	0.5
113.09634	2.8
120.99564	0.4
121.06495	0.8
121.10147	18.6
122.10461	1.0
123.04462	0.3
123.08064	3.9
124.05199	0.4
125.09638	4.8
127.07572	0.9
127.11189	1.2
129.09158	3.0
135.08061	0.9
137.05989	0.3
137.09647	7.9
138.06798	0.9
138.09966	0.4
139.07611	2.8
139.11212	1.1
141.09137	2.4
143.10732	4.9
144.11034	0.3
147.08101	0.8
149.09630	1.1
151.07610	0.4
151.11203	3.1
153.09155	5.8
153.12758	0.5
155.10718	4.0
157.12267	1.6
159.10260	2.5
160.03995	0.8
161.09628	1.1
163.11266	0.9
165.09166	4.4
166.09550	0.4
167.10693	2.8
169.12283	5.9
170.12712	0.8
171.10228	0.7
171.13864	1.0
173.11787	7.1
174.12160	0.3
175.03960	0.3
179.10745	4.4
180.13432	0.3
181.12321	1.5
183.13953	0.5
185.11769	1.2
187.13382	4.7
188.13712	0.5
197.11803	1.2
199.13391	3.0
201.11302	0.6
201.14906	0.8
213.11328	6.8
214.11703	0.8
215.12863	1.3
216.13646	1.7
217.00191	0.5
217.14447	74.6
218.14767	4.0
241.08279	1.0
245.17645	0.7
287.09540	0.4
287.22668	0.4
313.23938	0.8
315.25439	5.2
321.24338	0.4
329.23132	0.4
331.21329	0.7
333.22849	0.6
339.25653	0.4
345.26563	1.4
357.26538	3.1
373.25986	2.7
375.27606	100.0
376.27927	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	375.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	26.3
71.47833	1.4
71.48161	0.8
95.04920	34.9
96.05243	1.5
99.92493	1.5
105.77743	0.8
163.30164	0.8
174.99199	1.2
183.78682	1.1
184.87418	1.0
193.38905	0.9
195.13869	11.1
199.08287	0.9
217.00299	2.8
223.13396	9.4
224.13832	1.0
228.13670	1.0
246.10170	1.3
246.12421	12.6
275.20227	5.3
278.11398	80.4
279.11734	5.1
293.21283	100.0
294.21567	9.8
306.13342	1.1
315.19467	19.5
316.19763	2.0
332.06781	0.9
338.12283	7.6
339.12357	1.1
375.21524	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	375.2159
Annotation	Maoecrystal G
Peak:m/z	Relative Intensity
59.01266	49.8
71.47761	1.6
71.69244	0.9
73.53119	1.0
95.04922	4.6
99.92470	1.2
109.06493	1.2
113.02287	1.0
117.00379	1.1
121.10159	26.3
122.10408	1.6
125.09667	2.5
127.11196	1.6
149.09633	1.7
159.01466	1.5
171.10220	62.8
172.10542	2.9
172.70047	1.0
174.99156	2.3
185.11882	1.5
197.11780	1.1
207.10059	2.4
217.00333	9.3
218.00635	1.1
231.21120	5.1
248.95636	1.2
253.09378	2.4
275.20218	100.0
276.20547	9.8
278.11435	10.8
293.21295	95.3
294.21603	10.4
297.18765	1.7
313.18051	1.1
315.19458	49.2
316.19867	3.9
329.17398	1.9
359.18692	8.3
371.30844	1.4
375.21439	48.7
376.21716	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	375.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.61525	0.3
59.01241	0.7
65.43797	0.3
74.98956	2.4
80.61272	0.3
93.00018	2.1
99.92575	0.4
109.85277	0.4
120.18269	0.4
149.00890	1.3
159.08405	11.3
160.08707	0.8
161.06354	2.9
184.81586	0.4
192.98199	0.4
197.78574	0.4
209.01280	2.4
217.07144	1.1
225.00732	0.5
261.04507	0.6
275.06128	0.9
277.07483	2.4
289.07666	1.9
291.09149	91.3
292.09256	13.3
309.10339	2.1
343.12482	0.6
357.14066	2.3
359.15408	100.0
360.15576	18.5
360.20203	0.5
375.18549	9.7
376.18741	1.9
377.16571	1.3
378.16537	0.4
386.32770	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01255	4.3
64.90963	1.2
71.57198	2.0
91.70179	1.3
100.63673	1.3
117.01701	1.5
143.29805	1.4
159.08397	11.5
161.06317	2.6
275.05997	1.7
277.07547	2.2
289.07608	1.8
291.09158	98.4
292.09293	11.2
309.10095	2.2
357.13885	2.9
359.15411	100.0
360.15646	16.3
375.18390	10.2
376.18912	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	375.1794
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	27.5
63.69453	0.6
69.50185	0.6
71.01270	10.6
71.01603	0.7
80.91583	1.0
83.55270	0.6
89.02378	0.6
104.92924	0.6
125.92611	0.7
127.07565	1.1
151.07603	1.4
161.02504	0.7
164.08427	0.7
174.99254	5.2
177.09189	4.2
190.10049	2.2
192.11540	8.3
205.12332	2.7
207.13872	2.0
208.19019	0.6
217.00296	18.2
218.00586	1.2
218.09477	2.4
220.14679	41.9
221.15460	100.0
222.15826	8.3
235.13434	1.9
236.10553	95.7
237.10959	8.2
264.08636	0.9
275.16653	0.9
285.04248	3.2
293.17664	51.6
294.17978	6.5
318.09732	4.5
319.09964	0.9
321.15619	1.5
358.08771	0.8
374.98828	0.7
375.17935	13.5
375.25433	0.9
376.18091	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	375.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17241	1.4
54.20010	1.8
59.01266	19.7
60.13609	1.4
66.30819	1.6
67.61094	1.5
70.32124	4.9
71.01281	9.1
72.99198	74.9
73.02813	2.3
75.00765	4.5
85.02839	3.5
89.02328	6.0
90.98483	1.6
91.05431	9.0
93.03358	47.8
95.01299	1.8
95.04935	7.8
97.02869	4.7
98.00014	4.4
99.00748	2.2
101.02339	5.0
105.03376	6.6
107.04930	5.3
108.02090	4.0
109.02863	2.8
113.02357	5.1
119.04888	2.1
121.02872	100.0
122.03210	2.9
123.04437	56.8
133.02881	45.1
134.03288	1.8
135.03419	3.6
135.04453	73.2
136.04767	4.6
148.03882	2.0
149.02377	28.5
150.03012	1.8
151.03947	93.7
152.04300	3.0
152.07143	2.1
161.02365	3.1
163.03964	2.8
169.08588	3.7
175.09694	7.3
177.01886	4.3
195.02983	3.1
213.04070	1.8
213.07646	4.8
259.08041	1.8
337.34146	1.6
341.08896	7.1
357.08173	2.2
358.09201	1.8
375.09308	14.8
376.16147	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	375.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	2.1
57.03318	2.8
58.00459	2.4
59.01266	74.8
69.50995	10.7
69.51391	3.5
71.01268	44.9
72.99191	8.1
73.02834	11.2
75.00764	17.8
76.64771	1.6
83.01282	8.7
85.02833	14.7
87.00753	6.8
89.01818	2.4
89.02339	28.1
95.01281	3.0
96.95924	1.9
96.97701	1.6
99.00747	5.5
101.02348	34.8
113.01754	1.8
113.02363	18.8
116.59277	1.7
119.03436	13.7
125.06077	1.5
126.13647	1.8
143.03412	4.1
149.02390	2.7
150.03136	1.7
152.07045	2.1
153.07451	2.3
153.09138	2.0
159.06607	1.8
161.04509	9.1
165.05435	2.1
177.09129	8.9
179.05539	4.7
184.67070	1.6
195.10220	2.9
197.01929	3.0
212.08279	4.5
213.01549	3.0
213.11275	4.3
232.78798	1.6
236.13457	1.8
241.07291	6.8
242.26556	1.5
255.08878	20.9
297.11414	2.4
327.12442	5.2
357.15579	22.1
358.15659	2.4
375.06992	12.1
375.16611	100.0
376.16687	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	373.2603
Annotation	oscr#24
Peak:m/z	Relative Intensity
55.01764	0.2
57.03334	2.2
58.00443	0.1
59.01260	4.9
61.98714	0.2
65.91846	0.1
69.03340	0.7
69.90747	0.7
71.01263	2.4
71.04904	0.4
72.97421	0.2
72.99185	0.6
73.02837	0.9
75.00761	0.6
81.03337	0.2
83.01268	0.4
83.04899	0.2
85.02843	1.6
87.00761	0.3
87.04387	0.3
89.02332	1.0
95.01292	0.2
95.04937	0.4
96.95881	0.2
97.06478	1.4
99.00770	0.4
99.08045	0.2
101.02344	1.8
102.98504	0.2
104.98077	0.3
107.01285	0.1
108.19823	0.1
109.02832	0.2
109.06488	0.2
111.08059	0.4
113.02359	1.2
113.09631	0.8
119.03431	0.3
121.06525	0.2
123.08070	2.4
125.02336	0.2
125.09606	0.7
127.07548	0.2
127.11187	0.5
135.04465	0.2
137.09641	0.6
139.07567	0.2
139.11208	1.4
141.09158	0.7
141.12758	0.3
151.00291	0.2
151.11154	0.2
153.01862	0.2
155.10712	0.6
157.12296	0.7
159.02910	0.2
161.04514	0.9
163.11179	0.2
167.10696	0.3
169.12294	0.5
171.10204	2.2
173.06104	0.1
185.11790	9.5
186.12131	0.6
199.13351	0.2
201.11426	0.2
201.14761	0.2
207.13777	0.1
209.11714	0.2
211.13406	0.2
213.11353	0.3
214.12070	0.9
215.12814	0.6
216.13599	0.2
229.14536	0.2
231.06523	0.2
239.09656	0.2
247.58165	0.2
257.77420	0.1
265.21823	0.2
267.19733	0.3
269.09753	0.2
269.13922	0.2
281.05008	0.2
297.79752	0.1
325.23914	0.3
327.21829	1.0
329.14059	0.3
329.23309	0.2
343.24933	1.4
353.23096	0.2
355.24979	1.8
371.24445	1.7
373.25998	100.0
374.26361	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	373.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03340	7.1
57.95841	0.3
58.87614	0.3
59.01265	32.4
60.01604	0.6
68.07314	0.3
71.04417	0.5
71.04912	2.1
71.16173	0.3
72.99192	0.3
79.95632	0.4
83.04897	0.3
97.06494	2.1
99.08047	2.1
111.08057	0.6
113.09634	3.7
113.98666	0.3
123.08086	1.7
125.09654	1.2
127.11217	1.6
137.09717	0.7
139.11195	0.7
141.09145	1.2
149.22112	0.3
155.10764	0.7
155.14409	0.4
157.12288	14.2
158.12679	0.4
165.12730	0.3
167.14343	0.7
167.40736	0.4
169.12289	0.3
183.13873	0.9
185.15433	2.2
186.15916	0.5
198.49165	0.3
209.19107	1.0
225.18588	0.7
227.20178	0.8
251.20146	1.9
253.21758	0.4
265.21759	2.3
265.48291	0.4
267.23358	1.2
269.21408	0.5
269.24826	0.5
276.09985	0.9
277.21716	0.5
285.24420	6.7
285.27325	0.6
286.24820	1.1
295.23291	0.4
313.23938	18.9
314.24310	2.2
331.24963	100.0
332.25308	11.6
373.26019	51.1
374.26324	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	373.2602
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	13.0
58.03642	0.4
59.01264	36.6
69.03329	1.0
71.01254	0.5
71.59478	0.6
72.99187	0.5
75.00753	0.8
79.95620	0.8
80.96335	0.4
83.01296	0.5
85.06000	0.6
85.06477	8.6
96.95917	0.5
97.06466	0.7
99.06851	0.4
109.02856	0.6
125.09618	0.7
143.10709	9.8
150.70506	0.4
155.10736	0.6
155.14297	1.2
167.14363	3.8
183.12419	0.5
183.13887	6.0
189.09227	0.5
209.19060	2.6
211.17010	0.6
231.10445	0.4
251.20172	2.0
253.21706	2.7
254.22134	0.5
267.23325	0.9
269.21323	1.4
269.24902	2.5
276.10147	0.4
285.21341	0.7
285.24432	4.5
313.23917	16.9
314.24265	1.9
331.24960	100.0
332.21353	0.8
332.25333	13.1
373.16461	1.3
373.26010	55.4
374.26343	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	373.2602
Annotation	oscr#24
Peak:m/z	Relative Intensity
57.03334	2.4
59.01263	4.2
61.98717	0.4
65.26949	0.2
69.03329	0.6
70.08304	0.2
71.01266	0.9
71.04904	0.5
73.02818	0.7
75.00763	0.6
83.04916	0.3
85.02847	0.2
85.36871	0.2
87.04423	0.3
87.82928	0.2
89.02341	0.5
95.04912	0.4
97.06487	0.5
98.19788	0.5
101.02352	0.5
111.08035	0.7
113.02357	0.3
123.08060	1.2
125.09646	2.9
127.11222	2.4
129.01927	0.2
137.09639	1.7
141.09138	0.5
143.10707	0.5
153.01823	0.2
153.09163	0.9
153.12743	0.4
155.10695	1.9
169.12297	0.6
171.10228	9.4
172.05231	0.2
172.10565	0.7
173.06038	0.5
177.14081	0.2
183.13821	0.2
185.11749	0.6
187.07596	0.2
190.09645	0.2
195.06728	0.3
200.10472	0.3
201.14874	0.4
213.09398	0.2
214.02823	0.3
215.07042	0.3
217.14467	0.3
229.14485	0.8
230.15216	0.9
231.06688	0.4
232.07249	0.3
243.06564	0.5
275.09314	0.3
276.10049	0.4
327.22006	0.4
329.13895	0.8
343.24811	0.7
355.24896	2.0
371.24567	1.3
373.26001	100.0
374.26361	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	373.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43649	0.2
57.03333	2.2
59.00962	0.3
59.01265	5.7
60.01604	0.3
61.98281	0.2
61.98716	0.2
69.03332	0.6
71.01264	1.5
71.04888	0.5
71.57594	0.4
72.99186	0.4
73.02828	1.8
75.00757	0.6
83.04882	0.3
85.02831	1.0
87.04401	0.5
89.02365	0.4
95.04904	0.3
96.95943	0.2
97.06495	0.8
99.00783	0.2
99.08047	0.3
101.02344	0.8
109.02848	0.2
111.08069	0.6
113.02343	0.5
113.09651	0.4
115.52839	0.2
119.03371	0.2
119.04900	0.2
121.10151	0.2
123.08103	1.5
125.09638	2.9
127.11219	1.8
130.08635	0.2
137.09659	1.8
139.07605	0.3
139.11185	0.5
141.09126	0.7
141.12785	0.2
143.10686	0.5
148.05165	0.4
149.09618	0.2
150.03180	0.2
151.11205	0.4
153.01883	0.5
153.09163	0.7
153.12773	0.5
155.10716	1.3
157.12340	0.2
161.04442	0.3
162.89223	0.6
167.10728	0.3
169.12268	0.6
171.10219	8.1
172.10535	0.5
173.06009	0.2
173.11792	0.2
176.66382	0.2
185.10167	0.3
185.11789	2.7
186.12198	0.3
187.13422	0.4
197.11827	0.4
199.13306	0.4
201.14806	0.3
203.12776	0.2
207.13876	0.2
215.12849	0.7
216.13651	0.6
217.14342	0.4
225.15031	0.2
229.14445	0.7
230.15207	0.4
231.06741	0.2
237.03848	0.2
243.16179	0.4
245.17490	0.3
285.20816	0.3
313.24005	0.5
325.24078	0.4
327.21838	0.5
327.25378	0.2
329.14157	0.4
331.17325	0.2
337.23932	0.5
343.24933	0.8
355.24930	2.4
356.25287	0.3
371.24405	1.2
373.26004	100.0
374.18738	0.6
374.26343	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	373.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59777	0.8
57.03329	1.5
59.01266	22.0
71.36003	1.3
93.03384	1.3
120.15427	0.9
121.10141	15.8
123.08067	1.4
125.09632	5.4
126.86525	0.9
145.88155	0.9
147.08086	1.6
150.72583	0.8
152.77626	0.9
171.10014	1.0
185.11774	10.4
197.11815	3.6
207.10022	3.6
209.11786	2.4
227.18089	1.1
236.54791	1.0
245.19209	5.9
291.19714	63.8
292.20117	6.7
311.16296	1.1
313.17914	100.0
314.18280	11.7
373.19733	1.5
373.26096	0.9
374.19498	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	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90617	1.5
59.01261	11.9
61.98714	100.0
62.55638	1.4
74.17343	1.4
98.20574	2.8
121.02892	1.8
136.54068	1.4
234.81050	1.4
362.94058	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	15.1
64.86045	0.4
69.28516	1.6
69.28940	2.6
71.64416	0.4
85.39352	0.4
89.69936	0.4
93.03329	2.8
97.06485	0.6
109.18545	0.4
119.04870	0.4
119.60552	0.4
137.65350	0.4
147.07999	0.4
148.08841	1.4
150.10374	0.6
151.11139	0.7
163.11217	1.0
165.12798	24.2
166.13083	1.1
166.70421	0.4
175.11293	0.4
176.11983	0.7
191.14392	0.7
217.16019	0.6
228.39702	0.4
244.10825	3.4
247.20679	11.5
248.20932	1.2
273.18677	6.7
274.18854	0.5
291.19724	100.0
292.20062	10.9
313.17917	15.1
314.18149	1.6
328.22348	0.4
373.15384	0.8
373.20044	16.5
374.20374	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	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	11.1
61.98715	100.0
75.00756	2.1
76.61213	1.4
90.82052	1.3
90.83905	1.3
121.02866	1.7
123.69776	1.3
137.97090	1.3
151.03841	1.6
161.77319	1.4
171.09171	1.5
200.03267	1.7
372.18021	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	371.2446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	57.6
60.01604	1.0
60.98543	0.8
61.98695	1.5
65.59034	0.7
66.94683	0.7
71.04891	3.7
71.50415	0.7
71.57159	0.9
87.00729	1.1
100.52122	0.7
106.68342	0.7
111.08059	1.7
121.02864	1.3
134.65410	0.7
135.19209	0.7
141.12782	16.7
141.57523	0.7
153.12764	1.1
199.12466	0.7
201.05592	1.0
211.20599	4.5
221.19070	1.7
223.20653	21.3
224.20967	1.8
239.20168	21.4
240.20538	2.0
265.77380	0.9
267.19708	25.2
268.20001	3.0
285.20758	100.0
286.21091	9.6
311.22266	1.2
327.21820	16.9
328.22055	2.3
329.23401	30.8
330.23663	3.1
345.85138	0.8
371.15100	1.5
371.24429	24.7
372.24918	3.5
386.36655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2446
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
57.03323	0.8
59.00994	0.3
59.01266	3.2
64.99100	0.2
66.25368	0.2
69.39999	1.9
71.01254	0.6
71.04897	0.5
72.99193	0.2
73.02837	0.8
75.00761	0.4
83.04914	0.2
83.15866	0.3
85.02849	0.3
87.00763	0.6
87.04388	0.9
97.06477	2.0
99.08009	0.2
101.02337	0.2
101.06023	0.3
107.40305	0.2
109.06496	0.2
111.08054	0.3
113.06007	0.4
123.08062	0.9
125.09637	2.4
127.11164	0.3
137.09650	0.8
139.11237	1.6
141.09148	0.3
141.12788	0.9
143.10693	0.5
151.11235	0.4
153.09119	0.6
155.10703	1.0
157.12198	0.4
160.01543	0.5
167.10757	0.3
169.12254	0.5
171.10225	6.7
172.05281	0.4
172.10559	0.2
174.03163	0.3
185.10207	0.4
185.11795	6.4
186.06813	0.3
186.12094	0.5
187.07523	0.4
197.06017	0.2
197.11810	0.3
199.03947	0.2
200.10495	0.3
201.05565	0.3
211.07747	0.3
213.11189	0.5
214.06386	0.4
214.12091	0.8
215.07077	0.4
215.12906	1.5
215.17728	0.2
227.03583	0.2
227.12860	0.4
228.13553	0.5
229.08646	0.4
230.09465	0.3
243.16054	1.5
255.16139	0.4
267.97565	0.3
274.08539	0.3
283.13498	0.4
309.15027	1.0
311.22357	0.9
323.22311	0.7
327.12613	0.2
327.16101	0.8
328.16266	0.3
329.23383	0.4
341.23389	7.6
342.23685	1.0
343.15570	0.2
353.14127	0.2
353.23337	1.5
354.23795	0.3
368.52798	0.2
369.22815	1.0
371.14816	2.8
371.24438	100.0
372.24792	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	371.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15333	0.2
53.40186	0.2
57.03333	1.0
59.01263	4.5
64.84326	0.2
69.91681	0.2
71.01276	1.4
71.04919	0.6
71.56232	0.3
72.99191	0.4
73.02838	0.8
73.76083	0.2
74.94630	0.2
75.00758	0.8
85.02840	0.8
85.06493	0.2
87.00737	0.4
87.04408	0.8
87.06706	0.2
89.02332	0.8
96.95903	0.3
97.06489	2.8
99.08078	0.4
101.02313	0.6
109.02850	0.3
113.02344	0.3
116.06512	0.2
116.86626	0.2
119.03433	0.2
119.46621	0.2
121.10100	0.2
123.08085	0.6
125.09645	1.5
127.11249	0.4
134.75931	0.2
135.04427	0.6
137.09642	0.8
139.11226	2.1
141.12762	0.4
151.11160	0.2
155.10696	1.2
157.12273	1.2
161.04504	0.3
163.03909	0.4
167.10727	0.4
171.10168	0.4
172.05298	0.3
185.11792	14.5
186.12151	0.8
191.03484	1.7
192.04132	0.3
200.04663	0.3
211.03821	0.2
211.07553	0.4
213.11270	1.2
214.12117	2.8
215.07079	0.3
215.12822	1.2
225.05632	0.2
227.03479	0.2
239.20222	0.3
241.14516	0.7
243.16037	2.9
244.16479	0.2
255.16132	0.5
274.08640	0.3
281.15381	0.4
283.13513	0.7
293.21161	0.3
297.12485	0.3
299.13077	0.3
305.21249	0.4
309.15027	1.1
311.22305	0.9
317.21231	0.3
321.84808	0.3
323.22171	0.3
327.12714	0.2
327.16125	1.3
327.25497	0.5
335.22635	0.3
341.23343	6.3
342.23880	0.8
353.14011	1.0
353.23422	1.7
369.22882	0.9
371.14899	3.6
371.24442	100.0
372.15228	0.4
372.24777	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	371.2447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04173	0.2
50.40730	0.2
54.70145	0.2
55.82368	0.2
56.29673	0.2
57.03344	1.2
58.00483	0.4
59.01265	5.1
69.03333	0.5
70.96776	0.6
71.01264	0.6
71.04898	0.4
73.02836	1.0
75.00761	0.4
78.05376	0.2
83.04935	0.5
85.02852	0.6
87.04401	1.0
95.04912	0.3
96.95901	0.3
97.06506	1.6
99.08048	0.4
101.02325	0.4
102.98469	0.4
111.08073	0.3
113.05986	0.4
123.08066	1.5
124.05138	0.2
125.09657	3.2
127.11214	0.5
137.09630	0.8
139.07588	0.3
139.11221	1.5
141.09125	0.4
141.12776	1.0
143.10715	0.6
151.11214	0.7
153.09117	0.6
155.10722	0.6
157.12309	0.5
159.04401	0.3
163.03923	0.4
167.10678	0.3
169.12296	0.6
171.10222	7.5
172.05301	0.6
172.10551	0.3
173.05888	0.2
179.14452	0.2
183.04514	0.2
185.11787	4.6
186.06845	0.3
191.03484	0.7
199.04015	0.7
200.04750	0.4
200.10486	0.5
213.05432	0.2
213.11259	0.7
214.12054	1.1
215.12840	1.2
223.13358	0.6
227.03535	2.3
227.12814	0.4
228.04330	1.5
228.13707	0.8
241.14558	0.4
243.16100	1.1
283.13440	3.0
284.13815	0.3
301.14536	0.7
309.11563	0.2
309.14813	1.0
311.13000	0.7
311.22308	1.3
323.22696	0.5
327.16098	0.5
327.25266	0.4
329.13828	0.3
335.22473	0.4
341.23422	6.9
342.23874	1.0
353.14044	1.3
353.23413	2.1
369.22885	0.8
371.15051	7.6
371.24442	100.0
372.15393	0.9
372.24805	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	371.2445
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38969	0.3
57.03333	0.6
59.01262	5.2
69.03326	0.4
71.01258	0.5
71.59174	0.3
71.59530	0.4
73.02826	0.8
79.05437	0.4
80.22079	0.3
83.04906	0.4
85.02850	0.9
87.00755	0.4
88.93856	0.3
95.04948	0.6
97.06483	3.0
103.52465	0.3
113.91259	0.3
121.02872	0.5
123.08035	0.9
125.09646	1.5
127.05022	0.4
132.02069	0.5
137.09631	0.8
137.25121	0.3
139.11182	2.1
155.10696	1.0
157.12276	1.4
160.01555	0.6
167.10614	0.4
172.05286	0.4
185.11792	15.2
186.12103	0.8
187.07515	0.5
197.11755	0.5
200.04745	0.4
205.17682	0.4
213.11319	1.0
214.12091	2.4
215.12833	1.8
229.08742	0.6
241.14479	0.6
243.16045	3.2
253.95110	0.3
255.16084	0.7
274.08377	0.4
309.14969	0.8
311.22375	1.2
327.16202	0.7
329.23389	0.4
339.21652	0.4
341.23367	7.5
342.23846	0.9
353.23410	0.9
369.22809	0.7
371.24438	100.0
372.24799	13.4
372.29645	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45012	0.3
59.01264	3.7
63.79252	0.2
70.97317	0.4
70.97665	0.5
71.01271	1.0
71.04905	0.3
72.99212	0.4
73.02841	0.6
75.00737	0.6
76.36645	0.3
87.00775	0.7
88.63063	0.3
96.95931	0.3
101.02333	0.5
109.02853	1.9
112.98650	0.3
113.02348	0.7
121.02757	0.5
132.02103	0.4
135.04442	0.3
136.01608	0.6
138.13039	0.3
145.02910	0.6
151.03935	1.0
159.04393	0.3
160.01573	0.9
160.05208	1.4
161.02296	0.3
167.10719	100.0
168.11049	6.0
171.10080	0.3
172.05177	0.4
175.07581	1.1
185.11745	0.5
191.03424	0.6
200.04721	0.3
201.05385	0.4
211.07710	0.4
227.03612	0.4
229.08778	0.5
230.09500	0.5
239.07170	0.5
239.16537	2.2
261.58255	0.3
267.06641	2.2
274.08658	0.4
282.09055	2.2
283.13498	0.4
297.11407	1.8
298.12033	0.3
309.14899	0.5
325.14478	0.7
327.12405	3.1
327.16068	0.9
328.12610	0.3
341.09552	0.4
343.15396	0.5
371.15094	2.8
371.24387	4.3
372.15543	0.5
372.24841	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83311	0.4
55.51963	0.4
56.56449	0.3
59.01265	100.0
60.01608	1.2
62.13614	0.4
62.98806	0.5
69.66050	1.0
69.66479	2.0
71.01276	0.9
74.09885	0.4
75.00779	1.4
79.85758	0.4
85.02837	0.6
89.02379	0.5
90.76908	0.4
98.20550	0.8
101.02355	0.9
113.02389	0.6
130.08661	0.6
163.30934	0.4
166.02632	1.0
261.79358	0.4
278.90939	0.4
311.15189	0.4
329.16168	0.6
345.04248	0.4
371.21155	0.6
372.21585	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1356
Annotation	Macrosphelide J
Peak:m/z	Relative Intensity
58.00464	2.7
59.01265	84.3
63.08377	1.6
69.03351	2.0
69.59936	12.9
71.01270	46.2
72.99183	6.1
73.02811	2.9
75.00751	3.4
83.01283	3.0
85.02841	11.5
85.40543	1.8
87.00764	2.3
89.02335	51.3
95.01274	3.6
101.02346	35.5
107.58601	1.7
111.20320	2.2
113.02351	16.4
119.03404	22.8
131.03456	2.2
138.05524	2.1
143.03473	2.7
147.08078	2.3
148.07587	9.5
150.03145	2.7
165.05492	5.6
166.02719	2.9
167.03430	2.4
179.05537	2.9
209.04420	1.9
209.08208	2.0
221.04364	2.1
277.65945	2.0
285.04071	2.4
335.69400	2.0
371.13516	100.0
372.13885	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64514	3.6
56.54760	3.6
57.03119	2.8
57.03337	28.5
57.31738	3.4
59.01263	91.0
69.03344	30.0
71.01263	17.5
71.04897	18.5
71.36742	8.7
72.99211	18.0
73.02825	6.7
73.10509	3.8
75.00761	43.4
76.44324	3.5
83.57807	3.5
85.02826	7.7
87.00780	4.3
87.04414	7.3
89.02348	6.2
101.02332	11.8
102.98488	16.8
109.06487	7.0
113.02332	5.6
119.03368	5.9
123.07987	4.1
165.12799	4.3
179.14384	52.8
201.75348	3.6
205.12277	5.1
209.11864	6.4
209.15350	4.8
223.13409	100.0
224.13660	4.4
267.12366	29.0
285.13513	52.9
311.12766	5.3
327.14627	22.6
371.24469	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56445	1.3
57.03336	9.5
57.33942	1.4
59.01265	100.0
60.01585	1.3
60.23476	1.1
60.45924	1.0
62.49237	1.3
69.03350	7.8
69.30072	9.2
69.30487	2.4
71.01272	1.8
71.04915	3.8
72.99201	5.0
73.02832	1.5
75.00764	12.4
97.06495	1.2
98.19880	2.6
99.04415	1.3
101.02418	1.2
109.06504	1.8
127.49198	1.0
139.93623	1.2
151.00365	1.1
179.14383	15.4
180.14716	1.4
199.13324	1.9
207.13882	5.8
209.12027	1.3
223.13396	34.5
224.13731	2.2
251.12804	1.3
267.12457	8.7
267.15283	1.3
285.13483	15.7
286.13794	1.5
327.14517	5.8
371.15268	1.6
371.24585	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	369.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
61.98717	4.7
71.01270	30.7
71.32781	2.7
71.55439	3.0
71.55792	3.1
73.02835	3.8
89.02403	3.9
97.37855	2.6
101.02348	5.4
118.53471	2.6
133.04990	47.7
161.04500	6.1
187.06053	13.3
211.81746	2.8
249.09882	8.3
250.10339	2.6
277.09314	28.9
342.43549	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	370.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	10.1
59.01560	1.7
61.29137	1.0
61.98714	100.0
62.80601	1.1
66.48856	0.9
69.92815	5.9
71.01290	0.9
72.90575	1.0
75.00761	1.2
80.64708	1.0
84.03285	0.9
87.36075	1.1
92.82590	1.0
113.47948	1.0
121.02861	1.7
138.93007	1.1
162.50323	1.0
191.03555	1.6
265.63461	1.1
285.26443	1.1
371.24390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
70.30147	32.7
71.04900	14.3
72.99197	24.8
75.00760	26.9
85.29324	6.4
98.80378	8.0
99.04443	13.1
107.08575	30.8
109.03401	7.3
112.22618	6.8
117.36916	8.3
117.82674	7.4
151.07588	32.1
175.11305	18.9
177.12805	14.9
180.96919	7.3
196.49164	6.8
221.11835	72.0
239.12930	36.6
239.56740	8.3
265.10870	9.5
283.11850	37.5
325.13004	15.6
369.23212	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23826	4.9
57.03312	8.1
59.01264	100.0
60.45219	4.9
62.10522	4.6
69.03362	5.3
69.74340	28.8
69.74764	7.6
71.04903	12.9
72.99197	18.1
75.00767	32.2
79.37250	4.7
82.38054	4.9
105.85151	5.0
107.08575	20.5
109.06510	11.2
121.35990	5.2
141.33434	6.3
143.68207	6.3
151.07582	15.5
176.11624	6.2
221.11850	82.6
239.12938	11.3
265.10861	8.2
283.11926	23.3
325.12866	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	369.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03349	7.2
59.01262	100.0
69.03362	5.5
70.49344	9.7
71.04906	11.9
72.99195	24.0
73.02834	3.6
75.00753	30.8
79.96590	3.0
83.04911	6.2
87.04401	4.8
90.96921	2.8
97.06458	4.9
98.19814	3.9
99.04416	8.7
107.08559	26.2
140.21553	3.1
151.07620	28.8
175.11229	14.6
177.12779	10.2
178.47150	3.3
193.12236	3.2
203.10707	4.4
221.11821	79.6
239.12894	31.9
265.10757	23.1
282.24667	4.0
283.11981	41.0
284.12399	3.6
310.23837	5.3
325.12936	13.9
328.24991	26.9
363.94458	3.9
370.25986	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	100.0
60.84272	7.4
71.33601	18.9
72.99196	26.3
75.00772	26.6
107.08576	23.8
122.10096	7.2
150.17938	8.4
151.07588	27.7
167.56831	8.7
177.12886	13.6
221.11815	41.3
231.70313	7.9
239.12926	26.0
265.10767	15.7
283.12018	38.5
290.01230	9.1
317.17987	7.8
366.64902	8.1
369.22888	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	369.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03328	4.5
58.25628	2.7
59.01266	100.0
66.24506	3.8
69.34017	29.1
71.01283	21.1
71.04915	11.0
72.99191	22.7
73.02826	19.5
75.00763	88.5
75.02695	2.7
83.01270	4.3
83.04914	4.0
88.28446	2.6
89.02328	12.9
99.04436	5.7
101.02334	23.1
107.08578	17.8
109.02885	7.0
109.06555	4.6
113.02341	7.2
114.05534	4.8
117.01868	14.0
119.03419	3.8
135.04454	4.8
136.01563	4.3
151.03952	6.7
151.07585	15.3
161.04492	4.8
175.11252	4.9
179.78601	3.2
221.11815	39.5
222.12189	4.2
239.12950	23.8
265.10831	13.3
281.13821	3.5
283.11835	30.0
311.11349	5.8
325.12927	8.5
338.87650	4.4
351.10977	6.0
369.23065	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	369.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87382	1.3
57.03322	5.7
59.01264	100.0
71.01254	8.1
71.04906	12.2
71.59086	2.2
72.99195	32.3
73.02834	4.6
75.00763	35.7
76.90151	1.3
83.04902	6.7
84.71726	1.3
87.04410	3.5
95.04972	1.7
96.95879	1.4
97.06472	3.6
99.04418	9.0
102.98499	2.3
103.00270	1.9
107.08566	26.3
108.08878	1.9
109.06496	3.8
113.02336	1.9
117.01829	4.7
123.19435	1.3
125.06009	2.2
133.06477	1.7
135.04446	1.3
147.04327	1.7
151.07585	32.9
152.07999	1.6
159.11667	4.0
163.11258	2.0
175.11211	6.1
177.09142	2.1
177.12805	4.7
193.01442	2.2
207.10214	3.6
221.11826	41.3
222.12262	2.1
237.11269	1.9
239.12886	36.8
240.13333	2.6
265.10864	38.2
266.11047	3.3
281.14032	3.3
283.11908	63.3
284.12326	4.8
325.12994	20.1
326.13614	3.0
369.13843	2.1
369.18875	2.1
369.22879	5.6
372.55704	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	369.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79942	2.2
52.02116	2.0
57.03328	2.1
58.00500	1.9
59.01262	100.0
69.33865	4.9
69.34283	17.2
71.01276	6.5
71.04906	9.8
72.99204	20.2
73.02832	5.8
75.00758	36.8
78.58658	1.9
83.04916	3.5
87.00816	2.0
89.02336	4.5
97.06511	2.1
99.04427	2.6
101.02348	2.5
105.97527	2.1
107.08562	14.0
109.06512	3.0
117.01830	4.5
151.07564	9.8
175.11275	4.5
177.12849	4.7
193.01401	4.1
221.11821	69.7
222.12173	7.5
239.12910	50.4
240.13130	6.1
265.10770	5.5
277.92642	2.1
281.14130	12.2
282.14200	2.5
283.11960	14.3
296.29770	2.0
311.11469	2.5
325.12857	9.2
326.23334	9.1
327.23679	15.8
364.21848	2.3
369.24362	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	367.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19385	0.6
59.01265	100.0
60.01608	0.8
69.70467	2.4
69.70876	1.6
71.01273	7.3
72.99194	0.6
73.02860	1.3
74.08838	0.7
75.00771	2.7
75.22500	0.6
83.01276	0.9
85.02860	3.0
87.00791	1.3
89.02353	2.6
95.01343	0.7
98.19716	0.6
98.20333	1.8
99.00793	1.3
101.02346	7.2
113.02350	2.5
119.03482	0.9
119.04977	1.6
131.03456	1.2
134.20773	0.6
161.04515	3.1
162.05605	2.0
163.03970	1.4
198.18510	0.5
206.04622	1.8
222.00407	0.6
235.11885	5.5
265.12970	7.5
266.13428	0.6
307.14047	2.8
341.92200	0.6
367.16077	5.0
376.08752	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43447	0.3
55.01770	0.7
57.03342	0.7
59.01264	100.0
60.01610	1.1
61.98715	0.9
67.39859	0.3
69.38952	3.0
71.01269	12.5
72.99216	0.8
73.02837	4.2
75.00773	2.6
75.22966	0.3
83.01291	1.3
83.04932	0.5
85.02837	5.4
87.00809	0.8
89.02334	3.2
95.01313	0.8
96.95921	0.5
98.20599	0.6
99.00791	2.3
101.02345	10.6
112.78757	0.4
113.02354	5.4
119.03448	0.7
125.02336	0.5
137.02351	0.5
143.03461	1.2
145.12347	0.5
153.12863	0.4
159.02974	1.7
161.04498	15.9
164.00407	0.4
175.11208	0.6
179.43016	0.4
205.03503	0.6
242.13214	0.4
307.17682	34.4
308.18005	3.2
350.67303	0.4
365.71622	0.5
366.62589	0.5
367.19885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56364	0.2
59.01253	0.2
70.03923	0.5
70.04335	0.4
95.43992	0.2
116.04975	3.0
117.05314	0.2
132.04501	0.3
159.03177	0.4
160.03984	100.0
161.04343	4.9
186.32787	0.1
190.05457	0.2
204.03006	2.9
205.03331	0.2
210.57553	0.2
254.05783	0.2
366.08337	10.2
367.08676	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	366.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03351	0.4
59.01267	1.2
71.01280	0.7
71.54272	0.6
73.01064	0.4
89.02312	0.4
101.22805	0.3
116.04985	4.2
122.06115	0.6
130.47157	0.4
138.08411	0.4
150.05524	0.9
160.03993	100.0
161.04373	5.2
167.03455	0.5
174.07672	0.9
204.03043	4.1
261.77548	0.4
263.16690	0.4
277.99954	0.4
330.12000	1.2
366.08389	19.2
367.08746	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	365.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01258	100.0
71.56429	35.5
77.91051	23.5
85.34845	21.0
130.48006	20.6
163.32730	22.3
286.68597	22.1
296.49573	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2339
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	1.0
59.01262	13.0
61.98711	1.3
70.79331	0.8
71.55772	0.9
77.53214	0.7
81.45256	0.7
83.04908	1.0
89.02357	0.8
91.03916	0.9
97.04340	0.8
111.08060	9.5
133.07803	0.8
167.10684	2.4
174.22810	0.7
177.12791	1.3
179.10776	1.8
195.13861	6.3
195.54469	0.9
201.02550	3.3
203.14297	0.9
247.20715	2.1
273.18744	1.6
279.56720	0.9
291.19714	100.0
292.20093	10.6
365.23514	2.3
375.86829	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28871	1.1
53.79791	1.1
58.79720	1.1
59.01261	21.6
63.54678	1.1
69.44426	2.6
69.44833	8.1
71.01264	2.5
71.12952	1.1
87.00762	1.6
87.34566	1.1
109.28362	1.2
113.02271	1.3
121.10152	4.0
130.93861	1.3
146.06059	1.2
150.43649	1.1
159.32274	1.2
170.89218	1.2
171.10225	8.2
195.13878	7.0
201.02449	3.2
213.14795	1.2
221.20676	1.2
223.13391	6.7
256.13187	2.7
275.20200	27.8
276.20493	1.7
293.21292	100.0
294.21616	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	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16381	0.3
59.01262	100.0
60.01594	1.2
61.98719	0.4
65.85456	0.3
69.57044	2.2
71.01276	0.9
75.00787	0.5
78.05068	0.3
93.54035	0.3
98.19811	0.6
103.47457	0.3
111.84145	0.3
306.13565	0.5
366.15897	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50787	0.7
58.00482	1.7
59.01263	100.0
60.01613	1.2
61.98716	6.0
71.01270	22.9
71.55517	0.9
72.99187	1.5
73.02834	2.4
75.00773	1.5
83.01268	2.5
85.02841	6.1
87.00781	2.1
87.04366	0.9
89.02338	15.2
92.15229	0.7
95.01254	1.1
99.00755	1.4
101.02346	15.6
111.08073	2.6
113.02360	8.2
115.25100	0.8
118.02878	1.2
119.03416	8.0
131.03433	0.8
136.03969	1.3
143.03432	1.5
147.06534	0.9
160.03889	1.2
161.04520	4.4
173.08124	5.1
179.05508	0.8
180.02974	2.8
185.11815	2.2
203.12834	5.2
263.11377	1.3
265.30505	0.8
297.84885	1.0
305.12827	1.4
305.16116	8.9
306.16422	1.1
337.21564	0.9
365.18204	51.2
366.18634	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	365.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01762	1.6
57.03340	0.7
57.29963	0.6
58.00462	0.6
59.01266	17.8
70.89314	1.5
71.00893	0.9
71.01268	9.5
72.99177	0.9
73.02832	3.6
75.00752	2.6
83.01270	2.7
83.89144	0.6
85.02837	4.5
87.00756	0.8
89.02326	2.6
93.91795	0.6
96.95898	0.6
99.00791	1.1
101.02339	9.2
110.66300	0.5
113.02357	3.3
118.37931	0.5
129.01868	0.6
139.70982	0.5
146.03629	0.8
154.08725	1.1
157.12274	2.9
159.08131	1.6
161.04507	1.5
162.05524	1.0
185.11797	1.0
187.04008	2.2
203.07111	1.6
203.12845	6.2
259.10968	0.8
267.11334	0.6
322.21692	0.7
329.11740	0.8
347.17416	1.4
365.18213	100.0
366.18454	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	365.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57826	0.6
57.03331	1.4
59.01262	31.0
61.98711	1.2
64.55675	0.6
68.88940	0.5
71.01271	13.9
71.04902	1.2
71.56532	0.6
72.56663	0.6
72.99199	2.3
73.02834	2.9
75.00775	1.7
83.01276	2.6
85.02828	5.0
85.99969	0.5
87.00758	1.6
88.26143	0.6
89.02335	7.5
95.01274	1.3
96.95918	1.0
99.00770	1.0
100.19244	0.7
101.02342	12.2
108.02049	0.8
113.02364	4.8
119.03405	3.2
132.04474	0.7
133.02916	0.7
135.04453	0.6
139.11264	0.8
150.05562	0.9
152.01060	0.9
154.08705	1.4
155.10681	1.0
157.12305	6.0
159.02887	0.8
161.02385	2.3
161.04495	0.9
185.11838	3.6
187.13309	0.9
199.13219	0.7
203.10925	1.0
203.12849	18.5
204.13153	1.7
243.11305	0.7
245.14067	0.8
305.16040	0.6
365.18204	100.0
366.18478	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	363.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83278	0.2
56.66509	0.2
59.01264	100.0
60.01600	1.0
63.05810	0.2
70.12347	0.2
70.96889	0.6
71.01264	0.5
73.02835	0.3
75.00749	0.3
82.33002	0.2
85.02861	0.2
89.02271	0.3
101.02330	0.4
116.12201	0.2
117.32631	0.2
118.90608	0.2
164.84230	0.2
201.11351	0.4
221.29237	0.2
257.98874	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	365.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38322	0.3
55.01767	0.8
57.03338	1.3
58.00472	0.5
59.01264	100.0
60.01602	1.3
62.06940	0.3
71.01270	58.6
72.01602	1.0
72.99195	1.1
73.02835	5.2
75.00755	0.8
81.03368	0.3
83.01273	2.1
83.21282	0.3
85.02838	8.6
85.06519	0.4
85.99988	1.0
87.00777	3.7
87.04397	0.9
89.02334	4.2
95.01280	0.7
97.02861	0.6
99.00776	1.7
99.04406	0.5
101.01708	0.6
101.02349	10.8
101.05973	1.2
103.03913	0.9
111.08066	0.6
113.01646	0.4
113.02360	6.6
119.03375	1.5
123.03116	0.3
125.02341	0.6
129.01814	0.7
129.05534	1.8
143.03383	0.7
147.06570	15.0
159.02834	1.0
160.03856	0.4
161.03241	0.5
161.04504	7.1
173.08153	4.8
174.08176	0.4
200.15253	0.3
201.07704	2.8
203.12804	0.6
208.05986	0.4
223.97104	0.4
229.10800	0.4
245.10329	3.3
259.13431	0.4
263.11404	13.3
264.11496	1.1
291.10635	1.3
305.12155	2.5
305.15820	1.1
333.11685	0.6
365.18164	5.0
366.18155	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.167
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21173	0.2
59.01265	100.0
60.01617	1.5
61.98746	0.2
63.11700	0.2
71.01272	0.5
73.90445	0.2
75.00792	0.3
85.02839	0.3
89.02334	0.3
93.46062	0.2
101.02345	0.5
113.02325	0.4
114.07426	0.2
126.03597	0.2
255.60938	0.3
343.10312	0.3
363.16757	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01263	17.6
69.24438	3.1
69.24866	5.4
71.01263	8.8
72.99196	11.7
73.02835	3.2
75.00768	1.0
76.92580	0.6
83.01269	2.8
85.02844	4.4
87.00774	1.4
89.02347	3.9
95.01282	0.9
98.19791	1.6
99.00794	1.4
101.02350	8.8
113.02375	3.5
119.03408	3.0
123.28794	0.7
131.81642	0.7
133.67976	0.7
152.01111	0.8
159.03107	0.7
183.10229	3.2
201.11324	3.0
231.15985	1.5
253.68115	0.8
286.05307	0.8
293.92688	0.8
345.15741	1.0
363.16684	100.0
364.16986	9.5
380.90628	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2606
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
77.25964	1.9
98.20674	3.3
127.55253	2.2
164.03639	2.0
169.61531	2.4
181.74234	1.8
201.39053	2.1
301.16879	3.8
323.30011	2.0
357.03336	2.1
361.23651	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	363.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40728	1.2
57.03318	1.6
59.01263	38.1
70.23547	1.1
71.01276	20.0
71.54986	1.5
72.99192	5.9
73.02836	3.7
75.00761	5.5
77.46967	1.4
79.73463	1.1
83.01276	1.7
85.02843	6.2
87.00744	1.4
89.02344	17.0
89.25112	1.0
96.95866	1.6
99.00786	1.8
101.02341	16.5
107.08537	2.0
108.04444	4.8
113.02348	7.7
118.47600	1.0
119.03394	6.8
120.99507	1.1
121.05261	2.1
122.99177	1.3
123.03179	8.3
125.06005	1.3
130.30475	1.0
134.06068	1.2
135.04247	1.3
136.07608	18.0
138.05537	40.0
139.05939	1.3
139.11189	4.7
141.07423	1.0
141.46774	1.2
159.02956	1.0
159.06523	1.7
159.56853	1.1
161.04483	2.1
161.86824	1.2
164.03476	1.1
178.79163	1.2
182.04552	3.9
183.10217	35.0
184.07613	1.2
184.10533	3.2
199.10152	1.4
200.05949	2.0
201.11331	10.0
212.05914	2.1
214.12332	3.3
215.12965	2.6
227.08234	15.5
241.09695	1.1
242.10623	14.9
257.13000	97.4
258.13348	9.2
259.11139	1.7
271.10791	1.6
301.11884	1.7
345.11029	14.9
346.11221	2.1
363.12305	5.0
363.16653	100.0
364.17023	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	361.1877
Annotation	Unknow
Peak:m/z	Relative Intensity
56.34749	0.6
57.03336	1.1
58.00492	0.6
59.01263	87.1
60.01588	1.3
66.15756	0.6
71.01266	9.2
71.59242	0.6
72.80312	0.6
72.99213	1.1
73.02845	3.8
74.35880	0.7
75.00766	0.9
80.02583	0.6
81.03364	0.6
83.01276	2.3
83.04915	2.9
85.02844	4.9
85.82838	0.7
87.00767	0.7
89.02328	1.5
93.03330	0.6
95.01257	0.6
96.95908	0.6
99.00771	1.1
101.02345	7.8
109.02891	1.4
113.02376	2.1
119.03426	0.6
121.02865	3.4
122.03681	2.3
137.02454	0.8
140.49445	0.6
147.04535	1.1
158.71362	0.8
163.11244	1.8
165.05530	6.7
165.12828	1.8
179.07135	1.2
199.13321	5.1
209.11810	100.0
210.12114	6.4
210.94675	0.7
225.54645	0.6
227.12915	4.8
346.14484	1.7
351.78366	0.6
361.19034	52.8
362.19495	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	361.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20707	0.5
53.98629	0.5
55.46491	0.5
57.03336	0.9
59.01265	19.3
61.46484	0.6
68.94630	0.5
69.03357	1.3
70.04142	2.8
71.01276	1.5
72.99200	33.2
73.02832	1.4
75.00768	23.4
79.28412	0.4
85.02866	0.8
87.04427	1.7
89.02345	0.8
96.95883	0.6
101.02348	1.2
102.05513	0.5
135.04425	1.1
148.04005	0.5
159.75493	0.5
160.03917	0.6
161.04591	0.8
162.05615	0.8
167.55154	0.6
178.05234	0.5
189.04279	1.0
203.04816	0.6
220.06032	0.5
225.11263	1.4
227.08315	1.4
239.08331	0.7
243.12402	8.1
245.09309	1.8
255.11395	1.0
257.13992	100.0
258.14316	8.0
267.11255	0.6
271.07358	0.9
273.13190	1.1
275.15067	0.6
285.13339	1.2
299.10452	1.5
301.13046	4.9
319.14066	5.1
320.14529	0.6
329.11496	0.8
343.09308	2.7
343.13229	1.4
361.10419	2.8
361.15082	36.8
361.22501	1.8
362.15442	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	361.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22869	0.5
59.01263	96.2
60.01602	1.2
69.26561	5.8
71.01272	1.2
73.02855	0.5
80.02574	0.5
83.04914	2.8
85.02855	0.5
98.20580	1.1
101.02332	1.1
115.58137	0.5
125.06071	0.5
153.99136	0.6
160.03957	0.6
163.11243	1.8
165.12787	1.0
171.77451	0.5
199.13425	1.1
209.11815	100.0
210.12132	6.8
213.61569	0.6
215.05142	0.5
227.12869	4.5
304.57477	0.5
319.21356	2.2
343.21466	0.5
361.18549	2.4
361.22513	2.0
361.26282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01807	1.1
57.03344	1.5
58.00465	0.9
58.02869	9.8
59.00994	1.4
59.01267	18.2
69.44288	8.7
70.02869	1.2
71.01268	7.0
72.00777	1.4
72.04442	1.3
72.99199	1.7
73.02829	2.7
74.02366	16.4
75.00776	2.7
82.02863	4.3
83.01284	3.5
83.04905	1.2
83.28686	0.9
85.02850	3.1
85.03997	1.8
87.02665	1.2
87.05528	1.0
88.02993	0.9
89.02346	1.9
95.01286	1.5
96.04450	8.1
96.95907	0.9
97.03986	8.7
98.02377	6.5
99.00764	1.5
99.05536	16.5
100.00286	2.4
100.03968	1.1
101.02340	6.5
103.03922	2.6
108.04454	10.4
109.04011	2.6
110.02416	3.2
110.06042	1.8
111.08074	2.3
112.03960	14.4
112.07597	11.3
113.02329	2.6
113.03474	7.0
119.03407	1.6
122.06055	4.7
124.03982	8.7
125.03519	2.8
125.04755	4.4
126.05526	2.3
127.05056	12.2
133.06877	12.2
137.07143	5.6
138.05533	2.8
139.08685	1.3
140.07104	17.3
141.09196	0.9
143.04582	4.0
149.79146	0.9
152.03462	4.2
155.06963	1.8
155.08202	27.2
155.10701	2.7
161.04530	1.9
165.06645	19.0
166.05074	3.1
181.06216	1.5
183.07729	52.5
184.08060	1.8
199.07516	2.0
201.11378	1.7
205.07172	5.8
209.05800	1.4
209.11784	2.5
225.05164	3.3
227.06740	100.0
228.07138	5.2
236.05598	2.0
296.65985	1.1
301.20413	2.6
319.21295	8.5
361.14441	23.0
361.18439	2.3
361.22311	13.8
361.26694	1.4
362.14789	3.1
362.22507	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	361.1415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01751	0.9
59.01270	12.7
71.01286	4.4
71.56184	1.7
72.99212	7.6
73.02816	1.4
75.00761	6.9
85.02845	0.9
87.05827	0.9
89.02325	2.0
93.03318	0.9
101.02341	3.1
110.06058	4.7
113.02368	1.2
116.05035	1.0
118.06506	1.3
119.03548	0.9
120.04481	1.7
121.05236	2.0
122.06053	13.7
132.04494	2.8
134.06027	1.7
138.05547	20.8
139.05882	11.8
144.04465	2.9
145.05264	13.5
146.06084	9.7
147.03140	1.2
148.03946	2.7
148.07555	1.2
159.03162	4.8
160.03990	49.4
161.04776	21.8
162.05501	4.3
164.03464	2.0
175.02676	2.3
175.05080	0.9
176.03505	11.0
177.04263	8.3
188.03526	4.9
189.04298	64.2
190.04839	7.1
192.02966	3.3
193.03793	13.9
194.04111	1.2
199.09663	1.4
203.05951	1.3
220.06070	2.0
221.03381	15.1
221.06923	21.1
222.03436	1.6
222.07188	2.0
223.22397	0.9
224.10875	0.8
225.06505	1.6
227.08253	1.6
231.11406	2.7
243.11311	4.5
245.09328	4.1
253.05963	8.0
255.11433	15.9
257.13953	18.4
267.11450	29.0
268.11877	2.0
271.07239	1.4
273.12115	1.1
283.10898	2.5
284.11356	1.0
285.09338	1.0
285.12482	6.3
299.10431	12.7
311.10461	39.2
312.10648	3.6
317.14978	1.0
319.13809	1.1
329.11514	22.6
330.11761	2.5
331.13058	22.8
332.13409	2.3
343.09702	4.8
343.13058	100.0
344.09775	1.5
344.13388	11.7
361.10291	2.3
361.14276	41.9
361.22400	4.0
362.14398	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	360.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01610	0.9
71.01264	2.9
71.15921	0.7
71.16238	0.7
72.99203	1.4
73.02838	0.6
74.72215	0.5
74.99048	0.5
75.00750	0.7
85.02851	1.4
89.02354	2.2
90.61403	0.5
96.95922	1.1
101.02358	2.3
108.04484	1.0
113.02358	1.8
119.03410	1.3
119.08646	0.6
123.03174	2.5
137.09697	0.6
138.05539	60.1
139.05916	2.5
150.09409	0.5
152.07188	0.5
161.04497	0.7
167.05760	1.0
180.06674	2.4
181.08661	1.3
198.99936	1.0
210.07864	0.7
226.08629	0.7
233.35437	0.5
257.13879	2.6
262.77951	0.6
300.10962	27.8
301.11398	2.2
315.97723	0.5
317.11508	0.6
350.41772	0.5
360.24075	5.9
361.05383	1.6
361.10657	1.1
361.15088	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	360.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	6.1
63.31535	0.1
68.01284	0.1
70.30055	0.4
71.01259	0.5
72.99193	0.2
73.02824	0.3
75.00758	0.3
84.00780	0.2
85.02840	0.3
85.44788	0.1
88.07053	0.1
89.02332	0.2
96.95921	0.3
101.02347	0.3
112.03923	0.3
113.02351	0.2
122.02411	0.2
123.02275	0.1
123.03179	4.4
138.05534	100.0
139.05894	4.1
152.07159	0.7
154.08620	0.2
161.04498	0.7
162.05498	0.2
180.06616	0.3
192.06644	0.2
257.13998	0.6
282.09854	2.0
282.12814	0.2
283.10461	0.2
285.09067	0.2
300.10925	1.8
300.14026	0.2
301.11383	0.1
318.11942	0.1
342.12033	0.2
343.12933	0.2
360.13150	0.1
361.10355	0.2
361.14951	0.5
361.22476	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	359.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	27.1
71.42846	2.0
88.24294	0.8
95.43540	0.9
130.25389	0.8
130.94020	0.9
275.20209	1.0
277.21780	100.0
278.22134	9.5
359.15195	1.8
359.22101	24.5
360.22342	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	360.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	9.5
59.07364	0.4
70.71247	0.9
71.01276	1.1
72.99204	0.6
73.02843	0.4
75.00771	0.6
81.04043	0.3
81.14404	0.4
89.02354	0.6
97.20726	0.4
101.02339	0.8
108.02083	7.0
113.02335	0.4
121.02903	0.5
128.03387	0.5
138.01903	100.0
139.02272	2.8
151.02702	0.5
156.31793	0.4
161.04500	0.4
180.02925	0.5
181.08597	0.4
205.69385	0.3
257.14005	1.1
313.64276	0.4
357.59537	0.4
360.16937	0.8
361.15100	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	359.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61052	0.9
53.36084	0.9
54.11547	1.0
57.03325	1.5
59.00998	1.4
59.01269	12.2
68.99700	3.4
70.70264	2.4
70.70619	2.1
71.01263	4.3
71.04914	1.2
72.99186	6.5
73.02834	16.1
75.00767	4.6
80.04945	2.8
83.04938	1.2
87.00731	1.5
96.95895	1.7
97.06480	1.6
97.96090	1.2
100.98711	4.1
109.02831	1.4
113.02397	1.3
115.00291	4.2
118.99775	7.4
125.09632	2.4
132.04465	11.0
133.01361	4.0
133.02811	1.3
134.03625	2.4
134.05997	2.2
145.02873	3.1
146.03545	1.2
150.05539	3.5
152.07127	6.5
153.09171	1.4
156.05786	1.8
157.06531	2.1
158.03670	5.1
159.04453	9.9
161.02391	14.0
162.03239	1.1
162.05563	2.0
169.06569	1.5
169.08621	1.5
170.03764	2.3
171.04527	7.1
171.11748	1.8
172.05217	12.2
173.02393	3.0
173.05899	1.9
174.03169	12.8
175.03912	3.5
183.04509	9.2
183.11781	3.2
184.05275	8.1
185.06042	15.1
186.03171	7.8
186.06779	5.8
187.03981	25.0
187.07565	2.5
187.11247	2.7
188.04575	2.1
189.01918	6.3
196.04198	2.3
197.06056	12.3
197.09676	1.2
198.06830	31.6
199.07298	3.5
199.11273	3.9
199.13315	2.4
200.04726	2.5
202.02768	7.1
203.03168	1.3
210.06911	1.4
211.07603	3.7
211.13374	3.2
212.08415	3.2
213.05539	3.7
213.09229	4.4
214.02708	9.1
214.06039	1.3
215.03487	17.7
215.10738	13.0
216.04147	1.8
225.09360	1.5
227.10789	100.0
228.04410	1.6
228.11087	8.1
231.10304	5.3
241.05058	1.3
241.09006	1.2
241.14426	3.9
243.10236	23.6
243.12421	17.9
244.10565	2.4
245.11830	1.8
251.12880	1.8
253.08852	2.3
257.08203	3.7
269.00809	1.3
271.09821	70.9
272.10165	5.4
297.12503	8.0
299.18665	4.9
315.08798	9.1
315.13611	5.4
317.19778	16.8
344.12268	1.4
359.17322	1.8
359.21021	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	357.2654
Annotation	13,14-dihydro Prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.67921	0.3
57.03336	2.1
59.01271	2.4
61.98710	0.3
69.03329	0.3
70.86461	0.3
71.01266	0.6
71.04902	0.3
78.47076	0.3
85.02834	0.5
97.06478	0.5
109.02812	0.3
116.53458	0.3
121.02864	2.3
124.20022	0.3
130.08600	0.4
135.04436	0.3
139.11203	2.3
155.14331	0.6
169.12181	0.6
171.10216	0.5
192.95816	0.4
199.13423	0.5
199.91805	0.4
215.07323	0.3
229.12268	0.3
259.09799	0.4
267.23309	0.6
269.21246	0.3
297.11923	0.4
309.24432	1.0
311.22333	6.5
312.22638	0.7
327.25482	0.6
339.25372	1.0
340.25674	0.3
357.06201	0.7
357.26523	100.0
358.26859	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	358.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53544	0.3
53.82660	0.2
54.86301	0.2
59.01266	4.7
70.34007	0.6
70.34402	0.7
71.01270	1.6
72.99192	0.5
73.02828	0.3
75.00759	0.6
85.02376	0.3
85.02844	1.2
89.02338	0.4
95.01270	0.8
101.02342	0.6
108.08095	100.0
109.08437	4.2
113.02341	1.8
117.05696	0.4
119.03619	0.5
120.08102	2.7
122.09647	0.4
124.03938	0.6
125.02366	0.3
132.08118	1.7
134.06067	0.5
136.07602	0.4
148.07593	1.9
152.07106	77.0
153.02007	0.3
153.07452	3.6
164.07123	1.2
166.08684	16.3
167.09012	0.8
173.19084	0.3
176.07089	1.0
176.49619	0.3
194.08202	8.0
194.09969	0.4
195.08495	0.4
196.06133	53.0
197.06451	3.1
198.06923	0.4
227.10670	0.7
238.07222	9.4
239.07602	0.7
243.07816	0.5
271.09958	0.4
298.09372	5.3
299.09738	0.4
314.11127	0.3
316.18716	0.3
317.19781	0.7
343.11356	0.3
349.17191	0.3
358.06863	0.5
358.11490	9.0
359.08554	0.6
359.12256	0.4
359.20953	0.7
372.82669	0.3
383.99698	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60092	8.0
57.03333	10.4
59.01256	85.5
61.98727	10.5
71.01279	9.5
71.19873	8.2
81.03336	11.2
83.01270	45.0
83.04929	10.4
84.02055	10.8
89.02326	10.3
97.02906	10.0
97.06490	14.5
98.20611	13.2
109.02769	9.0
121.00430	9.0
121.02876	58.4
123.08054	11.4
123.65708	10.6
125.09631	74.9
135.04384	10.9
145.02966	7.7
163.11163	21.7
191.10736	49.6
191.69208	7.8
192.95816	12.3
199.13298	12.9
207.10243	10.8
209.11787	71.8
223.13365	14.4
226.12106	54.4
226.13956	8.9
229.27516	11.2
241.14456	100.0
242.14738	9.4
248.47653	12.0
297.11804	9.4
357.06372	13.1
357.26535	93.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2653
Annotation	16,17,18,20-Tetrahydroxy-10,11,14,15-tetrahydronerylgeraniol
Peak:m/z	Relative Intensity
56.54265	0.7
57.03336	14.4
58.00474	2.0
58.28068	0.6
59.01262	7.9
61.19262	0.6
61.98683	0.6
62.13028	0.7
62.94119	0.7
69.03336	3.1
70.75066	0.7
71.01277	3.9
71.04900	5.9
71.56633	1.2
73.02834	5.4
75.00768	1.4
81.03340	0.9
83.04912	3.0
84.02052	3.2
84.21120	0.8
85.02845	1.9
85.06468	1.2
87.04398	7.0
87.07999	0.8
93.06987	3.6
95.04914	4.2
96.95898	0.6
97.06484	8.3
99.04419	1.5
99.08038	3.8
101.06042	0.8
109.02922	0.9
109.06511	1.5
111.04461	1.7
111.08063	2.4
113.05974	1.4
113.09623	7.4
121.06538	0.9
121.10139	6.2
123.04459	1.1
123.08074	5.1
125.09604	3.7
127.07496	1.4
127.11182	2.4
132.04410	1.0
135.04399	1.0
137.09628	2.2
139.11209	7.6
141.09126	2.0
141.12772	2.1
149.09613	0.8
149.13310	1.0
151.11224	6.6
151.64761	0.7
153.12793	2.2
155.10645	1.5
157.12286	20.2
158.03708	0.9
163.11208	3.7
166.40862	0.7
167.10710	1.3
169.12305	3.5
171.10208	8.0
171.13814	2.8
173.11781	1.7
180.86038	0.7
181.12302	3.2
183.13844	2.1
185.11798	2.4
186.06927	0.8
186.12541	5.7
187.07664	1.4
187.13351	10.6
193.12302	8.0
199.13383	12.6
200.14023	3.1
201.14937	12.4
202.15208	0.9
209.11812	1.2
211.13339	2.0
211.17070	0.9
212.04778	1.4
215.07106	1.3
219.13960	0.9
223.20602	0.8
225.14973	9.4
226.15549	1.4
227.12801	0.8
227.16499	2.9
228.13637	2.7
229.18091	2.8
237.14943	1.0
243.16035	4.0
251.16626	2.1
253.21783	1.0
259.09735	1.1
260.10468	1.1
263.20166	1.0
269.15244	1.0
269.17651	5.5
281.17639	0.9
281.87723	0.7
291.23318	0.8
296.52829	0.7
297.24451	11.0
298.24887	1.0
303.23349	2.8
304.23474	0.9
307.19354	1.0
309.24384	9.8
310.24734	0.8
311.22171	0.8
313.14371	1.1
321.20877	0.8
321.24393	13.1
322.24911	0.8
327.25357	4.1
339.21729	1.3
339.25427	13.0
340.25665	1.4
357.17154	4.4
357.22717	41.5
357.26529	100.0
358.17526	1.0
358.23080	4.9
358.26877	11.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1924
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01596	1.3
61.98718	1.2
71.01264	2.1
96.95901	0.7
99.00795	0.7
104.94012	0.6
109.02898	2.2
121.02847	7.6
122.03178	0.7
141.21211	0.8
173.16945	0.7
181.06691	0.9
183.77170	0.7
186.06839	1.3
187.07652	1.8
192.95984	0.9
209.11876	1.9
212.04729	0.9
215.07161	1.5
217.80627	0.7
223.13414	3.2
241.08670	0.8
259.09882	2.1
260.10568	1.2
313.07632	1.2
329.46619	0.7
357.06525	3.0
357.17191	1.5
357.22906	1.0
357.26791	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	357.12
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	100.0
60.01582	0.5
69.81759	1.0
69.82175	1.9
71.01266	1.7
74.66720	0.5
75.00789	0.7
81.92405	0.5
89.02343	1.0
93.03355	17.2
94.03689	0.6
96.95934	1.3
98.20466	0.6
99.46376	0.5
101.02393	0.7
108.02152	0.5
135.04449	0.5
168.77937	0.5
177.05585	0.5
177.09181	0.7
195.10191	0.7
207.65932	0.6
239.42642	0.5
285.04263	0.6
305.77588	0.5
357.15527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.12
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
59.01265	23.2
59.18184	0.6
60.47547	0.6
61.98722	1.3
71.01261	2.5
71.55289	1.0
81.82737	0.6
82.55939	0.6
85.02864	0.7
92.98251	0.8
94.22935	0.6
96.95911	0.9
101.02335	1.0
108.02061	1.7
113.02349	1.1
114.45637	0.6
116.07056	0.7
119.04955	2.4
121.02860	1.9
123.04465	3.2
124.01575	0.9
125.02341	0.7
134.03651	0.9
135.04480	8.9
136.05241	11.5
150.03156	1.0
151.03929	4.5
151.07590	3.3
162.03273	0.7
177.05547	0.7
195.06615	100.0
196.07010	6.4
200.96513	0.7
357.07294	1.0
357.12018	1.3
359.18811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0622
Annotation	3,8-Dimethoxy-5,7-dihydroxy-3',4'-methylenedioxyflavone
Peak:m/z	Relative Intensity
50.27610	0.2
59.01256	0.9
71.01293	0.3
71.56436	0.4
86.72597	0.2
93.03355	0.3
116.57409	0.3
121.02869	100.0
122.03206	4.1
165.01828	1.2
180.05806	1.6
181.06549	6.8
182.06889	0.7
188.79564	0.2
197.05942	0.3
225.05573	5.0
226.06067	0.3
259.55545	0.2
269.08206	0.2
289.24225	0.3
313.07248	8.7
314.07547	1.1
357.06235	37.7
357.26376	1.2
358.06546	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	355.2286
Annotation	19-(2-furyl)nonadeca-5,7-diynoic acid
Peak:m/z	Relative Intensity
59.01261	7.8
71.56721	1.6
85.02853	2.8
87.62022	1.2
107.04952	1.8
109.02850	3.9
111.00834	2.6
122.03650	10.0
127.07584	1.7
135.04448	25.5
136.01613	2.0
143.54440	1.3
147.08093	2.1
149.09683	7.3
151.07516	2.3
155.33894	1.5
161.09712	9.9
163.07568	2.9
163.11238	50.8
164.08382	19.1
164.11549	3.2
165.09148	9.4
177.09178	72.1
178.09962	20.0
179.10733	75.3
180.11067	3.7
182.41309	1.5
183.10280	2.7
187.11201	2.4
191.10725	11.3
193.08694	8.5
197.31097	1.4
207.80525	1.3
212.24060	1.3
246.64044	1.3
280.14716	3.7
285.30164	1.3
298.15787	44.4
299.16168	5.0
300.64392	1.2
307.16913	1.6
309.22256	1.6
321.18887	1.9
337.21808	51.8
338.22214	5.9
340.20496	84.6
341.20770	9.6
355.22852	100.0
356.23190	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	356.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01276	3.1
61.98716	100.0
69.72411	3.5
71.01270	1.0
75.71570	0.7
76.57709	0.6
89.02354	0.8
98.19782	1.0
121.02890	2.4
171.80499	0.7
185.96692	0.7
187.43340	0.7
192.95929	1.1
224.55768	0.7
326.64380	0.6
348.71237	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2129
Annotation	Guayulin B
Peak:m/z	Relative Intensity
50.16680	0.2
51.02413	0.3
55.77173	0.2
56.90322	0.3
59.01252	0.6
70.90376	0.5
70.90713	0.5
79.95620	2.9
90.53203	0.2
94.97965	0.5
95.95126	0.8
96.95914	26.0
97.95849	0.3
118.19833	0.3
122.97469	1.7
149.06044	0.3
163.11232	81.2
164.11560	4.9
177.09171	64.4
178.09509	3.6
190.10033	0.3
191.05565	0.6
194.05869	0.4
212.80327	0.3
222.09007	0.6
321.98578	0.3
353.21109	100.0
354.21533	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	355.1043
Annotation	Juglanoside E
Peak:m/z	Relative Intensity
59.01267	4.0
70.84924	0.9
70.85264	1.1
71.01254	1.4
96.95943	0.8
113.02312	0.6
121.02869	2.1
133.02852	2.0
134.03664	57.7
135.03973	2.9
137.02379	8.0
139.03954	3.3
149.02412	1.3
149.06015	16.1
149.72163	0.5
150.03140	1.6
150.06323	1.3
178.02673	36.3
179.02997	1.3
193.01340	2.1
193.05037	100.0
194.05333	5.9
214.52025	0.6
319.13629	0.9
355.10593	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	351.1714
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
59.01262	21.4
69.72921	6.4
69.73331	2.8
71.01263	1.6
74.56802	1.5
75.00748	4.3
76.82878	1.4
95.04897	7.0
105.36263	1.4
153.51833	2.0
176.01964	1.6
195.13867	5.7
221.33827	1.5
223.13371	5.5
225.01750	1.7
231.10158	2.4
255.83246	2.0
275.20120	3.6
278.11371	7.8
281.07623	1.7
293.21298	37.9
294.21579	4.5
314.07715	3.2
315.19586	2.2
351.17123	100.0
352.17514	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	351.1716
Annotation	Vindolinine N-oxide
Peak:m/z	Relative Intensity
51.10539	1.5
59.01263	20.2
63.84558	1.5
69.72766	4.9
69.73189	4.2
73.76240	1.4
74.96082	1.7
121.10152	6.8
126.26776	1.6
171.10237	11.9
176.75703	2.1
192.95726	2.0
219.61829	1.4
231.10182	1.8
275.20187	18.6
275.93777	1.4
293.21371	11.1
351.17126	100.0
352.17505	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	349.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27462	0.5
51.38646	0.5
59.01263	100.0
60.01593	0.7
68.18081	0.5
69.61476	4.0
71.01264	3.4
72.99215	0.8
73.02863	0.7
75.00773	1.9
81.03353	0.6
85.02827	1.1
89.02345	2.4
96.95905	0.7
98.20008	1.8
99.00787	0.9
99.92335	0.5
101.02354	2.0
102.49847	0.6
105.35011	0.6
113.02375	1.2
126.75826	0.5
130.91676	0.6
145.88097	0.6
156.41139	0.5
161.04535	0.6
229.08696	0.9
287.09775	0.6
303.55762	0.5
305.11423	2.0
342.56516	0.6
349.09476	0.7
349.14777	0.6
349.18951	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	348.2763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01615	1.3
61.98728	0.7
71.01270	1.5
71.27993	0.6
71.56839	1.0
73.20632	0.6
74.38104	0.6
78.57990	0.6
78.96627	0.6
85.02868	0.9
89.02360	1.0
97.31361	0.8
101.02366	1.2
153.79802	0.8
169.24274	0.7
261.09406	0.6
339.94180	0.8
349.19168	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	349.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27462	0.5
51.38646	0.5
59.01263	100.0
60.01593	0.7
68.18081	0.5
69.61476	4.0
71.01264	3.4
72.99215	0.8
73.02863	0.7
75.00773	1.9
81.03353	0.6
85.02827	1.1
89.02345	2.4
96.95905	0.7
98.20008	1.8
99.00787	0.9
99.92335	0.5
101.02354	2.0
102.49847	0.6
105.35011	0.6
113.02375	1.2
126.75826	0.5
130.91676	0.6
145.88097	0.6
156.41139	0.5
161.04535	0.6
229.08696	0.9
287.09775	0.6
303.55762	0.5
305.11423	2.0
342.56516	0.6
349.09476	0.7
349.14777	0.6
349.18951	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	347.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59326	6.8
59.01260	75.1
71.01256	14.0
73.02827	7.4
83.33175	6.8
101.02345	7.9
121.02855	8.7
139.11273	8.9
140.70349	6.5
150.53993	6.6
161.04536	9.2
171.10236	16.2
193.08699	7.9
225.65280	7.1
268.65973	7.8
293.21432	44.0
294.21674	9.6
309.20892	16.8
311.22278	100.0
312.22449	16.6
329.14032	11.1
347.18573	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59326	6.8
59.01260	75.1
71.01256	14.0
73.02827	7.4
83.33175	6.8
101.02345	7.9
121.02855	8.7
139.11273	8.9
140.70349	6.5
150.53993	6.6
161.04536	9.2
171.10236	16.2
193.08699	7.9
225.65280	7.1
268.65973	7.8
293.21432	44.0
294.21674	9.6
309.20892	16.8
311.22278	100.0
312.22449	16.6
329.14032	11.1
347.18573	44.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1257
Annotation	Achillamide
Peak:m/z	Relative Intensity
59.01260	8.2
68.99708	1.9
70.03218	3.2
70.03626	1.9
71.01283	3.6
73.02837	1.5
80.04963	1.4
81.32346	0.9
84.04432	2.2
85.02842	1.7
94.06532	1.7
95.04929	5.2
96.04452	2.1
97.01590	2.0
101.02345	3.1
107.03645	2.8
108.04508	2.4
110.06028	68.6
111.06367	2.4
112.04008	1.2
116.04979	19.0
118.06530	9.6
121.05228	1.1
122.06038	76.6
123.03160	1.1
123.06377	1.9
124.03959	2.6
125.86854	1.3
132.04453	2.2
134.06105	1.6
140.07135	1.5
144.04486	55.0
145.04854	2.2
146.06056	2.9
147.03192	2.5
150.05650	1.2
161.04675	4.3
162.05553	61.7
163.06261	5.2
164.07137	1.4
166.05046	1.4
177.04208	1.1
185.07190	1.7
188.03514	16.1
191.05823	2.7
195.05356	4.7
200.07143	2.2
212.10884	2.1
215.11859	1.7
224.10852	1.8
230.08412	1.3
230.11856	3.7
232.87833	1.2
241.13477	2.0
242.11911	2.8
243.11536	1.8
252.09138	5.2
255.11450	18.9
256.11880	2.0
260.12915	4.3
267.11456	57.0
268.11728	5.2
273.12567	12.6
274.12857	1.3
284.08179	1.6
285.12515	100.0
286.12936	9.1
303.13556	24.6
304.13934	3.7
311.10480	6.3
328.67731	1.2
329.11353	7.8
347.12567	26.2
347.16776	2.5
348.12848	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	347.1258
Annotation	Achillamide
Peak:m/z	Relative Intensity
52.73822	2.4
55.08213	2.3
59.01270	22.8
60.27044	2.8
71.01263	9.4
71.53943	2.7
71.58157	2.1
71.58605	2.6
75.00745	4.5
76.70566	2.3
84.04434	3.9
85.80853	2.6
89.02354	3.7
95.04948	2.8
101.02354	5.2
110.06020	45.3
112.04020	2.7
116.04996	7.3
118.06557	4.7
118.97999	4.1
122.06038	50.2
124.07542	2.6
129.50172	2.4
130.42628	2.4
132.04449	5.8
144.04506	24.4
146.06021	4.9
148.03964	15.6
150.01897	4.3
150.05540	49.3
161.04585	3.5
162.05553	43.7
163.06308	4.6
188.03459	8.5
195.05341	3.6
203.11906	3.7
205.91313	2.6
215.08321	5.2
215.11935	3.0
217.13538	3.6
225.06744	2.7
230.11842	7.3
231.11346	6.1
243.11453	7.3
255.11389	7.6
256.97766	2.8
257.09335	5.1
257.13004	8.8
258.10144	3.0
259.10410	4.1
259.14420	3.1
267.11389	12.0
269.09464	2.9
273.12491	42.1
285.12485	76.5
286.12772	5.6
299.10251	4.9
303.13550	100.0
304.14124	6.6
317.11490	58.5
318.11713	5.4
329.11197	12.8
330.51483	2.9
332.89154	2.9
347.12430	32.1
347.17130	13.1
348.12830	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	345.1845
Annotation	Unknow
Peak:m/z	Relative Intensity
54.66154	7.2
59.01271	28.4
70.08912	34.9
98.19788	10.4
103.42331	9.0
111.68001	7.3
125.09774	7.6
153.38304	8.3
171.10239	32.1
186.95432	7.6
248.96143	12.5
288.32669	8.6
290.97186	23.5
291.19672	67.4
294.46378	7.6
306.28000	8.4
309.20749	100.0
345.16510	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	345.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45900	8.8
52.58861	8.8
55.03881	9.4
59.01253	45.8
61.98729	17.2
70.72865	30.3
98.20429	12.9
123.04426	15.5
148.21959	11.1
165.12750	12.0
183.69365	10.0
186.95470	10.4
228.68587	9.8
248.96149	14.8
264.82690	10.8
290.97110	30.7
291.19751	100.0
309.20837	69.5
310.21127	16.6
345.17010	13.0
357.40091	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	345.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21351	0.3
53.23906	0.3
57.03335	0.7
58.94080	0.3
59.01263	100.0
60.01599	1.2
60.99192	0.4
62.81435	0.3
68.09215	0.3
69.03333	0.8
69.50799	2.7
70.42742	0.3
71.01264	1.1
71.04906	0.7
72.99195	1.8
75.00762	3.6
80.48770	0.4
85.02843	0.3
87.22279	0.3
89.02351	0.9
94.04672	0.3
101.02332	0.4
113.02398	0.5
119.03445	0.5
121.10129	0.5
132.04497	0.5
152.01157	0.6
165.04190	0.4
204.92955	0.3
223.13316	0.6
225.11247	1.6
227.12903	4.3
241.14474	75.7
242.14841	6.9
243.12408	1.6
244.88913	0.3
257.13818	1.3
285.10553	0.6
285.13522	6.2
286.13779	0.6
303.10992	0.2
303.14523	6.5
304.14658	0.4
344.61270	0.7
345.11389	1.1
345.15579	23.4
345.92657	0.3
346.15952	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	345.1562
Annotation	(2E,6Z)-8-beta-D-glucopyranosyloxy-2,6-dimethyl-2,6-octadienoic acid
Peak:m/z	Relative Intensity
51.56058	1.1
55.01772	2.9
57.03346	2.4
58.00478	4.2
59.01267	100.0
60.99208	1.4
67.16818	1.1
69.03317	1.5
71.01273	52.2
72.99193	5.0
73.02839	7.1
75.00757	4.5
76.79888	1.2
83.01269	5.4
85.02843	13.9
87.00774	2.9
89.02338	44.8
95.01288	2.9
98.20591	2.2
99.00752	2.4
101.02349	33.0
113.02367	20.5
113.65578	1.2
119.03418	15.3
121.10147	15.9
125.09598	1.6
131.03438	2.6
143.03445	3.0
145.02652	1.2
153.12764	8.4
161.04501	4.1
164.98232	1.3
165.09091	1.4
179.05528	3.5
179.14488	2.8
183.10214	2.9
197.11800	15.3
227.12866	4.9
229.72482	1.6
241.14482	68.3
242.14803	5.2
243.12329	2.0
259.11914	1.7
271.83597	1.3
285.13553	5.0
303.14557	4.8
343.57898	1.4
345.11218	3.1
345.15567	81.3
346.15881	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	345.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64054	0.5
57.03331	1.1
59.01262	100.0
60.01599	0.9
60.93608	0.5
60.99212	0.5
65.13910	0.5
66.49831	0.6
70.95512	1.2
71.01276	0.8
71.04916	1.2
71.46537	0.6
71.89143	0.5
72.99207	3.0
73.02840	1.1
73.66114	0.5
75.00761	4.6
97.06497	0.5
106.06516	0.9
124.07616	1.7
132.04471	8.9
133.05272	4.7
134.06062	1.4
148.03999	0.7
150.05490	0.5
152.01138	1.0
162.80983	0.4
165.04286	4.5
168.69518	0.4
177.04234	0.7
183.10222	1.9
186.09262	0.7
188.30429	0.5
209.03343	1.1
213.06728	0.7
214.12361	1.8
215.11931	2.1
223.13390	1.1
225.11330	1.3
227.12892	6.5
228.13152	0.6
229.09648	0.8
241.14464	65.2
242.14786	4.6
243.12402	2.1
255.11453	0.8
257.12958	4.8
275.45471	0.5
283.10895	1.7
285.13492	5.8
301.12009	2.5
303.14499	7.2
345.10989	14.6
345.15594	15.5
346.11304	1.6
346.15839	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	345.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71451	0.6
57.03337	1.0
59.01263	100.0
60.01585	1.1
65.79693	0.6
69.03335	0.8
69.98621	0.6
71.01279	0.9
71.04923	0.7
71.18181	0.6
72.99209	1.9
73.02841	2.4
75.00774	5.3
83.98701	0.6
90.40696	0.7
96.95910	0.8
98.20562	1.9
108.02083	1.4
111.13468	0.6
120.99627	0.8
142.43808	0.8
147.68597	0.6
151.00342	2.8
152.01105	2.4
169.01393	2.4
181.12415	0.7
184.33482	0.6
187.09761	1.3
223.13298	0.8
225.11320	1.1
227.12892	6.0
229.81271	0.7
241.14468	95.3
242.14789	6.0
243.12373	2.5
243.14850	0.7
257.13904	1.0
285.13504	8.2
290.64474	0.6
303.14566	9.8
304.14728	0.7
312.45132	0.6
337.60803	0.7
345.04770	1.0
345.11948	1.0
345.15607	25.7
346.15881	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	345.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03321	0.7
59.01265	4.9
60.47224	0.5
68.99697	0.7
71.01254	2.0
71.56350	0.9
71.56715	0.8
73.02846	1.0
75.00765	1.0
80.74549	0.5
85.02866	0.8
96.95903	0.7
99.00796	1.1
103.26247	0.7
113.02348	0.9
116.04952	0.8
118.06544	0.7
119.03671	1.4
122.02354	0.7
122.06034	2.1
123.03156	1.2
124.07560	2.1
131.03638	1.6
132.04431	1.9
134.05995	1.2
135.04370	0.7
144.04503	3.8
145.05255	11.0
146.02377	1.1
146.06064	4.1
147.03169	1.7
148.03961	3.1
149.20892	0.6
152.03496	1.7
159.03177	4.6
160.03987	53.8
161.04770	24.1
162.05367	2.7
164.03499	1.6
174.01973	1.0
175.02655	2.4
176.03487	12.3
177.04279	7.0
183.13902	0.8
187.32899	0.7
188.03520	3.6
189.04285	61.4
190.04749	4.1
192.02898	4.1
193.03769	20.6
194.04076	1.0
203.05846	2.3
212.04608	0.6
220.02686	0.6
220.06163	0.8
221.03371	16.9
221.06914	26.7
222.03697	1.1
222.07260	1.7
229.14174	0.7
235.04832	0.9
241.14459	0.8
245.13011	5.3
246.13339	0.7
253.05954	9.5
254.06081	0.8
269.13013	25.5
270.13232	2.8
285.12531	2.9
301.20517	1.2
313.12003	41.5
314.12296	4.5
345.14600	100.0
345.22955	3.3
346.11047	1.0
346.14960	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	345.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28037	0.6
54.40883	0.6
55.01761	2.5
55.92766	0.7
56.14515	0.7
57.03320	3.1
58.00461	2.3
59.01263	79.2
60.01594	0.9
60.99168	0.9
61.98696	1.3
66.25272	0.7
67.01773	0.7
69.03339	1.0
71.01269	55.3
71.04908	1.7
71.58908	1.3
72.01633	0.9
72.99194	3.9
73.02506	0.8
73.02839	9.9
75.00758	2.2
82.35505	0.8
83.01269	6.3
85.02840	17.7
87.00761	1.8
89.02338	26.9
95.01283	4.1
96.95871	0.9
99.00775	4.2
99.04400	1.0
101.02347	32.1
103.00297	1.1
108.04433	0.9
113.02351	16.9
119.03410	12.4
121.10142	6.2
125.02386	1.3
125.09628	2.2
131.03401	0.9
132.04504	0.9
139.07594	0.7
143.03398	1.5
152.01065	1.1
153.11594	1.4
153.12775	15.7
159.02904	1.8
160.69225	0.9
161.04515	4.9
165.09160	5.0
167.10699	1.3
176.03546	0.9
179.05441	1.0
179.14374	1.2
183.10202	2.6
195.13748	1.3
197.11813	34.1
198.12085	1.9
201.11287	1.5
227.12801	2.0
241.10818	1.3
241.14464	33.2
242.14832	2.5
243.12401	0.9
259.11789	2.3
285.13571	2.0
301.12512	1.6
303.14594	1.9
345.15552	100.0
346.12299	0.9
346.16046	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	345.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.3
57.03320	3.7
58.00463	3.4
59.01263	90.0
60.99174	1.6
71.01270	50.7
71.04906	1.3
71.55508	2.0
72.99208	5.3
73.02837	10.2
75.00736	2.5
79.27850	1.1
83.01286	5.5
85.02448	1.1
85.02852	15.9
87.00744	2.4
89.02333	27.8
95.01273	3.6
97.06481	2.3
99.00773	3.8
101.02344	36.0
103.00256	2.0
113.02354	19.3
119.03410	13.7
121.10138	8.5
125.09657	1.7
142.68871	1.1
152.01106	1.2
153.12787	14.7
159.02956	1.1
161.04495	5.9
165.09140	5.0
179.05518	1.9
179.14308	3.2
181.12332	1.4
183.10220	1.9
195.13884	2.4
197.11813	32.4
198.12019	2.1
211.35574	1.1
223.13322	1.3
227.12857	4.8
241.14465	52.7
242.14757	3.9
259.11880	3.1
283.11020	1.4
285.13455	3.0
301.12851	2.6
303.14520	4.8
327.13693	1.9
345.11252	4.8
345.15567	100.0
345.95627	1.3
346.15900	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	345.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39275	1.0
59.01263	25.6
71.01271	11.9
71.36212	1.5
72.99171	1.7
73.19642	1.0
75.00758	2.2
77.48615	1.1
85.02852	2.0
89.02334	9.9
95.03655	2.5
95.30638	1.0
96.08065	1.4
101.02335	7.7
104.04952	1.5
106.06509	6.3
108.02077	1.8
113.02366	4.8
119.03410	5.1
121.10136	1.7
122.05998	4.2
124.07593	9.5
132.03468	2.3
132.04478	46.3
133.05270	29.9
134.06075	7.9
148.03917	1.8
150.05548	2.3
152.01106	2.9
153.12775	1.8
161.04555	1.3
165.02908	2.4
165.04259	32.4
166.04599	1.5
176.03392	1.6
177.04272	4.9
178.05028	1.6
184.22409	1.3
186.09224	6.1
187.08563	1.5
197.11874	2.9
209.03275	9.6
212.10690	1.0
213.06754	3.6
214.12379	9.8
215.11885	8.5
227.08269	1.5
229.09834	4.6
240.10356	3.3
241.09898	4.6
241.14500	8.7
257.13013	43.2
257.15744	2.4
258.13394	3.5
259.11847	1.4
283.10931	10.2
285.13596	1.8
301.11975	32.9
302.12387	2.4
303.14587	1.8
327.09995	2.9
344.61432	3.2
345.11011	100.0
345.15475	9.9
346.11276	9.9
346.14948	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	345.1099
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
59.01268	8.0
61.28575	0.6
63.02724	0.5
70.58290	1.7
71.01279	0.9
75.00790	0.7
85.94833	0.5
94.02868	0.7
95.03660	2.2
96.08114	1.9
97.01589	0.8
97.54237	0.6
98.12440	0.5
104.04947	1.4
106.06530	5.5
120.04504	0.9
122.06030	2.3
124.07602	7.3
127.60396	0.5
132.04486	31.1
133.05283	18.3
134.06070	5.2
138.05542	0.6
146.02406	0.8
148.03926	1.3
150.05557	1.7
153.12730	0.7
154.22504	0.6
165.04268	18.0
166.79437	0.5
176.07103	0.7
177.04205	2.7
178.05025	1.5
183.10246	0.9
184.07726	1.3
185.08388	0.8
186.09256	4.4
197.11723	1.3
198.09232	1.0
209.03300	3.8
213.06685	3.7
214.12375	5.8
215.11897	5.3
226.04396	0.6
226.07495	1.4
227.08058	0.9
229.09859	3.0
230.24931	0.7
240.10417	1.2
241.09882	2.5
241.14568	6.7
257.12994	19.0
258.13300	1.6
283.10944	7.1
284.11221	0.6
285.13705	0.6
301.12003	16.1
301.15408	1.1
302.12372	1.2
327.09891	1.0
327.83920	0.6
345.10989	100.0
346.11258	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	343.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03346	0.5
59.01256	1.0
61.53949	0.3
69.84391	2.2
76.58277	0.4
78.10166	0.3
81.02912	0.4
84.33275	0.3
107.18490	0.4
108.32949	0.4
121.10140	10.2
122.10440	0.4
125.09657	0.9
127.11211	2.1
137.09651	2.2
139.11229	2.4
150.01067	0.4
153.09035	0.4
165.09106	0.5
171.10216	59.5
172.10593	3.1
246.05418	0.9
293.21429	1.1
313.00027	0.5
314.48688	0.4
328.02267	0.8
343.24942	100.0
344.15106	1.3
344.25275	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	343.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97217	0.2
57.03326	0.3
59.01255	1.7
62.28682	0.2
69.03344	1.5
69.86086	0.4
69.86494	0.8
71.01271	0.4
71.04918	0.3
75.00720	0.3
78.95794	0.2
81.03350	0.3
83.04907	1.0
85.02819	0.3
95.04862	0.3
97.06477	0.6
98.20499	0.3
99.08055	6.9
109.06495	0.6
111.08099	0.3
113.09635	0.2
121.02871	0.3
121.10133	3.3
125.09615	1.6
127.11190	0.8
137.09645	1.5
139.11206	0.8
147.11699	0.2
149.13292	0.5
151.11230	0.4
153.09070	0.3
155.10747	0.2
159.14789	0.2
164.03429	0.2
165.09167	0.3
165.12788	0.8
167.10742	0.2
171.10217	23.5
172.10577	1.1
175.11200	0.7
183.13992	0.2
185.11771	0.2
193.12305	11.9
194.12633	0.8
195.13835	0.3
197.15451	0.5
207.13991	0.3
209.11703	0.3
211.13383	2.4
225.14952	16.6
226.15349	1.3
233.69601	0.2
243.16003	5.9
244.16350	0.3
289.18167	6.8
290.18484	0.9
293.21371	2.6
294.21585	0.3
297.97827	0.2
299.19739	0.2
307.19214	0.8
311.22375	0.6
312.99957	0.5
318.21695	0.2
325.24020	0.6
328.02286	0.6
343.24936	100.0
344.15170	0.7
344.25275	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	343.2496
Annotation	Tianshic acid methylester
Peak:m/z	Relative Intensity
51.43509	0.4
52.98866	0.4
57.03333	0.5
59.01264	0.8
66.55343	0.3
69.03336	1.1
69.52311	0.4
70.14600	2.1
79.62950	0.5
83.04925	0.6
91.24223	0.4
99.08064	6.3
121.10144	4.8
125.09646	1.8
127.11201	1.1
137.09666	1.6
139.11169	0.8
153.12773	0.5
164.76767	0.4
171.10236	33.3
172.10550	1.0
175.11253	0.7
193.12328	8.9
194.12671	0.6
211.13362	2.7
225.14972	12.5
226.15338	1.1
243.16043	4.6
293.18390	0.4
293.21188	2.2
299.21710	0.4
302.61823	0.4
311.22501	0.9
343.24957	100.0
344.25305	10.9
350.34708	0.4
350.58527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45476	0.4
53.62828	0.3
55.60940	0.4
57.03325	1.9
59.01265	22.9
69.03338	0.7
69.77662	2.8
71.01240	1.4
71.04891	1.4
72.99187	0.4
75.00739	0.7
77.04111	0.4
80.38665	0.4
81.06185	0.4
83.04902	0.5
85.06483	0.5
97.06477	3.0
100.85369	0.4
105.27059	0.4
111.08027	0.7
113.09600	1.0
113.56845	0.3
121.02830	0.8
125.05974	0.5
125.09606	0.6
127.11185	0.7
129.09190	0.4
135.11682	0.6
155.10680	1.4
157.12289	6.4
177.16417	1.5
185.12021	0.5
195.45895	0.4
237.18616	2.9
239.77049	0.4
265.17975	0.7
283.19211	21.7
284.19568	1.7
297.97495	0.4
301.20264	100.0
302.20587	10.8
313.00037	0.6
333.68155	0.4
343.04425	0.5
343.21323	24.5
343.24683	1.0
344.15128	1.7
344.21835	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	343.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43868	0.4
57.03279	1.6
57.03522	0.4
59.01206	27.5
60.01570	0.4
66.17767	0.4
68.99661	0.5
69.03307	0.8
71.01208	1.4
71.04905	3.9
71.55964	0.3
72.99147	0.9
75.00735	0.8
75.44711	0.4
80.04893	0.8
83.04847	1.2
85.02774	1.1
85.06415	1.8
91.40749	0.4
95.04877	0.7
96.74550	0.4
97.06492	3.2
99.08016	0.7
107.04812	0.4
111.07997	0.6
113.02324	0.5
113.09615	0.5
115.07576	4.4
121.02826	0.8
121.10116	0.5
125.09585	0.6
127.11123	0.6
129.09041	1.5
132.04466	2.8
136.07582	1.9
137.09579	0.6
139.11150	1.2
143.06969	0.5
150.05516	0.5
155.10614	0.9
157.12279	4.7
163.14880	2.4
171.10081	0.7
209.11583	0.4
237.18611	1.5
263.09036	0.5
281.12930	1.7
283.19193	19.9
284.19592	1.7
297.97629	0.6
299.13925	0.8
301.20251	100.0
302.20563	8.7
302.23755	0.7
313.00137	1.0
328.02228	1.2
343.21332	25.1
343.24860	1.3
344.15167	1.7
344.21588	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	343.2131
Annotation	Gallicynoic acid F
Peak:m/z	Relative Intensity
52.68364	0.5
54.39361	0.5
57.03323	3.2
59.01266	9.1
61.42553	0.6
61.98707	0.6
69.03339	1.6
71.01266	1.7
71.04918	3.3
71.55749	0.7
73.02827	1.2
75.00761	1.6
80.74874	0.5
81.03347	0.9
81.92362	0.5
83.04905	3.1
84.02068	3.7
85.02829	3.1
85.06487	2.2
87.04408	2.7
93.63432	0.6
95.04929	6.7
97.06464	3.5
99.04372	0.7
106.04155	1.4
108.04434	1.1
109.02849	0.8
109.06500	1.5
111.04420	1.1
113.06047	1.4
113.95269	0.5
117.42888	0.6
121.02910	1.0
122.06048	1.6
123.08088	1.3
125.09637	2.4
127.11220	1.8
135.08095	2.4
149.04761	1.8
150.05544	8.9
151.05777	0.7
153.09171	0.8
160.03914	0.7
161.02539	0.6
163.11313	1.0
167.14348	1.1
171.10216	26.1
172.10587	1.0
177.12869	1.0
183.13841	3.1
185.11829	1.3
193.12318	1.1
195.13884	0.7
201.11264	1.7
209.11868	4.2
211.13356	13.0
212.13599	1.1
221.11836	1.4
225.11201	0.8
229.14461	17.9
230.14772	1.3
237.14995	6.5
239.12926	4.0
245.19188	0.7
249.14955	2.4
255.16069	1.3
267.16205	0.7
289.18176	2.0
299.14001	5.1
307.19110	1.5
309.33755	0.7
313.00095	0.9
325.20215	5.2
328.02353	0.9
343.21307	100.0
344.15012	2.7
344.21640	11.3
356.74762	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38173	1.4
57.03328	3.9
59.01265	100.0
60.01587	1.6
60.99195	1.6
69.03355	1.8
70.47623	2.7
71.01276	4.5
71.04903	10.4
72.99190	4.1
73.02824	2.8
75.00774	16.2
79.94647	1.3
82.72165	1.3
83.04907	3.4
87.04394	1.8
89.02327	1.7
95.04941	1.4
97.06480	3.0
107.08622	1.5
107.54562	1.4
109.06490	4.4
117.01830	1.8
118.97978	3.8
121.02859	2.8
123.07989	1.7
138.05545	1.8
140.07121	3.3
141.05501	1.8
152.01079	2.1
160.08618	1.3
177.12788	5.6
221.11858	2.4
225.11336	8.0
237.07347	1.4
239.12906	24.3
257.13928	1.5
265.10959	2.1
277.33838	1.5
283.11951	26.5
297.97839	1.6
301.12985	40.7
302.13263	4.2
312.99988	3.2
328.02347	2.7
343.04718	1.6
343.10892	1.5
343.14163	15.0
343.17859	2.3
344.14984	4.2
344.24588	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96871	13.9
55.61944	12.1
59.01258	100.0
61.98720	20.1
70.36605	42.1
70.37031	22.2
77.16496	12.1
78.95806	14.5
83.04912	13.3
102.50362	11.3
106.25246	11.2
121.02871	30.6
123.00828	11.4
171.10147	14.0
179.22182	16.0
199.13559	13.4
201.02493	18.5
269.98047	17.0
285.00330	12.9
289.18149	72.3
297.97635	35.7
307.19226	92.6
312.99835	65.0
328.02301	60.9
343.04630	35.9
343.15741	26.0
343.24942	29.1
343.28613	19.1
344.15021	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00233	0.4
57.03323	0.3
59.01264	18.6
60.01593	0.3
68.01302	2.3
69.03341	0.3
69.59166	0.8
69.59580	0.5
70.02885	0.2
71.01274	1.4
71.04907	0.4
72.99193	0.4
73.02847	0.9
75.00761	0.9
81.11529	0.2
83.01267	0.4
85.02848	0.5
94.06492	0.2
94.57484	0.2
95.04942	0.3
96.04446	0.5
98.19829	0.2
98.20376	0.5
101.02345	0.9
103.00257	0.2
108.02101	0.8
109.02864	0.4
109.06511	0.6
113.02354	0.6
118.98008	0.3
122.02399	0.9
123.03175	7.5
124.04020	0.2
124.07603	0.4
125.05970	0.2
133.02916	0.2
135.14111	0.2
136.07622	0.5
137.04758	0.5
138.05536	100.0
139.05894	3.9
146.03555	0.2
148.83618	0.2
149.09654	0.3
152.01079	2.2
152.03624	0.2
152.07103	0.6
152.99487	0.2
153.01810	0.2
154.84464	0.2
161.04462	0.3
167.05801	0.8
167.10713	0.2
167.15564	0.2
168.06636	0.3
180.06619	4.0
192.06619	0.5
195.10222	0.8
210.07727	0.2
211.09726	0.4
221.11688	0.2
222.07790	0.3
223.05453	0.3
225.11398	0.3
239.12915	1.7
281.13144	0.2
282.09937	1.2
283.12003	0.5
285.03928	0.2
300.11005	1.7
301.13052	0.4
315.07135	0.3
330.67947	0.2
342.12012	9.0
343.04565	0.2
343.12405	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	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03338	0.5
59.01264	2.1
69.03341	1.9
70.48524	0.2
70.48865	0.8
71.01269	0.7
81.03333	0.4
83.04923	1.2
84.02062	3.4
85.02828	0.4
86.30846	0.2
89.02334	0.5
90.85641	0.2
95.04939	0.6
96.99789	0.2
97.01049	0.2
97.02849	1.3
97.06487	11.4
98.06808	0.3
99.04401	0.9
111.08038	0.3
113.02369	0.3
121.10155	0.3
125.09634	1.7
127.11195	0.5
137.09642	1.4
149.13234	0.5
151.11238	0.5
152.42065	0.2
159.11722	0.2
163.11211	0.3
165.12791	0.9
171.10222	10.1
172.10545	0.4
175.11249	0.8
177.12805	0.4
182.87917	0.2
183.13835	0.7
185.11743	0.6
193.12321	16.5
194.12672	1.4
197.15414	0.6
203.10822	0.3
207.13892	0.2
209.11873	0.2
211.13393	3.0
212.13672	0.3
221.09834	0.2
221.11754	1.3
225.14967	21.0
226.15221	1.7
239.12837	0.3
243.16040	8.8
244.16348	0.7
253.14485	0.9
272.16312	0.4
291.19772	1.3
305.21326	0.5
323.22345	0.4
341.23386	100.0
342.23743	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	341.234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33028	0.3
52.42398	0.3
56.91533	0.3
57.03319	0.3
59.01258	1.7
69.03329	2.0
69.38426	0.3
71.01273	0.6
71.14256	0.7
76.49106	0.4
83.04929	0.5
84.02057	15.7
89.02343	0.7
97.02835	4.6
97.06483	2.9
99.04407	3.0
101.02354	0.6
119.08586	2.1
120.11810	0.3
125.09620	1.0
127.11209	1.3
135.08110	1.2
137.09636	2.3
151.11230	0.4
153.09166	0.7
171.10213	46.6
172.10556	2.7
179.05562	0.5
193.12309	3.7
211.13405	0.6
225.14931	4.4
226.15202	0.6
235.71132	0.3
239.12733	0.4
243.16112	2.3
253.14421	0.6
291.19614	1.3
341.23370	100.0
342.23709	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	341.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69552	1.4
56.58935	1.5
57.03312	3.0
58.00475	3.7
59.01264	36.8
61.98711	1.8
69.03364	9.2
71.01270	26.4
71.36160	3.1
72.99188	2.2
85.02837	4.7
89.02329	22.8
97.06481	3.3
101.02319	11.6
105.46447	1.5
107.18172	1.6
109.06506	1.9
113.02368	8.4
119.03431	9.6
119.08569	12.3
125.09656	3.9
127.11185	3.6
135.08087	3.1
137.09642	49.6
138.10016	2.8
161.04468	3.2
171.10219	100.0
172.10521	5.0
179.05605	11.2
179.07077	2.6
183.01208	3.1
193.12183	1.7
201.11307	30.0
213.14977	1.7
238.36833	1.5
273.18579	6.9
281.12280	3.0
291.19632	11.0
309.20773	29.6
310.21112	3.3
323.22229	2.2
341.10757	13.9
341.18057	7.3
341.23364	62.1
342.23651	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	341.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92634	2.3
56.98843	2.0
57.03335	5.4
58.00478	2.8
59.01264	42.1
71.01275	26.4
71.04901	3.0
71.59045	2.7
73.02834	9.0
75.00755	2.9
80.02569	1.9
83.01259	2.2
83.04914	4.6
84.02071	2.0
85.02850	9.6
87.00801	2.7
89.02330	23.5
89.02882	2.7
93.03333	2.0
95.04924	28.2
96.05249	2.0
97.06476	6.7
98.51017	1.9
99.00767	3.7
99.08051	5.7
100.01557	11.1
101.02337	11.4
107.04939	3.9
109.06487	5.4
110.03712	2.7
111.04419	2.4
111.08039	3.8
113.02338	9.1
113.05979	3.2
113.09638	19.9
115.07570	12.6
119.03421	8.8
121.02875	17.5
121.06495	2.6
123.08044	4.6
125.06020	5.8
125.09586	4.6
127.07570	29.2
127.11191	3.2
135.08115	2.6
139.07555	15.4
141.09119	7.4
149.02415	3.2
151.07603	5.1
151.11250	17.2
153.09116	2.1
153.12709	2.3
155.10727	2.6
161.04568	3.6
163.11206	7.2
167.10736	5.8
169.08670	31.0
169.12257	7.0
171.10210	100.0
172.10545	4.2
173.05966	3.1
179.05551	12.9
179.07054	4.3
181.12263	2.5
185.11797	10.8
186.03174	2.8
187.07550	3.1
195.10283	4.4
197.11777	3.2
199.07597	2.3
199.13362	5.8
201.11311	8.2
207.10257	21.2
209.11769	8.7
213.11304	8.7
214.02788	3.7
215.07031	4.3
215.12834	3.9
225.11325	21.1
227.12892	23.9
228.13203	2.6
235.20653	3.4
239.12802	2.1
243.06618	7.9
261.18652	3.0
279.19681	14.9
280.19958	2.8
281.12561	3.7
295.19293	2.1
297.20740	3.5
305.17752	9.5
323.18701	8.8
341.07056	3.7
341.10324	12.1
341.14368	22.5
341.19873	4.6
341.23456	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	341.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.74903	3.7
59.01267	99.0
67.64268	3.7
69.25105	18.2
69.25532	27.0
71.00902	6.9
71.01270	100.0
73.02846	4.0
81.03343	6.8
85.02871	6.2
89.02342	52.1
97.02850	5.9
97.06476	12.0
101.02367	28.1
109.06503	48.6
113.02368	19.7
119.03395	22.7
121.06537	5.5
130.37256	3.6
131.03343	4.0
135.08069	6.9
136.44206	3.6
142.02611	5.6
143.03401	9.2
161.04515	8.3
163.11230	22.9
171.10225	12.3
179.05646	24.1
179.07091	6.7
179.37679	4.0
179.64944	4.1
180.34091	4.0
181.12305	11.3
193.24628	4.2
199.09750	6.3
207.10248	52.8
225.11310	8.8
253.82436	3.7
270.60281	4.9
281.12598	6.7
341.10928	33.2
341.23355	17.0
341.27026	5.1
342.23907	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	341.161
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41087	0.8
57.03339	2.5
58.00485	0.7
59.01262	100.0
60.01600	1.7
63.35944	0.7
69.03362	1.3
71.01257	7.1
71.01566	0.7
71.04894	5.1
72.99193	12.6
73.02837	2.3
75.00753	5.8
79.05436	1.0
80.02575	2.4
81.03349	2.0
83.04911	1.5
84.02055	0.7
85.02837	1.4
86.37142	0.9
87.00811	0.8
89.02330	5.7
93.03376	0.8
95.04920	4.0
97.02872	0.8
97.06491	2.5
101.02370	3.0
107.04280	0.7
107.04953	2.5
108.02124	0.7
109.06506	2.4
111.29963	0.7
113.02379	1.2
113.06012	1.4
113.82371	0.7
119.03459	1.2
119.08560	0.8
120.05735	1.0
121.06509	3.2
133.06570	1.5
135.08084	7.6
143.03490	0.9
147.91931	0.7
156.05719	0.9
158.03723	3.0
159.04460	2.6
159.08058	1.1
161.04530	1.0
170.02472	0.7
170.03700	4.3
171.04449	1.5
171.08125	3.4
171.10236	1.4
172.05228	2.1
173.06015	1.6
175.04015	0.9
179.05620	1.3
179.07037	0.9
179.14391	1.0
184.05318	1.0
186.03215	6.0
186.06836	2.8
187.03842	1.0
187.07581	7.3
187.11238	4.1
188.08257	0.9
199.03986	0.9
199.07651	3.5
200.04839	1.7
201.05553	1.3
201.11311	1.1
205.12311	14.3
206.12819	1.1
209.11826	0.9
211.13438	0.8
214.02710	10.7
214.06325	1.9
215.03397	2.1
215.07150	8.3
216.07814	1.2
223.13356	1.0
225.05586	2.0
225.11398	1.4
227.03317	0.9
227.12917	3.0
228.04424	1.0
243.06650	26.2
244.07306	5.3
249.11357	3.9
267.12408	5.6
269.11865	1.1
281.14130	5.3
283.09750	2.5
287.16510	1.1
299.11563	1.9
299.15027	33.8
300.15472	3.0
305.17618	1.2
312.10165	3.7
323.18521	0.8
341.14001	44.2
341.19717	3.0
341.23459	2.3
342.14343	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1094
Annotation	D-(+)-Trehalose
Peak:m/z	Relative Intensity
55.01755	1.1
56.07387	0.4
56.93938	0.4
57.03333	2.2
58.00483	3.6
59.01262	100.0
60.01591	1.2
70.08642	1.6
71.01266	80.1
72.01598	1.6
72.99194	5.3
73.02823	3.6
73.71205	0.5
75.00771	1.6
76.06664	0.5
79.86290	0.5
83.01282	2.5
85.02843	10.2
86.03217	0.5
87.00771	5.6
89.02334	91.4
90.02660	0.9
95.01295	4.1
96.12139	0.5
96.95871	0.7
96.96848	0.8
97.02840	0.9
98.20483	0.6
99.00769	1.3
101.02341	38.9
102.02692	0.8
107.03414	0.7
107.04916	2.8
109.02887	0.9
113.02351	30.4
114.02686	0.8
119.03409	34.2
122.60928	0.6
125.02362	1.1
131.03409	5.8
135.04440	7.1
136.04828	0.5
139.29451	0.5
143.03429	10.2
145.57056	0.6
149.04482	7.1
161.04492	14.2
162.04771	0.5
177.01939	1.0
178.02246	0.5
179.03499	6.6
179.05576	41.5
180.05911	1.7
188.47333	0.5
211.04526	0.5
241.48109	0.5
267.07227	0.6
267.94495	0.6
281.09058	0.8
281.12366	0.5
338.38834	0.5
341.10983	58.1
342.08063	0.4
342.11404	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	339.2334
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
51.28370	0.3
99.90926	0.3
128.74895	0.3
151.87535	0.4
163.11230	100.0
164.11557	5.4
177.31929	0.3
210.20441	0.4
339.23343	50.5
340.23669	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	341.0884
Annotation	Grevilloside F
Peak:m/z	Relative Intensity
59.01266	9.5
71.01265	5.3
71.55982	1.5
75.00780	1.2
78.20596	0.9
85.02869	1.1
88.20432	0.8
89.02311	4.3
91.05428	4.0
93.03358	1.4
101.02342	3.6
107.04927	2.7
109.02900	0.9
113.02368	1.8
116.08752	0.8
119.03407	1.5
123.04479	1.0
134.03664	2.2
135.04445	100.0
136.04745	5.1
137.02336	1.1
143.03392	1.1
149.05991	2.3
150.06801	8.2
161.04413	1.3
165.05647	0.9
178.06319	8.3
179.03458	48.5
179.06943	5.3
180.03758	1.9
187.42781	0.8
341.08386	5.8
341.12601	2.0
345.12378	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2183
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
56.87970	0.9
57.03325	3.7
59.00994	1.3
59.01263	17.6
59.50425	0.8
64.26865	0.8
69.03343	1.2
71.01286	2.1
73.02775	1.1
76.52116	0.8
78.26507	0.8
81.03329	3.2
83.04908	1.5
95.01266	1.0
95.04914	2.6
97.02847	5.2
97.05877	0.9
97.06474	3.1
97.16754	0.8
98.03591	1.4
101.02341	0.9
109.02871	0.8
109.06536	2.1
110.03659	1.3
111.08031	1.2
111.38406	0.9
121.06507	1.5
123.04446	5.3
123.08074	3.4
125.05968	1.2
125.09615	7.3
127.07573	1.6
135.08090	2.3
137.09650	5.8
139.07550	2.2
141.12807	2.2
142.18419	0.9
142.96078	1.0
149.06026	2.1
155.10707	2.3
161.09688	1.3
162.10522	1.1
163.07579	1.6
163.11250	9.6
164.08340	0.9
165.09180	1.5
165.12679	1.3
167.10684	0.9
171.10179	2.7
177.02002	1.3
177.12703	2.1
179.10788	2.4
180.26929	0.9
181.12314	2.8
181.93741	0.9
185.11786	12.9
191.10768	2.9
191.14400	11.6
207.10243	6.6
209.11703	1.1
217.15952	1.2
221.11717	1.0
225.11340	6.7
226.11734	1.7
241.14433	1.4
245.19130	33.5
246.19363	2.4
246.50070	0.9
247.17039	1.2
263.20041	1.2
271.17099	2.6
289.18149	100.0
290.18481	8.6
307.19202	36.3
308.19534	2.9
321.17340	1.2
321.20825	10.1
322.21085	1.0
324.19464	5.3
339.21805	79.7
340.15970	1.1
340.22202	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	339.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.76268	1.0
57.03337	2.4
59.01265	100.0
60.01589	1.2
63.05391	1.0
65.09257	1.1
69.03346	2.4
71.01267	2.8
71.04910	9.0
71.56283	1.7
72.99196	11.3
73.02819	3.2
75.00771	5.6
76.53762	1.1
77.23025	0.9
78.95813	1.0
81.03365	2.0
81.64230	1.0
83.04917	2.1
85.02819	1.0
85.46291	0.9
95.04917	3.0
97.02843	1.5
99.04426	1.2
107.04907	1.1
109.02809	1.2
109.06497	3.0
113.05930	1.0
125.09695	2.2
159.86362	1.2
163.11284	1.6
167.07140	1.4
167.10684	2.5
171.10222	4.4
177.60352	1.2
184.05276	1.8
185.11671	1.3
191.14427	1.4
196.39679	1.3
209.11768	2.1
212.04855	7.3
241.08937	2.2
253.14444	1.6
263.13068	1.4
279.16089	30.5
280.16486	2.9
297.17142	42.7
298.17374	3.7
303.15933	3.3
307.47855	1.1
321.17041	4.0
339.15424	1.6
339.18536	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1818
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03317	0.8
59.01257	7.5
61.98708	0.7
69.84501	0.6
69.85940	3.5
71.01253	1.0
72.99192	2.7
85.80886	0.6
97.06485	3.2
101.02327	1.1
125.06003	18.7
143.07068	67.5
144.07368	2.7
151.11220	14.1
152.11568	0.9
153.07063	0.7
167.10712	1.4
169.12283	100.0
170.12622	6.1
171.10197	1.3
177.01759	0.6
183.01161	1.9
183.98946	0.6
195.10165	0.7
213.11307	96.5
214.11655	6.7
219.12860	0.6
245.19116	1.8
279.10825	1.2
289.18082	0.7
290.19778	0.5
339.18329	14.5
340.18497	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	339.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61497	0.3
57.03340	0.5
59.01262	100.0
60.01597	1.4
61.33495	0.3
63.43639	0.4
66.56254	0.3
68.38044	0.3
70.02428	0.5
70.02825	1.2
71.01266	3.3
72.99216	0.5
73.02846	1.4
75.00767	4.7
83.01269	0.6
85.02864	1.6
89.02335	0.9
93.77311	0.4
96.95909	0.6
98.20299	1.0
99.00797	0.4
101.02353	2.9
113.02375	1.0
117.96387	0.3
122.06010	0.5
124.07664	0.5
135.04436	0.8
136.07613	0.6
137.18398	0.3
150.09300	0.4
159.02959	0.6
161.04492	2.4
177.01923	1.0
262.73840	0.4
277.11975	0.8
279.14569	3.8
280.14917	0.5
285.12662	1.0
296.15216	0.8
303.13669	0.7
312.38766	0.3
339.11963	0.8
340.14038	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0728
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.46541	0.3
59.01265	4.8
65.00207	1.2
65.03835	1.2
67.01763	0.8
69.26276	2.8
69.26701	1.0
70.20862	0.3
71.01269	1.2
75.00769	0.9
80.02582	0.7
91.01791	50.5
92.02129	1.7
93.03352	0.4
95.01326	0.4
96.95915	0.6
98.19659	0.4
101.09155	0.4
102.81724	0.4
107.01315	0.6
108.02065	1.7
109.02862	14.7
113.02338	0.4
116.96435	0.3
121.02895	1.7
123.04472	0.6
123.08054	0.3
133.02855	1.8
135.00809	100.0
136.01097	2.7
137.02380	3.4
138.71318	0.4
149.02347	1.2
151.03926	0.4
153.01875	62.2
154.02229	2.1
161.02377	1.7
163.03973	0.4
177.01897	1.7
189.01945	1.7
193.82632	0.3
215.09416	0.3
279.05261	1.0
285.04153	1.2
297.06149	1.1
297.11835	0.4
297.16824	0.4
310.12097	0.4
339.07281	34.5
340.07700	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	339.0727
Annotation	AESCULIN
Peak:m/z	Relative Intensity
52.58416	0.1
57.17113	0.1
57.52826	0.1
59.01256	0.4
70.94058	0.3
70.94383	0.2
81.03337	0.3
89.03854	1.2
95.04887	0.2
104.02574	0.4
105.03363	2.5
107.01315	0.2
124.39910	0.2
133.02872	7.2
134.03232	0.2
139.15274	0.2
141.00436	0.2
148.01611	0.5
149.02365	0.5
176.01105	1.1
177.01880	100.0
178.02222	4.5
202.40579	0.2
336.11722	0.2
339.07245	11.9
340.07544	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	337.2028
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
54.55168	2.7
57.03333	5.7
59.01263	47.8
69.03337	3.7
69.41770	12.3
69.42200	12.3
71.01279	5.6
73.38126	2.8
78.39182	2.6
80.02591	3.1
83.04934	3.7
85.02872	3.6
93.03394	3.2
95.04910	7.2
97.02850	3.4
97.06508	6.3
99.04422	4.1
102.15296	2.6
102.39520	2.7
107.04938	41.1
109.06501	4.2
111.04437	4.4
119.04924	3.2
121.02796	3.8
123.04443	16.0
125.02339	4.4
125.05988	14.5
125.09631	23.9
135.08080	24.7
137.06027	12.4
137.09755	2.8
147.04422	4.6
153.09146	22.8
161.05998	3.7
161.09666	3.8
163.11243	6.0
164.68832	3.2
176.08380	8.2
185.11771	20.3
189.09109	2.9
189.12796	6.7
191.10780	17.0
197.11812	5.6
207.10312	5.0
209.11816	2.7
217.12350	8.2
223.13394	3.1
239.12726	4.8
243.17543	35.3
244.17950	5.1
255.23265	5.0
261.18677	6.9
267.12439	7.7
277.09213	2.9
287.16547	37.5
288.16818	3.4
293.21323	3.3
305.17609	33.7
306.17972	3.7
319.19214	100.0
319.22607	4.9
320.19537	10.7
322.17908	18.1
337.20221	42.6
337.23621	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2029
Annotation	Monacolin J acid
Peak:m/z	Relative Intensity
53.56659	2.8
57.03336	6.2
57.30133	2.9
59.01265	59.5
61.98721	5.5
68.50281	2.7
69.03339	3.3
71.01272	5.4
71.56560	2.6
71.57027	5.7
73.02840	3.0
81.03344	5.2
83.04933	5.0
84.05255	2.7
85.02830	3.1
93.03368	5.4
95.04934	8.0
96.95944	3.9
97.02810	6.0
97.06496	7.2
107.04933	46.7
109.06506	5.7
113.02389	3.8
114.22083	2.7
117.06992	2.8
119.04972	3.6
121.02841	3.6
123.00817	2.9
123.04423	19.5
123.08067	8.2
125.06007	16.6
125.09649	31.2
135.08073	30.9
137.06017	15.9
147.04416	8.0
153.09137	28.6
163.11235	9.7
176.08392	8.5
185.11790	24.7
189.09219	3.5
189.12769	7.0
190.16942	3.2
191.10719	17.7
197.11748	7.1
207.10297	9.1
209.11743	5.4
217.12352	12.4
223.13266	3.8
239.12956	4.5
243.17612	38.3
244.17796	4.4
255.23608	3.5
261.18698	4.4
267.12433	9.4
269.15482	3.9
277.09335	4.5
287.16623	46.1
288.16916	5.5
293.21432	5.5
305.17627	42.3
306.18024	6.2
319.19193	100.0
319.22952	5.1
320.19611	17.1
322.17795	15.3
337.16534	6.2
337.20343	61.3
337.23953	6.5
338.20483	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	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
55.57979	0.3
59.01263	100.0
60.01595	1.2
69.75301	0.3
71.01263	0.9
71.04885	0.5
71.27372	0.7
85.02873	0.5
89.02351	1.2
93.03393	0.5
96.95921	0.6
101.02303	0.5
113.02388	0.5
113.09573	0.4
157.08664	0.4
161.04512	0.4
168.68520	0.4
177.02078	0.4
191.05664	1.3
337.15070	3.2
338.06750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
56.18668	0.3
57.19646	0.3
57.43769	0.3
59.01264	100.0
60.01615	1.2
70.57492	1.2
71.01262	0.7
75.00771	1.2
85.02861	0.3
96.95887	0.4
112.28030	0.3
119.52755	0.4
138.05431	0.4
179.92323	0.4
337.14493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01769	0.8
57.03315	0.8
58.00478	1.3
59.01266	54.0
69.96002	3.2
71.01269	24.8
71.04901	0.6
72.99200	2.0
82.56787	0.6
83.01264	1.0
85.02843	5.5
87.00758	1.3
89.02341	25.0
95.01302	2.1
96.95924	3.5
98.20478	0.9
101.02348	16.8
113.02365	9.7
113.09633	0.7
119.03413	14.7
131.03482	1.3
143.03429	2.1
161.04485	1.5
179.05563	2.9
203.60579	0.6
215.90045	0.5
337.15112	100.0
338.15494	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	337.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03311	1.7
58.00471	3.9
59.01264	100.0
71.01271	55.2
71.55059	1.7
72.99184	3.5
73.02835	2.1
83.01262	2.0
85.02843	9.4
87.00820	1.6
89.02339	55.3
95.01279	4.0
96.95910	3.7
101.02348	37.2
101.91132	1.2
112.82165	1.2
113.02355	22.4
113.09557	1.6
119.03419	25.3
120.28031	1.3
128.67406	1.1
143.03415	2.6
179.05586	2.2
190.28287	1.2
275.32880	1.2
331.20721	1.3
337.15109	86.6
338.15381	5.0
349.60974	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61808	1.1
51.94571	1.1
55.14383	0.9
57.04838	1.1
59.01265	88.9
65.62971	1.2
69.64117	6.3
71.01261	2.0
75.00768	2.5
80.04947	5.8
87.23290	1.2
92.04964	3.2
94.06519	11.6
98.20028	3.9
101.02291	1.3
107.03679	1.3
108.04457	14.7
110.06025	2.6
113.02367	1.7
113.05992	41.1
119.03362	1.4
120.04474	8.9
122.02387	5.6
122.06044	3.8
124.07608	5.8
136.03979	3.0
138.05576	8.1
148.04028	6.2
150.05519	7.5
152.07068	2.0
154.05043	2.1
161.04474	1.6
166.05049	87.1
167.05357	4.6
182.04547	1.6
194.04588	5.0
210.04071	100.0
211.04385	3.7
215.11894	4.9
215.14508	1.1
240.09019	1.9
255.94931	1.5
275.11407	1.3
291.12497	1.4
317.11292	5.5
335.12555	35.6
335.16629	1.3
336.12958	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	335.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39904	0.6
57.03329	2.5
59.01267	4.9
71.01266	3.7
71.55119	1.1
72.99184	0.7
73.02820	1.0
75.00749	3.3
81.29924	0.6
83.04912	5.4
85.02839	1.3
89.02322	1.2
96.95841	1.2
101.02337	1.5
109.06485	1.5
109.57811	0.6
111.08067	55.2
112.08409	1.9
113.02376	3.2
117.01727	0.6
118.98244	0.6
119.03457	1.0
122.06039	0.7
129.09129	2.3
135.04413	1.3
136.07610	0.9
138.05489	0.7
152.07030	0.6
153.09113	2.4
153.43237	0.6
173.08145	100.0
174.08432	3.5
181.85648	0.6
187.09692	1.2
197.08162	5.9
215.09291	1.6
273.12607	1.7
320.29907	0.8
335.13504	3.0
335.17078	1.2
335.20950	1.3
339.33734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72012	0.3
58.99488	12.8
59.01268	3.1
68.99712	0.7
71.04928	0.5
72.00795	0.3
74.98981	2.0
75.00755	3.9
78.95815	0.7
83.01277	0.7
85.02842	0.3
91.05456	0.5
93.03333	0.4
95.04927	0.7
97.06485	0.9
99.00773	5.7
102.98496	100.0
103.05428	0.8
103.98837	1.1
105.03374	1.7
106.04161	0.4
107.04940	0.6
117.03355	0.6
119.04931	1.8
120.99563	8.3
121.02895	2.1
122.03683	0.5
129.03389	0.7
132.02103	1.4
133.02884	10.8
134.03671	7.0
135.04446	11.1
136.04787	0.5
137.02365	4.2
139.03949	1.9
139.11189	3.0
145.02924	1.0
146.03674	0.4
147.04459	13.9
148.05235	53.4
149.05562	2.5
150.03171	4.5
151.03894	0.4
152.99500	0.7
160.01617	3.8
161.02370	5.4
162.03200	1.2
163.00655	6.0
163.03937	3.4
164.04721	0.5
176.04684	0.6
177.01904	5.0
178.02681	5.8
179.03424	2.4
187.07648	0.8
191.03484	12.2
192.04259	3.5
203.11032	0.5
213.09149	0.4
217.12650	0.4
231.10341	1.0
234.11049	0.3
235.02470	2.7
236.03262	1.4
245.11908	0.6
257.08170	3.7
275.09311	3.7
276.09454	0.4
289.10965	2.2
290.11368	0.4
301.15164	0.4
333.05981	0.7
333.09802	8.6
333.13638	0.7
334.10373	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	0.6
59.01266	7.0
69.03339	1.4
71.01271	4.4
71.55518	0.7
72.99200	1.3
73.02843	1.1
75.00760	16.5
78.03355	1.4
80.04937	0.6
83.01249	0.8
85.02854	2.9
87.00750	1.0
89.02319	1.8
92.04954	2.2
94.06508	3.5
95.01288	0.9
95.04924	0.7
97.36554	0.6
99.00763	1.7
101.02340	3.3
103.04196	0.7
104.04974	3.7
105.03381	3.2
106.06522	13.3
108.04452	1.7
109.02845	0.9
113.02350	2.5
120.04459	5.7
121.05253	1.0
122.02371	1.0
122.06029	15.5
123.03165	2.4
123.06413	0.7
124.07549	0.6
131.03630	1.2
132.02115	0.9
132.04485	8.1
133.02855	1.5
134.03630	0.5
136.03943	0.7
138.05540	23.0
139.05872	0.7
142.01558	1.1
142.51758	0.9
143.45319	0.5
146.03658	1.0
147.04474	1.0
148.04034	1.1
148.05212	8.1
150.05583	2.8
151.00598	0.7
152.99507	0.6
158.03665	2.3
159.04475	2.9
160.01591	1.6
161.02414	0.6
166.04991	0.8
167.41447	0.5
171.10185	0.6
172.05229	2.2
173.06088	3.4
174.06728	0.8
174.12946	0.5
175.07617	1.3
183.04523	2.9
185.33440	0.5
187.03961	1.2
187.07616	17.1
188.08083	0.9
189.07799	1.0
189.09258	0.7
200.04752	2.2
201.05513	0.7
201.09229	0.6
202.06366	2.0
203.10855	1.3
213.05318	0.5
213.09181	6.3
214.09473	0.7
215.07175	4.3
215.11890	1.6
216.07460	0.8
217.07301	1.2
228.04303	1.1
229.08742	1.2
231.10309	4.5
241.09827	2.6
243.11371	2.4
245.11893	1.8
257.08224	18.8
258.08682	1.3
271.10965	1.1
275.09302	7.9
276.09909	0.6
285.04123	4.2
286.04456	4.9
289.12003	100.0
290.12369	9.4
333.05829	0.8
333.10803	11.7
333.15585	12.0
333.19360	0.7
334.11115	1.5
334.15939	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	333.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74227	0.2
51.86810	0.2
59.01236	0.3
64.01791	0.3
64.04201	0.2
69.42150	2.0
75.00728	0.5
78.03346	0.9
80.04926	0.5
92.04951	2.2
94.02875	0.3
94.06526	4.5
98.19859	0.6
99.00748	0.4
101.02372	0.3
102.77180	0.3
103.04106	0.3
104.04979	2.8
105.03371	2.5
106.02882	0.5
106.06527	12.7
107.03625	0.9
107.06838	0.4
108.04456	1.8
120.04465	5.8
121.05202	1.1
122.02370	0.7
122.06028	14.9
123.03169	2.1
123.06316	0.6
124.07552	0.9
131.03661	0.8
132.04475	7.8
133.02916	0.4
135.03177	0.5
136.03940	0.5
138.05533	23.3
139.05888	0.6
140.07098	0.5
144.08144	0.3
147.04422	0.6
148.03966	1.1
148.05197	3.5
150.05537	2.5
152.07069	0.4
158.09602	0.3
160.01599	0.6
161.02420	0.3
163.03877	0.3
166.05032	0.8
168.06680	0.3
174.12787	0.8
174.84474	0.2
184.11264	0.4
188.06985	0.3
189.07941	1.2
190.12387	0.3
191.03503	0.6
197.07043	0.3
200.05869	0.4
202.08746	0.4
202.12297	0.6
203.09468	0.6
213.06624	1.0
214.07329	0.6
214.26436	0.2
215.11865	1.3
217.07460	1.9
221.85115	0.3
225.10408	0.3
228.10435	0.3
229.09869	1.0
231.09045	0.6
231.11351	1.0
231.93837	0.3
232.11639	0.3
241.06123	0.3
241.09825	2.8
242.07019	0.4
242.10260	0.4
243.11441	2.1
253.10081	0.2
257.08270	0.4
259.10971	0.7
271.10934	0.9
289.11996	100.0
290.12308	7.7
331.40628	0.3
333.10986	9.8
334.11246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0985
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03335	0.9
59.01260	1.9
69.40023	3.5
69.40446	1.6
71.01263	1.5
72.99197	2.7
75.00762	61.1
76.01113	0.8
76.58471	0.6
78.95776	1.2
79.95618	4.1
80.51711	0.6
80.96428	1.0
83.01273	1.1
85.02830	1.1
87.11010	0.7
95.01293	1.1
95.95129	8.8
96.95916	12.8
99.00728	0.9
104.63753	0.6
109.02866	0.6
111.00797	1.1
113.02328	1.4
127.00290	0.8
132.02095	0.9
133.02888	3.2
134.03688	0.6
135.04376	1.1
139.00267	0.9
146.03783	0.7
147.04440	2.2
148.05243	7.7
149.99821	0.6
150.99498	0.9
151.00652	16.9
152.01096	0.8
152.99492	1.3
154.99788	2.7
156.98189	0.7
159.04451	2.4
160.01550	1.8
161.02309	0.9
163.03906	1.1
169.01299	0.7
172.05264	7.5
173.05916	1.7
174.03128	1.7
174.06844	1.1
175.03902	0.9
183.04510	2.0
184.05200	0.9
185.02393	1.4
187.03963	1.5
187.07613	32.4
188.04736	1.5
188.08023	2.2
189.05550	1.0
191.03499	1.3
193.03436	1.5
197.06039	1.4
198.06750	1.6
199.03976	5.0
200.04742	3.4
201.05528	1.3
201.09190	1.4
202.06258	1.1
203.10852	1.8
204.04256	0.8
205.08516	0.7
211.04002	1.0
211.07674	1.6
213.05597	1.6
213.09239	10.6
214.06332	0.8
214.09517	1.0
215.07130	7.8
215.10709	0.8
217.12328	2.3
227.03462	4.5
227.10771	2.4
228.04263	4.9
229.08723	2.3
231.06668	5.9
231.10231	9.8
235.02490	0.7
236.26738	0.7
239.07249	0.7
243.10451	1.2
245.11855	5.5
249.43582	0.7
257.08224	54.6
258.08588	5.1
259.09695	0.6
261.12183	1.0
263.09650	8.9
271.09714	1.2
275.09290	5.9
289.07245	6.1
289.10968	3.0
290.07593	1.1
315.08752	3.1
318.23840	0.6
333.10107	7.0
333.13803	100.0
334.10553	0.7
334.14188	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	331.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01267	3.0
68.99714	1.3
70.94492	1.2
71.01279	1.3
75.00759	0.7
77.63521	0.4
80.49484	0.4
89.02377	0.5
96.04438	2.3
97.02857	0.9
99.79198	0.5
101.02346	0.6
104.03427	1.4
106.02880	0.6
110.02393	0.7
113.02373	0.5
120.04464	8.6
122.02372	0.6
123.04443	1.5
124.03958	0.9
127.07557	0.5
134.15170	0.5
136.04001	2.1
137.04759	3.7
138.05545	16.0
147.03165	0.5
148.03981	40.2
149.02472	0.6
149.04352	1.2
163.29402	0.5
164.03481	0.8
165.04297	2.7
166.05049	100.0
167.05437	4.3
178.83136	0.5
222.83170	0.5
227.12917	0.7
261.12527	0.9
313.12106	0.9
326.68961	0.4
331.13031	32.5
331.19165	1.1
332.13318	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	331.1895
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58280	1.1
59.01266	8.4
69.03355	9.4
71.01255	4.5
73.02825	1.5
81.82032	1.2
85.02860	1.2
86.70766	1.3
93.03336	2.0
97.02849	50.5
97.06452	1.4
122.64945	1.2
125.05984	3.1
127.07560	2.3
149.02272	1.3
152.00813	1.8
153.01830	1.4
161.02415	1.3
178.02428	7.2
191.03250	3.9
210.01421	5.5
219.06306	6.1
233.11591	2.8
234.08881	2.3
249.14870	1.9
257.36896	1.5
261.11130	58.4
262.11884	100.0
263.12317	6.6
267.12222	1.3
294.10947	13.2
313.18085	4.5
316.81528	1.5
331.15439	6.6
331.19006	38.9
332.19354	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	331.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01260	2.8
68.99708	4.5
69.23026	6.5
69.23457	3.2
71.01280	1.5
75.00766	1.7
83.52527	0.8
84.04438	8.4
86.02361	2.9
89.02335	1.1
94.02880	2.4
94.06522	1.5
95.03093	1.3
95.03671	16.5
96.00816	1.6
96.04445	2.8
96.08087	7.3
97.01597	4.4
101.02328	0.9
101.84794	0.8
110.06021	1.7
112.03957	6.5
116.04979	30.2
117.05300	1.1
118.06545	14.5
120.04477	1.1
122.06030	0.9
123.03167	5.0
124.07608	56.4
125.07935	2.1
129.98558	0.8
134.05952	1.1
137.04752	3.0
138.05556	9.0
144.04489	83.3
145.04813	4.5
146.06036	3.7
147.03162	1.9
153.01863	1.1
162.05562	93.3
163.06036	5.4
164.07143	1.5
185.07112	2.5
188.03493	22.8
189.03809	1.0
195.05313	3.3
217.13411	3.3
241.13498	15.7
242.13670	1.5
259.14517	2.5
269.12997	20.7
270.13324	2.5
287.14081	100.0
288.14432	11.5
307.86145	0.8
313.18295	1.1
331.08151	1.6
331.12973	4.9
331.18774	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53242	0.2
55.01771	0.4
59.01263	100.0
60.01601	1.0
71.01266	3.5
71.04906	0.5
71.10885	0.3
72.99215	0.3
73.02827	1.3
75.00761	0.7
83.01282	0.4
83.88430	0.3
85.02843	1.5
87.00790	0.4
89.02354	0.5
90.76955	0.3
95.01295	0.3
99.00779	0.6
101.02338	3.2
101.02914	0.3
113.02354	1.7
113.49485	0.3
121.02892	0.3
125.02390	0.9
143.03429	0.4
159.02904	0.7
161.04492	3.9
162.05545	0.6
167.03430	1.5
191.03462	0.3
193.03864	0.4
221.82072	0.3
269.10336	5.7
270.10870	0.5
285.12631	0.8
329.10818	0.3
329.14136	1.1
329.17596	0.5
329.23184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2341
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
50.11996	0.5
56.98245	0.5
57.03317	0.9
59.01251	2.3
59.31578	0.5
70.36189	0.6
72.97288	0.6
84.02004	0.5
85.25819	0.5
95.69496	0.5
99.08047	5.9
125.09604	1.1
127.11213	4.8
129.09151	0.6
137.09555	0.7
139.11220	8.7
155.10732	1.1
157.12228	0.7
167.14345	0.7
171.10229	18.3
172.10606	1.4
183.12479	0.8
183.13840	4.0
193.12338	1.4
201.11272	0.6
209.11864	1.0
211.13388	20.0
212.13695	1.6
225.16566	0.5
229.14462	13.4
293.21335	0.7
311.22446	1.1
329.23395	100.0
330.23749	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	327.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01781	0.5
57.03336	4.4
59.01269	0.6
69.03339	4.4
71.01291	0.5
71.14842	1.2
77.49789	0.5
85.02838	17.4
86.03172	0.5
97.02861	1.7
97.06484	1.8
119.08589	1.4
123.08058	0.5
125.09656	1.2
127.11195	1.9
137.09644	5.0
155.10786	0.5
171.10220	36.2
172.10559	2.1
172.94205	0.4
183.13879	1.9
185.11794	0.8
193.12357	0.5
201.11343	1.3
207.02559	0.5
209.11914	0.9
211.13382	8.6
212.13748	0.8
214.51433	0.5
221.09776	0.5
221.11867	1.7
229.14465	5.0
237.99762	0.5
239.12924	1.4
291.19717	2.1
327.21820	100.0
328.22189	9.8
335.36853	0.5
345.98849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2182
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.03324	2.7
58.00465	0.8
58.94376	0.7
59.01267	7.0
60.32103	0.8
69.03341	2.1
71.01253	4.2
73.02852	1.1
75.00756	1.3
83.04912	1.6
84.02048	0.7
85.02844	5.0
95.04939	1.5
97.06483	3.8
101.02396	1.3
109.06470	1.1
109.77019	0.8
111.08058	2.6
123.08135	0.9
125.09646	1.9
134.06047	2.8
136.07622	2.9
137.09657	3.1
141.09203	0.9
148.03926	1.6
149.13261	0.7
155.10683	1.7
171.10217	17.8
172.10504	1.3
181.12317	1.2
183.13869	1.6
185.11816	5.0
193.12296	1.1
195.13922	1.1
197.11792	17.8
198.12161	1.1
199.13361	2.8
201.11298	2.4
209.11783	3.7
211.13449	4.7
213.08980	0.8
221.11803	2.3
227.12994	0.8
229.08696	0.8
229.14330	3.0
239.12955	2.0
239.16444	6.2
242.28571	0.9
267.10925	2.2
291.19641	5.5
295.10934	3.2
309.15302	0.9
309.20474	4.2
327.15790	2.8
327.21805	100.0
328.22073	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	327.2184
Annotation	2,3-Dinor-8-iso prostaglandin F1alpha
Peak:m/z	Relative Intensity
50.06015	12.0
50.15905	12.2
59.01266	72.2
59.53563	13.6
71.01246	22.4
83.04916	28.9
85.02837	20.7
92.09679	13.3
96.82415	12.5
98.19741	19.8
101.02422	14.5
121.02837	12.4
125.02314	13.6
137.09639	100.0
139.11229	14.8
149.09648	14.6
153.84236	12.2
155.10727	50.5
171.10201	81.6
171.74109	12.8
209.11887	14.3
247.20657	16.3
267.10770	19.9
291.19696	47.0
301.24481	13.6
312.09998	12.9
327.21817	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2184
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.78420	0.3
57.03329	1.8
59.01260	0.6
69.03341	1.4
71.01278	0.6
71.33406	0.6
81.49088	0.3
83.04912	0.7
84.02059	0.4
85.02842	7.6
90.30315	0.3
95.04918	0.8
97.02837	0.7
97.06506	4.3
115.77984	0.3
119.08535	0.5
125.09615	1.5
127.11216	2.2
137.09653	2.2
153.58438	0.3
155.10716	0.7
155.14316	0.5
165.12790	0.8
167.10741	0.4
167.14380	0.7
171.10222	17.8
172.10583	0.5
177.12799	0.8
178.03403	0.3
183.13885	4.6
185.11859	1.0
193.12265	1.2
197.11842	0.4
199.13362	0.6
201.11319	0.9
209.11839	1.9
211.13383	19.1
212.13724	1.1
221.11850	3.4
229.14471	11.6
230.14740	0.7
239.12943	2.0
291.19733	2.6
309.20908	1.7
327.21829	100.0
328.22162	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	327.182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.62503	0.3
57.03329	1.7
59.01264	100.0
60.01603	0.8
69.03333	1.6
70.61552	0.9
71.01276	1.3
71.04913	1.0
72.99207	0.7
73.23180	0.3
75.00748	2.0
75.37185	0.3
78.83462	0.2
84.85503	0.3
87.04398	0.4
87.58704	0.3
98.19830	0.3
106.80473	0.3
109.02811	0.3
120.48421	0.3
127.23862	0.3
179.14397	3.1
208.79539	0.3
223.13416	5.6
224.13687	0.5
239.12987	0.4
241.13477	0.4
267.12543	1.6
285.13449	2.0
285.16440	0.3
298.08212	0.3
304.65057	0.3
327.14642	1.0
327.18454	0.5
327.21918	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2183
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
57.01851	0.5
57.03330	1.1
59.01268	0.8
69.03316	0.7
70.05374	2.8
71.04881	1.0
73.02833	2.2
83.04898	1.1
95.95727	0.7
97.06478	1.8
98.03664	1.2
99.08042	2.4
112.05216	1.9
113.09614	1.5
115.07561	2.5
125.09661	1.1
127.07575	4.1
127.11187	0.9
129.09132	29.5
130.09454	1.1
141.09148	12.2
141.12755	2.2
155.10710	19.0
156.11038	0.8
163.11241	1.2
165.12746	1.7
171.10213	14.8
172.10580	0.8
178.17241	0.7
181.12344	0.9
185.11790	44.7
186.12163	2.3
197.11803	37.7
198.12187	1.4
201.23016	0.5
209.11774	6.8
211.13345	1.1
229.14600	0.9
235.79167	0.6
247.20634	2.2
291.19705	14.0
292.19980	1.3
309.20770	32.5
310.21295	1.6
327.21820	100.0
328.22153	7.1
345.92914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	63.2
59.20498	14.4
71.56213	19.4
79.98801	14.9
85.02847	19.0
101.02348	20.2
130.85434	13.0
149.30086	14.2
171.10194	24.2
180.12659	13.8
233.00389	14.7
253.18053	13.9
267.10782	20.9
289.76462	13.4
291.19693	100.0
327.21646	32.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99239	1.1
57.03339	26.8
58.00485	1.4
59.01265	69.9
62.21661	1.2
69.03342	29.4
69.74680	6.1
71.04909	14.0
72.99200	10.6
73.02839	2.0
73.98947	1.2
75.00761	22.7
83.04932	1.4
85.13968	1.3
87.04394	1.6
99.99630	1.2
107.08600	2.6
109.06516	4.9
111.08078	2.2
144.06775	1.4
149.07048	1.4
165.12782	1.7
179.14389	47.4
180.14651	1.8
195.13954	2.3
205.12378	3.1
209.11861	2.1
223.13405	100.0
224.13739	5.7
239.12875	3.7
241.14465	1.6
267.12457	22.9
268.12534	2.5
285.13525	40.7
286.13733	3.2
327.14581	25.5
328.14883	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	325.2391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84676	1.3
57.03357	2.6
59.01261	21.2
59.81902	1.2
69.86787	5.0
69.87201	2.5
71.01279	1.9
77.97868	1.3
79.74391	1.1
83.01304	1.3
83.04894	1.6
97.06505	1.5
98.19861	1.7
101.02348	1.8
109.06497	1.4
113.09650	2.9
121.10131	3.6
121.21405	1.2
123.08040	1.8
125.09609	2.3
134.04556	1.4
137.09633	1.7
139.11214	30.9
140.11540	1.8
149.09650	2.1
151.11235	4.7
153.09108	3.0
155.10686	3.2
163.11116	1.7
171.10245	30.4
172.10631	1.5
177.12845	10.7
179.14552	1.3
183.01193	4.2
183.10202	4.9
188.33473	1.2
193.07040	1.8
197.02759	6.8
209.11763	3.2
275.20245	10.7
289.17950	1.4
293.21268	12.1
303.79654	1.4
307.19330	3.3
307.22794	19.3
325.18469	20.5
325.23859	100.0
326.18790	2.5
326.24268	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	325.2179
Annotation	12alpha-Methylpregna-4,9(11)-diene-3,20-dione
Peak:m/z	Relative Intensity
56.05358	1.0
58.38654	1.0
59.01263	7.0
64.73721	1.0
71.31712	1.2
72.95927	0.9
98.19844	3.0
101.02318	1.5
119.61642	1.0
121.56668	1.1
136.77808	1.1
149.09657	92.0
150.09988	4.0
163.11227	100.0
164.11612	5.1
181.47130	1.0
183.01178	16.6
184.01816	1.2
187.96733	1.1
193.07072	1.1
325.18393	30.2
325.21796	98.7
326.18732	4.3
326.22134	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	325.2026
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
56.88429	0.3
57.03333	1.1
59.01263	7.7
61.98727	0.5
69.03331	0.5
71.01257	1.1
71.04903	0.7
73.02832	1.3
80.02559	1.7
81.03365	1.6
83.04906	6.4
84.02041	1.0
85.02861	0.4
91.39964	0.4
95.04925	0.7
97.02834	0.8
97.06487	2.0
99.08037	0.6
101.02392	0.4
109.06499	1.1
110.03617	0.4
111.08071	0.6
112.05202	0.9
115.07567	6.7
119.04945	0.4
121.02858	0.8
122.03679	0.5
123.08122	0.4
125.05995	1.0
125.09655	2.6
127.07532	0.9
127.11189	1.4
129.09155	0.4
134.59550	0.4
135.08069	1.6
137.09645	1.5
147.11664	0.4
155.10709	6.7
161.04469	0.6
163.11217	6.2
165.12811	3.2
171.10226	0.8
178.09959	5.8
179.10718	0.5
180.11293	0.3
181.12283	1.3
183.10242	0.8
183.13885	0.4
185.11754	1.0
191.10777	2.3
195.10269	0.4
197.11807	1.3
207.10289	2.5
209.11810	87.2
210.12134	4.6
211.13379	0.5
225.11426	1.0
227.12903	0.7
229.20807	0.4
236.10594	1.1
238.12109	0.5
245.19113	1.6
253.18176	0.6
263.20096	0.8
265.18262	0.4
279.19727	1.5
281.21228	0.9
289.18103	3.4
307.19205	100.0
308.19534	8.2
319.21362	0.4
325.14554	0.6
325.20282	8.4
326.20395	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18267	0.9
57.03343	5.8
59.01255	4.8
69.03345	1.8
69.22070	1.1
70.34107	4.3
71.01246	2.9
71.04913	5.8
73.02818	1.8
80.02561	1.9
81.03314	1.1
83.04935	2.5
84.02068	2.0
85.06456	1.5
87.04406	1.6
91.05425	1.4
97.02839	3.5
97.06493	3.8
98.19756	1.3
107.04945	1.2
109.06493	17.9
110.06844	1.1
111.08072	6.9
125.05993	3.4
125.09661	9.9
127.07553	3.2
127.11211	3.9
134.43053	0.9
137.09656	2.9
151.11244	2.6
153.09122	2.6
155.10730	1.5
165.09230	1.3
167.10686	1.3
169.12289	6.3
171.10202	6.1
181.12311	2.7
183.13879	2.1
193.12346	1.3
197.11812	32.9
198.12227	1.2
199.13387	2.6
201.11290	27.5
209.11841	2.4
211.13380	25.0
212.13727	1.4
213.11304	17.8
227.12868	2.8
235.13406	3.7
237.14957	11.5
249.15025	2.3
279.19492	1.1
289.18188	15.1
307.19232	19.1
308.19720	1.6
325.20248	100.0
326.20599	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	325.2026
Annotation	Dinor-PGF2alpha
Peak:m/z	Relative Intensity
53.07474	1.1
57.03342	2.2
59.01265	22.7
60.34451	1.2
69.03377	1.3
71.01247	2.4
71.58006	2.2
71.58373	1.5
80.02519	1.6
83.04904	3.7
84.02046	2.3
89.22455	1.3
96.95866	1.9
97.06475	3.2
101.02349	3.4
111.52934	1.1
113.02425	1.2
115.07552	3.4
121.02983	1.3
123.08039	2.1
124.69028	1.4
125.09649	20.7
127.11163	1.6
135.08130	1.7
137.09645	12.1
155.10791	7.4
163.11223	3.4
165.12842	3.9
167.14256	1.5
171.10236	2.0
178.09921	2.9
180.19791	1.3
181.12265	2.2
191.10683	1.8
209.11810	61.0
210.12102	3.0
236.10603	1.2
245.19211	1.7
265.13052	1.5
279.19623	1.7
281.20978	1.7
289.18155	3.2
307.19214	100.0
308.19553	8.2
325.20142	12.2
325.23868	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	325.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05204	1.2
54.78335	1.1
57.03316	2.3
57.37589	1.1
59.01264	100.0
60.01590	1.7
60.99217	1.5
69.03338	5.8
69.23486	1.2
70.53513	4.3
71.04908	7.4
72.99199	12.7
73.02826	2.4
75.00769	12.7
83.04930	5.9
87.04395	3.4
91.05396	1.3
97.06465	1.8
99.04436	7.5
107.08585	30.4
109.06494	4.3
113.52920	1.3
135.07962	1.4
151.07590	27.4
159.11711	2.9
159.15527	1.3
175.11272	13.0
176.11452	1.2
177.09131	2.3
177.12762	7.1
186.15724	1.1
189.08853	1.3
193.12306	1.4
211.29808	1.2
219.10350	1.2
221.11818	56.9
222.12117	2.1
239.12866	18.7
260.06870	1.2
265.10892	10.5
279.87469	1.4
281.14050	2.1
283.11935	22.2
325.12939	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	325.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44442	0.9
55.45156	0.8
57.00920	0.8
58.00494	0.9
71.01268	2.9
71.04914	1.1
71.43454	2.2
72.89900	0.8
73.02847	1.4
80.71101	0.8
83.04922	3.1
84.02061	1.5
88.92339	0.8
93.01205	0.8
97.06480	1.6
99.08064	2.7
104.16296	0.9
109.06513	1.6
112.05181	1.0
115.07552	2.0
123.08057	0.9
125.09631	3.9
127.07565	12.3
135.08018	1.0
139.07596	1.5
153.09148	11.1
155.10677	1.9
160.42273	0.9
163.11206	2.5
165.12775	1.1
171.10225	10.9
178.09894	1.8
185.11792	12.4
191.10719	0.8
191.14374	0.9
197.11803	12.3
209.11818	55.3
210.12161	3.1
238.12077	7.5
245.19154	2.6
256.13150	4.6
263.20151	1.1
266.27475	0.9
281.21338	1.4
289.18073	8.2
296.67175	1.0
307.19208	100.0
308.19611	9.4
325.20258	45.7
326.20343	4.4
345.29349	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	325.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42089	9.5
57.03326	20.3
59.01266	75.0
67.01797	17.1
69.03346	29.2
69.99138	24.4
69.99545	34.6
81.03349	27.0
83.01292	35.0
83.04906	34.4
95.04941	14.2
97.02862	23.2
97.06492	54.1
98.20436	13.7
119.08617	10.6
123.04448	37.3
123.08077	34.7
125.09647	99.9
135.08134	13.9
137.09663	40.4
141.07152	10.4
141.12854	10.6
142.02650	12.0
151.11198	15.4
151.65886	10.6
163.11230	58.9
165.12793	14.1
167.10742	61.4
171.10211	13.1
181.12325	19.5
185.11816	40.3
191.14369	15.4
207.10211	33.6
209.11803	100.0
211.13358	12.8
225.11372	27.2
245.19150	37.4
289.18143	21.1
301.99814	10.9
307.19144	23.0
325.20218	15.1
342.18814	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	325.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79876	1.3
57.03336	1.7
59.01265	100.0
69.03338	4.0
71.04909	8.7
71.14724	3.2
72.99201	16.2
73.02835	2.7
75.00773	14.9
83.04907	5.5
87.04414	3.3
99.04433	10.4
107.08566	24.0
109.06483	4.2
151.07591	27.7
157.10127	1.5
159.11728	2.0
161.09627	1.9
175.11215	15.3
177.09190	3.0
177.12878	7.7
203.10741	2.7
207.10300	1.5
221.11841	54.3
222.12100	3.9
239.12959	16.5
265.10831	12.8
283.11896	19.4
325.12927	12.1
337.10443	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	325.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	1.7
59.01263	100.0
60.06012	1.0
69.03323	1.5
69.73375	7.0
71.01279	1.1
71.04899	9.9
72.99194	17.0
73.02856	1.3
75.00764	17.4
77.41833	1.0
83.04919	7.0
87.04414	3.1
95.04900	1.3
95.49292	1.1
97.06487	2.0
98.19859	1.5
99.04404	10.1
99.36921	1.3
99.83255	1.1
105.07013	1.2
107.08557	34.1
109.06520	6.2
110.15697	1.0
125.05984	1.5
151.07574	33.9
152.07880	1.1
154.00511	1.1
159.11729	2.2
175.11205	7.0
177.09190	2.7
177.12831	7.8
203.10748	1.4
207.10223	3.4
215.13231	1.2
215.90337	1.0
221.11815	55.5
222.12190	2.7
237.11414	2.5
239.12895	38.9
240.13252	1.7
265.10843	26.0
266.11240	1.6
281.14008	1.2
283.11908	38.4
284.12250	3.4
325.12967	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	325.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03325	2.7
59.01265	100.0
60.01596	2.0
65.08031	1.1
69.53461	1.4
70.48430	4.0
70.48823	2.5
71.04910	8.6
72.99196	22.5
73.02834	2.4
75.00765	18.0
83.04910	6.1
87.04400	4.4
92.26971	1.3
97.06522	1.5
99.04416	8.1
105.06962	1.4
107.08577	22.1
109.06513	4.4
117.01830	2.2
125.06021	2.8
151.07607	29.1
159.11742	2.8
175.11240	4.5
177.09187	2.8
177.12807	4.8
203.10811	2.5
207.10275	3.2
221.11841	43.2
222.12151	3.2
237.11337	2.7
239.12912	34.1
240.13121	3.3
253.06978	1.3
265.10873	31.9
266.11313	2.1
283.11929	45.5
284.12372	3.2
325.13065	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	325.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47963	0.3
54.86842	0.3
59.01262	1.1
71.18974	0.9
88.18565	0.3
93.03366	0.5
94.22617	0.3
119.04939	100.0
120.05272	4.0
163.03947	70.8
164.04289	3.8
205.05014	0.4
205.47218	0.4
236.62074	0.4
290.45068	0.3
338.69559	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.13
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98336	1.3
55.15670	1.1
55.99814	1.2
57.03341	2.0
59.01263	100.0
64.90272	1.5
66.64046	1.1
69.03342	5.2
69.84377	1.3
70.01382	6.1
71.04907	11.5
72.99197	14.5
73.02816	1.9
75.00763	12.2
83.04926	7.7
87.04411	2.7
95.04907	1.6
97.06527	2.3
99.04398	6.4
104.19923	1.2
107.08572	24.9
109.06504	7.6
110.88749	1.2
112.48053	1.3
115.44952	1.3
133.06479	1.8
149.18164	1.3
151.07585	18.7
159.11749	2.8
175.11220	7.5
177.09157	5.3
177.12805	7.4
178.13333	1.1
188.91882	1.2
203.10786	2.8
207.10233	1.5
221.11827	83.9
222.12122	5.2
222.89265	1.5
239.12907	15.0
265.10886	10.8
283.11905	17.8
311.61990	1.3
325.12994	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	325.0935
Annotation	4-O-beta-D-Glucosyl-4-hydroxycinnamate
Peak:m/z	Relative Intensity
50.80947	0.3
72.85959	0.3
93.03342	0.5
98.20371	1.8
105.53808	0.3
118.91858	0.3
119.04943	100.0
120.05257	4.1
163.03954	94.9
164.04282	5.2
173.57808	0.3
205.05029	0.5
308.20801	0.5
313.73105	0.5
325.08771	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82074	0.3
59.01263	0.7
67.32243	0.3
70.71017	0.7
70.71356	0.4
93.03458	0.4
119.04940	100.0
120.05277	4.3
163.03952	95.3
164.04309	4.3
190.22566	0.3
201.10336	0.3
213.13841	0.3
284.20782	0.3
325.09439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2233
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
53.52179	1.0
56.79757	1.0
57.03325	2.6
59.01266	31.5
65.84745	0.9
66.91621	1.1
69.03349	5.5
69.28564	4.5
69.28989	7.2
71.01258	4.4
83.04918	2.8
86.52419	1.3
93.03369	1.2
95.04903	1.5
96.95905	4.2
97.06487	2.9
98.20516	1.6
99.82029	1.2
101.02337	2.1
101.05967	2.1
107.08555	1.4
109.06483	1.7
111.04481	1.0
111.08040	2.2
113.02374	1.5
119.08582	17.3
121.02863	1.8
121.10165	1.6
123.08070	1.1
125.09636	4.1
133.69868	0.9
135.08089	1.9
137.09648	28.9
149.09708	2.1
151.11218	4.0
153.09084	2.0
153.12784	1.7
155.10728	1.5
161.04414	2.1
165.01871	1.8
171.10229	51.5
172.10561	1.5
175.11269	1.0
177.12834	7.8
185.11772	2.3
197.11769	1.6
203.14412	2.5
229.19661	4.3
247.20676	1.4
265.14865	3.8
273.18698	17.6
274.18988	1.9
291.19717	26.9
292.20105	1.0
305.18015	1.3
305.21271	23.0
306.21521	2.5
323.10236	1.9
323.22339	100.0
324.22629	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	323.2233
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
55.98523	0.4
57.03335	0.9
59.01263	8.0
67.62299	0.3
69.03332	1.5
70.69922	1.2
71.01266	1.2
71.04910	0.4
81.03342	0.7
84.97865	0.3
85.02780	0.4
95.01284	0.7
95.04919	0.9
96.95919	0.6
97.02840	1.1
97.06477	0.7
101.02348	0.7
109.83967	0.4
111.08033	0.5
113.02388	0.5
120.49946	0.4
123.04401	0.6
123.08065	1.7
125.09651	5.2
127.07558	0.7
137.09631	1.1
139.11195	0.4
161.04539	0.5
161.09639	0.4
163.11227	3.3
165.09155	2.0
165.12846	0.5
166.09781	0.5
171.10249	0.7
177.12782	1.7
179.10768	0.7
181.12309	2.4
195.13879	0.8
197.11827	6.7
207.10219	1.3
221.11841	4.5
223.09763	0.6
239.12900	3.4
247.20705	0.8
253.14442	1.1
263.11472	0.5
265.14816	0.6
273.18680	1.8
291.19724	12.3
292.19943	1.3
305.21170	2.7
306.21976	0.4
307.19122	1.9
308.20026	6.5
309.20648	0.5
323.22345	100.0
324.22675	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.70975	2.4
56.63118	2.5
57.03328	14.0
59.01265	100.0
61.98715	3.6
63.62808	2.7
69.03337	3.3
71.01273	13.2
71.04897	18.4
80.02567	4.5
81.03337	6.1
83.04951	2.4
85.02872	4.2
89.02329	5.9
92.12395	2.6
93.03316	4.4
95.01274	3.2
95.04952	16.3
97.06506	7.4
97.57600	2.6
99.00803	3.4
101.02378	2.9
101.05997	12.4
106.04099	2.6
107.04930	4.3
109.06499	9.2
113.02362	7.3
121.02902	5.5
121.06485	4.8
123.04469	15.3
123.08086	5.5
125.09677	15.4
133.06468	2.5
135.08096	38.5
137.06030	4.3
141.12743	3.2
151.11307	2.9
161.06071	3.3
161.09717	3.7
165.09192	5.1
167.10638	3.2
171.10126	5.9
175.07518	3.0
185.11818	35.4
189.12804	10.5
199.09721	6.0
205.15947	7.6
207.10304	2.7
209.11894	5.5
221.11861	3.3
237.14925	28.6
243.17509	11.0
249.15033	6.3
259.16882	2.7
261.18399	3.7
275.61578	2.8
287.16562	31.9
288.16815	5.4
305.17651	47.7
305.20935	3.0
306.17871	3.7
308.08502	2.9
309.17822	2.7
323.18658	7.4
323.22165	6.2
324.21899	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	323.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03363	1.9
59.01263	12.1
67.36594	0.6
68.83498	0.7
69.76446	0.7
70.94804	1.9
71.01304	1.6
71.04923	1.7
71.23759	0.6
80.02605	2.1
80.94456	0.6
81.03356	1.8
83.01324	0.8
83.04927	6.3
83.05301	0.6
84.02084	1.5
93.03436	0.9
95.04925	3.9
97.02902	2.0
97.06500	4.8
99.04442	0.8
101.02401	0.9
101.06008	0.8
107.04932	12.5
109.02866	0.9
109.06493	4.2
110.03687	1.7
113.02334	0.8
113.06011	1.7
121.02902	1.5
123.00835	0.7
123.04453	1.9
123.08103	2.6
125.02403	3.0
125.05998	3.6
125.09646	8.8
130.08650	7.0
131.09027	2.2
135.04480	1.1
135.08073	7.3
153.09157	13.0
158.29459	0.7
163.11246	6.4
165.12773	3.5
171.10294	1.1
176.08418	3.2
178.10007	3.3
181.12305	2.0
185.11813	2.6
191.10745	2.1
197.11812	12.7
201.27766	0.8
203.14326	1.0
207.10249	8.2
207.13864	0.8
209.11812	100.0
210.12151	5.2
225.11296	8.1
236.10629	2.1
237.11340	0.9
243.17479	2.2
245.15549	0.9
253.10899	1.3
254.11613	1.6
261.18631	6.1
263.16711	1.0
277.18076	2.4
279.19647	4.3
287.16574	9.7
305.17633	98.6
306.17990	9.1
323.18546	23.6
324.19031	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	323.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.2
59.01258	6.4
61.14036	0.4
69.03348	0.9
71.01256	1.1
71.04894	1.7
73.02817	0.9
80.02557	1.7
81.03323	1.6
83.04908	7.0
84.02043	1.2
90.11330	0.5
95.04927	3.0
97.02837	1.9
97.06476	2.0
98.20593	0.8
99.04423	1.3
107.04929	11.6
109.06484	3.2
110.03632	2.1
111.00757	1.2
111.04448	0.7
113.05991	1.6
121.02847	1.4
121.73750	0.5
123.04419	1.5
123.08059	2.1
125.02362	2.1
125.05988	3.5
125.09634	7.6
126.10011	0.4
133.02797	0.6
135.04424	0.6
135.08090	5.8
136.08495	0.6
137.06073	0.7
140.94817	0.6
147.04420	0.7
147.11772	0.5
151.07610	0.9
153.09135	12.7
153.24155	0.4
154.09499	0.5
161.09641	0.6
163.11214	7.1
165.12799	3.7
166.13173	0.5
169.08748	0.6
171.10266	0.9
176.08401	3.2
177.09143	0.8
178.09975	3.3
179.10614	0.5
179.14415	0.8
181.12337	2.2
183.10092	0.5
185.11786	2.9
187.09557	0.6
190.09955	1.0
191.10750	2.3
197.11795	12.3
198.12010	0.8
207.10257	8.1
207.13875	0.8
209.11804	100.0
210.12155	5.6
225.11304	6.9
227.12758	0.5
229.21162	0.8
235.13380	1.1
236.10565	3.4
237.11125	0.7
237.14944	1.7
243.17426	2.6
245.15489	1.3
253.10777	1.6
254.11578	2.8
261.18600	5.3
263.16455	1.2
269.15521	1.2
277.18094	2.0
279.19608	3.4
287.16589	10.3
288.16937	1.3
295.19141	0.7
305.17630	95.4
306.17975	10.2
323.18707	16.4
324.18924	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	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01774	2.8
57.03331	19.7
57.19199	1.7
59.01264	33.9
65.45612	1.9
69.03327	4.1
69.06264	1.7
70.32637	5.5
71.01270	4.8
71.04900	20.2
73.02809	2.0
80.02600	2.5
81.03357	6.1
83.01273	14.1
83.04911	12.1
84.02061	4.8
84.91576	1.8
85.02842	6.4
85.06533	2.4
93.03365	4.3
95.04918	37.7
97.02840	3.7
97.06503	15.2
97.77429	1.7
99.04432	2.5
101.05997	6.7
106.04193	2.4
107.04932	2.7
109.06491	13.3
111.04459	3.5
113.05989	14.3
121.02895	4.1
121.06507	4.2
123.04449	5.6
123.08072	5.8
125.06056	4.8
125.09634	19.6
135.08081	13.1
137.06009	2.9
137.09622	2.7
141.12793	2.3
147.08025	2.0
149.09723	3.7
151.07660	2.8
151.11208	5.5
153.09151	5.7
161.04594	3.0
161.05960	2.5
161.09607	2.4
163.11250	7.9
165.09067	2.3
165.12790	6.2
167.10690	5.2
171.10269	3.8
177.12790	5.4
179.10722	2.3
181.12370	4.8
185.11771	18.7
189.12845	7.1
191.10756	8.8
191.14139	2.1
193.16078	2.1
195.13867	4.9
203.10767	4.8
203.14340	5.1
205.15897	2.5
207.10338	4.7
209.11804	100.0
210.12172	9.2
211.13356	3.5
221.11868	3.8
231.13831	2.4
233.11847	2.9
237.14963	84.9
238.15268	6.0
243.17596	7.4
247.13376	5.6
249.14960	7.0
265.14456	17.4
277.18176	2.5
279.19681	2.8
287.16577	39.1
295.26505	1.9
305.17661	62.4
306.17953	5.4
323.18668	35.8
323.22220	3.7
324.18839	4.4
339.67792	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	323.1871
Annotation	Hynapene A
Peak:m/z	Relative Intensity
57.03319	5.1
59.01265	48.2
70.63261	5.1
71.01257	4.1
73.02840	1.7
80.02555	4.6
81.03342	4.4
83.04918	5.1
85.02832	2.3
89.02332	1.8
89.40833	1.5
90.01579	1.3
91.05418	4.6
92.55470	1.4
95.04908	4.5
97.02863	7.3
97.06487	61.4
97.07121	3.0
98.06802	2.4
99.00805	1.9
101.02318	2.6
101.06004	3.1
106.04140	3.2
107.08559	1.5
109.06501	46.2
110.06819	1.8
113.02364	2.1
116.50956	1.4
117.07008	3.3
119.04935	2.6
120.05728	2.3
121.02844	1.3
121.06497	1.7
123.08060	4.4
125.08750	3.2
125.09644	50.8
126.09946	2.2
135.08078	26.6
142.02588	1.7
151.07727	1.3
153.09163	2.5
161.04643	2.4
161.06023	31.7
163.11256	10.1
171.10182	2.9
176.90874	1.8
181.12291	7.5
184.39912	1.3
185.11795	5.1
189.12784	1.8
207.10234	41.0
208.10606	2.0
209.11812	5.8
210.06798	4.5
211.76761	1.5
217.15945	3.2
223.13420	6.0
225.09189	5.8
225.11317	37.0
226.09799	2.4
226.11810	3.2
235.13336	1.9
243.17522	5.0
247.13448	2.3
261.14960	6.4
261.18524	2.8
263.16559	1.5
265.14505	4.1
269.15552	3.1
277.18167	5.9
279.16095	59.5
280.16306	4.9
287.16562	22.7
288.16815	2.9
295.19220	1.8
305.17664	100.0
305.90475	1.3
306.18030	9.1
323.05423	2.1
323.18915	12.8
324.18924	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	323.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44315	0.3
55.23110	0.3
57.11961	0.3
59.01262	100.0
60.01600	0.9
63.33719	0.4
63.88771	0.3
69.53220	3.0
71.01265	1.1
72.99178	0.4
73.02831	0.5
74.76747	0.3
77.53998	0.3
85.02849	0.6
98.20527	0.7
101.02345	1.7
113.02346	0.4
161.04536	0.8
192.35596	0.3
198.56561	0.3
250.11754	0.3
263.15033	4.0
317.21323	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	4.2
59.01265	100.0
62.78563	2.5
69.54095	22.4
71.01281	9.8
71.04903	7.1
76.55746	2.7
77.35770	2.4
81.03360	8.1
83.04926	7.1
85.02865	3.1
87.28230	2.5
88.57545	2.7
95.04911	6.8
97.06486	8.3
98.19809	4.9
99.04453	4.1
101.02345	7.5
101.05993	9.5
107.04927	8.5
109.06472	5.6
113.02347	5.2
115.07561	9.0
119.43655	2.8
121.02841	3.9
121.10171	5.6
125.02397	2.8
125.09641	11.9
127.07549	4.2
129.01984	2.6
135.08125	2.8
137.09633	20.8
138.09985	3.5
149.09590	4.7
151.11223	9.5
153.09158	7.4
157.12364	3.5
161.04533	5.1
163.11208	8.1
167.10764	3.1
167.14540	2.6
171.10214	16.6
185.11797	7.6
191.14394	4.3
193.12267	4.8
197.11833	7.7
199.13458	4.5
207.10278	12.2
209.11818	50.3
215.12886	4.6
217.15964	3.7
225.11299	15.8
225.14966	4.1
227.12903	9.0
260.88638	2.8
261.18747	3.7
263.11340	5.1
273.18640	6.4
279.19757	13.2
287.16595	7.3
291.19705	45.8
292.19962	4.8
305.17636	59.7
305.21304	33.7
306.17960	5.9
306.21399	3.4
323.18655	17.2
323.22351	65.7
324.22583	7.1
340.03073	3.1
340.92212	2.8
340.97061	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	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09044	0.9
56.11001	0.9
57.03337	1.1
58.00478	2.9
59.01266	75.3
61.53306	1.0
62.53379	1.0
71.01271	37.8
71.28993	2.3
71.29354	1.0
72.99200	4.0
73.02840	1.2
83.01265	1.5
84.57813	1.1
85.02856	8.3
87.00748	1.0
88.05100	1.1
89.02334	37.9
92.82798	1.1
95.01275	3.1
101.02345	28.9
113.02371	14.7
113.03100	2.0
117.74419	0.9
119.03425	19.0
124.41213	1.1
131.03435	1.5
143.03442	2.1
149.16512	1.1
153.32280	1.3
161.04475	1.8
179.05589	3.0
323.13547	100.0
324.13947	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	323.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80268	0.8
57.24223	0.9
59.01264	100.0
60.01597	1.3
69.59642	0.7
71.01264	10.3
71.36117	1.8
72.99191	1.5
83.01248	1.1
85.02831	4.1
89.02340	8.2
96.98863	0.8
101.02358	7.5
101.05996	1.6
107.80002	0.8
113.02313	4.6
119.03404	3.6
143.03419	1.2
161.04500	2.8
263.11389	2.7
323.13535	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	323.1354
Annotation	Antibiotic DO 248A
Peak:m/z	Relative Intensity
55.01762	1.1
56.47717	0.8
57.03328	1.2
58.00469	2.6
59.01264	80.0
60.01604	1.0
62.05393	0.7
62.39055	0.7
71.01270	39.5
71.56438	1.1
72.01626	1.2
72.99197	3.8
73.02824	3.1
75.00732	0.7
78.95798	2.7
83.01270	2.0
85.02850	8.4
87.00785	2.1
89.02335	42.8
90.02697	0.7
95.01290	2.4
96.95918	0.9
99.00791	1.1
99.08105	0.8
101.02347	30.7
110.89843	1.0
111.01952	0.7
113.02358	15.9
114.63314	0.7
117.01868	4.4
119.03414	21.0
125.02350	0.8
131.03429	1.7
133.02954	1.5
136.99112	0.7
143.03426	2.9
143.07074	1.4
149.04462	1.7
161.02367	6.6
161.04506	2.7
161.08153	1.2
179.05617	3.8
211.00221	1.3
251.61794	0.7
281.12378	0.9
323.13528	100.0
324.13776	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	323.1254
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
52.99311	0.7
53.95730	0.7
55.14997	0.7
55.24547	0.9
58.00462	1.3
59.01262	42.6
65.54086	0.8
70.45798	2.2
71.01273	9.7
72.99176	2.5
75.00754	2.1
89.02328	7.9
101.02341	7.8
113.02326	1.1
119.03411	1.9
130.18843	1.0
142.69934	0.8
145.07556	1.3
160.06342	13.0
161.07143	58.4
161.18892	0.8
162.07454	2.3
175.03889	1.8
175.08719	44.1
176.09106	1.5
187.08757	0.8
189.06656	100.0
190.07045	4.1
203.08243	41.4
204.08583	2.9
217.05087	1.1
229.09824	1.4
247.99487	0.9
251.04642	4.6
264.05627	1.3
277.12000	0.9
279.07672	3.9
290.72369	0.8
295.12988	0.9
298.66879	0.9
305.11383	2.1
323.12521	37.8
324.09436	1.1
324.12701	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	322.2029
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
58.02856	2.1
59.01257	2.0
61.97779	0.2
69.42155	0.6
69.42590	0.9
80.02541	0.2
81.03368	0.4
90.82770	0.2
95.04932	0.6
97.06490	0.3
98.91939	0.2
109.06500	0.6
123.08189	0.2
128.10733	7.4
129.11078	0.4
130.08653	100.0
131.09006	2.2
149.09671	0.3
163.11194	0.2
165.12778	1.0
170.46519	0.2
172.09732	0.4
191.10835	0.2
201.56789	0.2
209.11864	0.6
215.71971	0.2
220.84891	0.2
225.11176	0.2
236.18568	0.2
247.44261	0.2
278.21255	0.3
305.17645	0.7
322.20273	38.4
323.20728	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	321.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	82.3
66.99361	2.6
67.14664	2.6
71.01255	5.0
71.04907	100.0
71.05304	5.9
73.02827	3.7
75.00757	5.3
78.11353	2.5
81.03371	5.6
89.02306	3.8
93.96017	2.7
94.28593	2.4
95.04946	3.2
97.06492	5.4
109.06457	3.1
141.01691	3.7
151.11247	14.6
155.26956	2.8
161.54271	2.6
171.18951	2.7
191.14377	4.9
193.12323	5.8
217.12494	2.8
225.14967	6.3
233.15491	9.4
243.79501	3.1
249.15015	10.3
263.12772	3.7
265.18176	5.6
289.18164	9.1
306.18509	13.2
321.17413	4.9
321.20758	92.3
321.24146	4.3
322.21133	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	321.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03342	1.3
59.01265	30.8
70.19927	0.8
71.01263	2.1
71.04903	2.0
75.00752	1.3
80.02582	1.1
81.03352	1.6
83.04919	1.1
89.02323	1.2
95.01274	1.5
95.04910	2.9
97.06499	2.5
98.19795	2.9
106.04155	0.9
109.02850	1.8
109.06503	2.1
111.04428	2.9
115.07551	1.2
119.04887	1.1
123.08067	1.4
141.01613	1.4
148.08887	1.4
149.09663	1.8
150.10466	2.8
151.11217	2.2
161.09630	1.3
163.11235	27.3
164.11661	1.4
165.12791	4.0
174.10359	1.1
175.11226	1.5
177.09227	1.4
177.12862	2.7
189.12784	2.6
191.14386	44.1
192.14671	3.5
193.12292	2.7
205.12331	3.9
215.14293	1.0
217.15988	6.0
221.11902	1.3
231.10121	1.3
237.11307	1.9
245.19131	33.5
246.19455	3.1
271.17188	6.1
289.18161	100.0
290.18457	9.3
307.19260	1.5
321.20767	78.8
322.21060	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	321.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.95299	0.4
57.03329	0.4
59.01264	100.0
60.01592	1.0
62.85019	0.3
66.11444	0.4
71.01269	3.2
71.13958	0.9
72.99194	0.9
73.02840	0.6
75.00764	34.3
75.80773	0.3
83.01289	0.6
85.02866	0.5
89.02343	1.4
93.48256	0.3
95.01316	0.5
96.95943	0.9
97.06529	0.4
97.51462	0.4
101.02370	1.7
110.49143	0.4
113.02367	1.4
119.01325	0.4
119.03403	0.9
121.02836	0.9
122.06023	1.1
127.27655	0.4
134.37268	0.4
135.04480	1.6
136.07643	0.5
138.05553	1.2
138.09207	1.2
147.00801	2.0
148.01616	3.7
161.04512	0.5
165.01868	0.6
168.06615	0.4
179.03436	0.5
182.08206	1.7
205.08711	0.9
213.76538	0.4
259.93195	0.4
261.13403	0.9
321.14380	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1669
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98585	0.8
58.02861	6.1
58.86146	0.8
59.01257	2.5
69.43231	4.7
69.43647	2.1
72.00798	4.0
82.06523	2.3
84.63293	0.7
91.05430	8.9
96.88771	0.8
104.14888	0.7
112.07552	3.7
118.06529	2.1
126.09162	1.9
129.10260	62.2
130.10588	1.7
135.04456	1.7
147.04449	21.6
148.04747	1.7
153.10243	2.9
154.08678	9.5
158.97585	0.8
164.07114	54.3
165.07446	1.5
171.11342	45.5
172.11662	1.2
181.35275	0.9
181.65889	0.7
216.13910	0.9
233.16597	31.2
234.16867	2.3
250.29816	0.8
275.17749	4.2
277.15552	2.4
319.16696	100.0
319.22806	2.4
320.17050	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	321.135
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49277	0.2
51.58412	0.2
59.01265	9.1
64.88815	0.2
68.99690	0.3
69.84522	0.8
69.84933	0.5
70.13754	0.2
70.25502	0.2
71.01268	2.8
72.99211	0.3
75.00761	4.2
77.22751	0.2
89.02357	0.4
89.03892	0.2
91.05444	0.9
93.03363	1.0
94.06499	0.4
95.04915	0.4
97.06490	2.9
103.05422	0.3
105.03374	0.8
107.04923	2.2
108.02076	18.1
109.02867	7.2
110.03210	0.2
117.03376	1.7
119.04943	4.3
121.02869	12.9
123.04420	0.2
124.01618	0.5
129.03362	1.6
130.04161	0.3
133.02893	0.8
134.03659	3.3
135.04448	34.1
136.04744	1.5
136.07492	0.3
137.02357	0.7
139.03955	0.3
145.02888	5.2
146.03632	0.4
147.00732	0.4
147.04453	13.1
148.01624	1.0
148.05286	2.5
149.02348	0.4
149.05965	0.3
150.03210	1.3
151.03926	1.0
155.87071	0.2
161.02397	1.5
162.03154	2.3
163.03954	31.9
164.04295	1.4
173.00937	0.4
173.02397	6.4
174.03004	0.8
174.47321	0.2
177.01787	0.2
177.09123	0.4
180.06601	0.5
190.02660	0.5
191.03470	100.0
192.04193	19.4
193.04710	1.1
203.07100	0.3
205.08725	2.5
217.08701	0.9
271.09790	0.7
289.10892	2.8
303.13669	0.3
321.14020	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1248
Annotation	H-TYR-HIS-OH
Peak:m/z	Relative Intensity
54.26796	0.4
55.67229	0.3
57.03317	1.2
58.00475	0.6
59.01250	1.2
68.33870	0.4
71.01279	0.6
71.33180	0.8
72.99197	11.0
75.00761	100.0
76.01104	0.8
76.48412	0.4
85.02839	0.6
87.00777	0.4
87.04398	2.2
101.02364	0.4
106.36246	0.4
109.06463	0.4
119.32008	0.5
139.11218	0.4
145.76060	0.4
179.10825	0.5
193.83186	0.4
241.10869	0.7
273.13492	65.7
274.13815	4.1
317.12476	16.0
317.16312	0.9
318.12537	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42828	0.4
50.74236	0.5
56.99743	0.6
57.03328	0.9
58.82248	0.4
59.01268	3.4
59.01524	0.6
70.58606	0.7
70.58958	1.4
71.01257	2.0
72.99197	30.6
73.02821	0.8
75.00761	23.6
84.37366	0.4
85.02852	1.1
85.34404	0.4
89.02341	1.1
98.19904	0.8
98.20470	0.7
101.02334	1.0
138.50096	0.4
139.07550	0.6
157.08636	0.7
215.12845	0.7
243.12398	100.0
244.12688	6.8
257.13962	6.8
273.13541	0.6
301.12943	0.8
319.14035	96.4
320.14365	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	317.115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01251	0.6
64.78040	0.3
70.59018	0.8
80.04925	0.3
84.04411	0.4
90.03386	0.5
94.02878	0.5
96.08082	0.6
96.95878	0.2
98.19820	0.3
104.04957	1.2
108.04426	0.4
118.02908	1.0
120.04435	0.5
121.05280	0.3
122.06036	5.8
124.07597	4.7
130.02867	0.6
131.03680	0.9
132.04494	0.3
134.05988	0.4
136.03981	0.7
136.07614	12.3
137.04782	0.3
137.07928	0.5
140.07117	0.3
144.04457	0.4
148.03957	0.5
149.00993	0.3
149.04768	0.5
150.05539	1.6
158.06078	0.3
161.07210	0.3
164.03473	2.6
168.06583	0.7
178.05045	0.6
181.01389	0.3
181.03706	0.7
185.07144	2.1
185.11794	0.7
196.07721	1.7
197.07121	0.6
198.04326	1.5
198.07851	0.3
200.07109	0.4
200.10771	1.0
210.09142	0.3
211.05103	0.3
211.08911	0.4
212.05757	0.4
212.11028	1.6
213.10434	0.3
215.08228	0.3
225.06726	2.7
226.07370	1.5
226.11151	0.3
227.08272	8.2
227.11681	1.2
228.08482	0.4
229.09854	0.6
229.13446	0.5
230.11896	0.5
237.10371	0.6
238.08810	0.6
239.08234	3.1
240.09056	5.4
240.11502	0.3
241.09657	0.6
243.07825	0.3
243.11392	5.0
244.08514	0.4
255.11429	27.6
256.11807	2.2
258.10184	0.6
272.08105	0.7
273.12503	100.0
274.12808	7.2
299.10522	0.3
317.11484	11.7
317.19846	0.8
318.11856	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	315.1456
Annotation	Merrilliortholactone
Peak:m/z	Relative Intensity
57.03369	0.8
59.01266	5.8
69.03337	4.0
69.78451	0.7
69.78867	2.3
71.01317	1.0
71.04898	2.0
72.99216	0.6
73.54070	0.4
75.00764	3.2
83.04946	0.9
89.02396	1.2
91.03898	1.9
95.04985	0.5
97.06560	0.4
99.00841	0.6
101.02402	0.4
108.02113	0.8
109.06500	0.4
111.00826	0.4
111.97330	0.4
117.03424	1.3
117.61516	0.4
119.04985	1.3
123.04461	0.8
123.08103	1.1
125.09682	2.5
133.02945	1.3
134.03654	0.4
135.04532	0.6
137.09680	0.5
145.02887	4.1
149.09694	0.5
150.05524	0.5
151.11255	1.7
153.12816	2.1
161.02419	1.7
161.09718	3.4
167.14375	0.4
174.03206	0.4
179.10745	14.1
180.11084	0.7
190.02722	0.8
197.11815	100.0
198.12184	4.5
211.13324	2.9
217.53424	0.4
218.02216	1.3
223.09773	3.0
241.10847	15.2
242.11137	1.1
255.12459	0.6
257.08133	1.1
297.13245	0.4
300.39294	0.4
315.14465	48.9
316.14832	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	315.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	1.6
58.11071	0.8
59.01268	8.5
71.01283	1.1
71.56321	1.7
75.00754	1.7
79.05428	7.4
81.34872	1.0
83.04904	2.2
97.06503	1.2
111.96616	0.9
117.03381	6.8
119.04932	5.0
119.08578	15.6
123.04462	2.4
131.08588	4.9
133.02882	3.3
137.09648	3.4
145.02884	18.4
160.90309	1.1
161.02396	5.4
163.03949	2.5
174.99300	1.4
187.14967	1.7
207.47163	1.0
212.03093	1.0
217.00314	3.1
232.97699	1.7
237.16512	1.4
245.43344	1.1
253.19632	5.7
271.20697	17.2
301.14990	1.1
315.16071	33.8
315.19714	100.0
316.16373	3.4
316.20068	8.9
323.20236	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0883
Annotation	variecolorquinone B
Peak:m/z	Relative Intensity
59.01014	0.5
59.01271	4.4
60.35040	0.5
71.01262	0.7
71.04927	0.5
71.07124	0.7
72.99199	4.6
75.00763	78.5
76.01102	0.9
83.01237	0.5
86.65685	0.4
93.03351	0.4
96.95891	1.1
97.06513	0.8
99.00782	2.6
100.98716	3.3
101.03961	0.5
108.02076	0.8
109.02891	0.9
111.00793	0.6
115.05387	0.6
117.03398	1.4
119.04964	1.7
121.02891	0.8
123.04398	0.9
124.69561	0.5
133.02896	1.5
134.03650	2.1
139.00325	1.1
143.04961	1.4
145.02905	5.6
146.03693	1.4
147.04398	0.6
156.05763	1.3
157.06503	0.9
158.03676	3.4
159.04469	5.4
161.02380	10.5
162.03059	1.5
163.04018	0.6
169.06514	0.7
169.10190	1.2
169.10886	0.5
169.12289	6.8
170.03703	1.8
171.04491	6.3
171.11722	1.2
172.05258	13.9
173.02405	3.6
173.05905	1.1
174.03178	11.9
175.03949	1.9
180.05757	0.7
183.04488	5.5
183.11739	2.0
184.05261	5.7
185.06027	8.5
185.09746	0.6
186.03212	4.1
186.06824	4.0
187.03979	21.9
187.07552	2.5
187.11249	2.0
188.04628	2.5
189.01917	6.9
189.05513	2.1
196.05258	2.0
197.06058	11.3
197.11873	1.4
198.06845	22.2
199.03981	1.2
199.07372	2.1
199.11287	1.9
200.04800	2.4
200.08440	0.5
201.01913	1.0
201.05536	2.0
201.09216	1.6
202.02707	5.1
203.03418	0.5
204.04303	0.7
207.80875	0.5
209.09885	0.8
211.07640	2.4
212.08389	2.1
213.05937	3.0
213.09190	28.9
214.02725	6.2
214.06206	1.2
214.09732	2.8
215.03496	14.0
215.07104	4.1
215.10751	8.2
216.04164	2.9
216.11156	1.2
218.02164	1.4
221.11871	0.7
225.09184	1.3
226.09814	0.6
227.10777	61.2
228.04225	0.8
228.07794	1.0
228.11110	3.8
229.05080	0.6
229.08720	1.6
230.05888	0.6
231.10275	27.6
232.10667	1.9
239.12814	0.9
241.05084	1.0
241.08765	1.2
242.05829	1.0
242.09454	1.0
243.10275	14.5
244.10611	1.2
245.11842	1.5
256.07413	1.1
257.08221	100.0
258.08563	8.1
259.02530	0.7
259.09698	0.6
269.08185	0.6
270.08948	0.5
271.09805	61.1
272.10181	4.9
287.09348	0.7
297.13544	0.9
315.08823	64.8
315.15015	6.6
316.09155	6.1
316.15878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0728
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03332	0.4
59.01257	1.2
69.03319	0.4
71.01273	2.3
71.30651	0.6
72.99191	0.9
73.02832	0.7
73.14462	0.3
75.00753	3.5
79.01835	0.3
80.78850	0.3
81.03350	1.0
85.02841	2.0
89.02343	0.4
93.03371	0.7
95.01283	1.1
99.00806	0.3
101.02348	1.3
103.91899	0.7
108.02072	94.1
109.02864	58.0
110.03176	1.7
113.02335	1.2
117.05492	0.5
121.02860	1.3
122.89358	0.8
123.00813	1.5
123.04429	1.5
125.02356	0.3
133.02820	0.6
135.00772	0.6
135.04448	1.1
146.37869	0.4
146.59019	0.3
151.03976	1.8
152.01085	61.3
153.01869	56.9
153.05513	1.1
154.02203	1.9
163.03954	1.3
165.01901	1.7
181.05087	0.4
195.03001	0.4
225.03983	0.6
271.11917	0.4
279.10922	0.9
307.35495	0.3
315.07272	100.0
315.14722	3.5
316.07574	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	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.87235	0.7
54.02277	1.4
54.39244	0.8
58.07333	0.8
59.01254	1.4
70.70243	2.3
70.70580	0.9
71.01270	2.6
73.02871	1.0
74.99608	0.8
80.60302	0.8
81.03334	1.3
85.02845	3.1
87.15768	0.9
95.01291	2.2
108.02076	100.0
109.02876	35.6
111.13148	0.9
117.03378	1.7
119.04896	1.6
121.02912	1.3
121.95032	0.9
123.00787	1.6
123.04390	2.0
133.02869	2.0
145.02878	4.3
152.01091	60.1
153.01883	31.5
154.02248	1.4
161.02396	3.2
163.03967	2.0
177.88962	0.8
195.34181	0.9
231.70546	1.0
315.07272	60.7
315.15924	13.1
316.07590	3.7
316.16364	0.8
329.20743	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	315.073
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
59.01265	0.8
68.40275	0.5
71.02436	0.7
71.02757	0.6
73.25150	0.4
83.85854	0.5
89.88053	0.4
108.02085	2.7
109.02861	85.4
110.03213	2.0
117.03377	0.8
119.04978	0.9
120.47836	0.4
123.04413	1.3
133.02887	1.3
134.27396	0.5
145.02933	2.5
152.01074	1.4
153.01875	100.0
154.02211	3.2
161.02377	1.5
197.36703	0.4
241.45624	0.4
315.07312	19.3
315.16080	7.0
316.07657	0.9
316.16574	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	5.1
63.96033	0.9
71.01260	2.5
71.57403	0.9
81.03350	1.5
89.02342	1.7
91.02124	1.3
93.03363	12.5
107.04934	3.4
108.95119	0.8
111.00815	0.8
113.02373	0.9
117.03363	1.8
119.04895	1.5
121.06497	1.1
125.38449	0.8
127.03954	0.8
133.02863	0.9
133.06506	0.8
136.21513	1.0
137.02365	0.9
145.02881	8.8
147.08076	2.1
147.11783	0.9
148.01385	1.2
163.03798	1.0
187.03659	1.0
215.06958	0.9
215.10606	1.4
217.12096	2.4
227.18002	3.1
227.52855	1.0
229.08334	0.8
231.10088	0.9
235.13301	1.1
243.10025	1.7
245.19170	4.9
247.09506	2.9
249.11113	5.5
253.09270	1.7
279.12274	2.1
293.10266	0.9
293.15128	1.3
295.16806	2.2
297.14890	1.2
309.82364	0.9
313.14569	9.6
313.17902	100.0
313.23883	4.8
314.14920	1.2
314.18240	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	315.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47076	0.4
59.01259	1.4
71.01277	2.2
71.28924	0.7
72.99174	0.6
73.02836	0.8
75.00747	3.5
76.31057	0.5
77.01151	0.4
81.03342	1.0
83.01266	0.6
85.02841	2.6
95.01298	2.1
97.02827	0.5
101.02341	1.5
105.01801	0.5
107.04968	0.5
108.02074	92.2
109.02862	81.0
109.04391	0.5
109.83688	0.4
110.03197	1.9
113.02332	1.5
117.03351	1.4
119.04919	1.0
121.02859	1.2
122.89317	0.6
123.00781	1.7
123.04411	3.2
133.02884	2.5
135.04478	0.7
145.02924	2.6
149.19820	0.4
151.03940	2.2
152.01093	59.7
153.01878	100.0
153.05305	2.6
154.02225	2.2
161.02354	1.3
163.03937	1.6
165.01886	1.7
177.01981	0.6
185.43500	0.5
195.02962	0.4
203.92818	0.5
256.11713	0.4
279.10822	0.6
279.91010	0.5
314.63104	0.6
315.07275	99.2
315.16162	5.7
316.07571	5.7
324.79883	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.1301
Annotation	1alpha-Hydroxypseudoanisatin
Peak:m/z	Relative Intensity
57.03341	0.9
59.01263	2.5
61.94109	0.5
63.97840	0.5
71.18440	0.6
71.18755	0.6
72.99197	9.1
75.00764	100.0
76.01110	0.7
79.01609	0.5
85.02843	0.6
87.15454	0.6
101.02353	0.5
107.04912	0.8
122.03664	0.8
125.06002	0.9
136.05235	1.1
137.06017	1.9
139.07597	1.5
145.02882	1.3
150.64737	0.6
179.07068	2.2
189.09195	0.7
195.10185	0.7
197.86522	0.6
207.10263	3.1
219.10220	0.7
221.11937	0.8
237.11349	1.2
253.09276	0.7
313.12985	71.0
314.13254	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	311.2235
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
50.25225	0.3
51.47232	0.3
57.03336	0.7
59.01260	5.0
61.23746	0.4
62.04540	0.4
68.63089	0.3
71.01277	0.7
71.05293	0.5
71.05612	0.5
90.92477	0.3
97.06496	0.4
99.08039	0.4
101.02314	0.5
101.69908	0.3
111.08060	0.3
112.89198	0.3
123.08050	0.5
125.05978	0.4
125.09631	2.7
127.11178	0.4
137.09608	0.3
139.11217	2.3
141.09137	1.2
141.12762	1.2
143.10678	0.8
149.06021	1.9
153.09142	0.8
155.10757	0.8
155.14349	1.0
157.12195	0.7
167.10703	3.2
171.10233	3.0
183.10219	0.7
185.11780	1.2
199.09683	0.9
200.10510	1.5
211.13330	0.5
214.12050	0.5
237.22189	0.4
249.22188	2.0
250.22751	0.4
251.11229	0.5
265.21823	1.3
267.23318	1.2
275.20212	1.1
283.22833	0.6
293.21301	7.4
294.21570	0.8
311.22333	100.0
312.22678	8.7
330.34756	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.13
Annotation	Viridoside
Peak:m/z	Relative Intensity
57.03334	1.8
59.01266	11.8
64.85855	0.5
69.52207	4.7
71.01273	7.6
72.99196	10.9
73.02841	1.0
75.00764	100.0
75.52847	0.6
76.01109	1.1
83.04919	1.5
85.02845	1.3
87.00774	1.9
89.02344	6.8
93.72242	0.6
95.01319	0.7
98.03291	0.7
101.02350	4.4
113.02371	2.3
119.03430	2.1
122.03651	1.7
123.04462	1.3
124.05220	1.3
125.06017	0.7
133.05002	11.3
136.01596	1.8
136.05231	1.7
137.06020	4.1
139.07590	4.7
145.02919	1.1
149.06030	0.7
151.03973	3.4
151.06073	2.1
160.01611	1.4
161.04530	1.2
166.86166	0.6
175.04010	3.9
175.05261	0.6
177.41898	0.6
179.05562	1.8
179.07137	3.0
192.07947	0.8
207.10240	3.5
237.11351	0.6
253.09363	2.0
313.13028	57.5
314.13266	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17930	0.7
57.03321	1.2
58.00471	0.8
59.01266	3.8
71.05615	1.4
74.36341	0.9
119.09122	0.8
121.10121	1.7
123.08060	1.4
125.09647	2.7
127.11189	4.5
129.09077	1.2
139.11218	8.0
149.45641	0.7
155.10733	2.2
165.09325	0.9
171.10213	52.6
172.10562	2.5
179.79242	0.7
181.12442	0.8
183.10260	4.1
185.11760	8.3
197.11739	2.0
201.11256	9.7
211.13347	3.1
275.20093	4.8
293.21292	14.0
294.21521	1.7
311.22324	100.0
312.22653	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	311.2235
Annotation	(plusmn)9-HpODE
Peak:m/z	Relative Intensity
57.03326	2.7
59.01261	6.9
69.53085	5.0
69.53487	2.2
71.01266	1.2
83.21912	1.0
97.06512	1.3
108.78211	1.0
123.08028	1.4
125.09631	6.5
139.38301	1.0
141.12752	2.1
149.05986	3.1
149.09648	3.1
170.00378	2.0
183.01172	51.7
184.01578	2.3
185.11806	20.7
197.02777	1.4
197.11768	3.5
211.13399	1.1
233.49525	1.2
249.22322	1.6
251.65886	1.0
275.19971	1.2
293.21301	68.2
294.21616	4.7
311.16931	100.0
311.22449	3.3
312.17337	8.5
318.89478	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	311.2235
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
51.15184	0.4
57.03328	0.5
59.01254	1.7
59.83087	0.3
70.09232	1.9
71.32538	0.3
84.74294	0.4
97.06467	0.4
99.12292	0.4
111.21402	0.4
113.09615	1.1
114.12239	0.4
115.07593	0.5
127.07550	0.8
128.08348	1.0
129.95576	0.4
148.64903	0.4
149.06020	0.6
156.34416	0.4
167.10681	0.4
167.14369	2.7
175.85101	0.4
183.13861	2.4
195.13869	10.1
196.14253	0.5
211.13374	0.9
213.14961	1.5
239.23801	0.5
242.15285	0.6
249.22209	0.4
265.21765	0.7
275.20258	0.4
283.22791	0.4
293.21277	7.7
294.21420	0.4
311.22339	100.0
312.22693	8.9
321.87589	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87838	0.5
57.03331	1.9
58.00475	0.8
59.01263	6.8
69.03360	0.8
70.70398	1.4
70.70770	0.9
71.01266	0.6
72.59478	0.6
74.30753	0.6
76.03718	0.5
76.06866	0.5
79.10909	0.6
97.06485	0.9
99.08064	1.5
101.02371	0.6
109.06413	0.5
113.09631	3.1
114.06350	0.5
121.10092	1.0
125.09638	1.3
127.11195	1.1
128.15532	0.5
129.09151	3.1
139.11243	4.1
149.05977	2.2
151.11211	0.8
153.12749	0.8
155.10719	0.6
165.12755	0.8
167.14349	0.9
169.12231	1.3
171.10202	8.4
173.16849	0.6
177.12825	1.0
181.12285	2.1
183.13834	1.6
185.11758	1.6
193.12331	2.3
195.13843	1.8
197.11833	3.1
198.12148	0.6
211.13405	8.6
215.00131	0.6
225.91147	0.5
233.36855	0.5
237.06186	0.5
249.22304	1.6
251.11412	1.0
275.20328	0.7
293.21289	35.7
294.21643	3.0
311.22342	100.0
312.22675	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	311.2235
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	1.3
59.01265	2.4
68.83083	0.4
69.03346	0.5
71.04905	0.6
71.43876	0.8
72.22130	0.4
97.02830	0.6
97.06479	1.1
99.08065	0.5
113.09630	3.3
121.10157	1.4
125.09640	1.8
127.11204	1.1
137.09642	1.0
139.11218	12.2
140.11481	0.6
149.05966	0.8
151.11151	0.6
153.09212	0.7
153.12823	0.5
153.52788	0.4
155.10733	0.8
163.11263	2.3
165.12822	1.2
167.10728	0.8
168.11514	0.7
171.10217	20.5
172.10548	1.0
182.13019	0.7
185.11700	2.0
193.12289	0.5
195.13841	0.5
196.11559	0.4
201.11258	1.5
211.13460	2.1
223.18356	0.4
231.20972	0.5
249.22324	2.3
265.21805	0.5
275.20157	1.8
291.19696	0.5
293.21274	45.4
294.21619	4.6
295.01996	0.4
311.22318	100.0
312.22644	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	311.2234
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.8
59.01273	3.8
69.85712	1.7
69.86134	1.6
70.84890	0.8
71.01263	0.8
73.37423	0.6
83.04920	1.0
97.06474	1.1
99.08009	1.5
113.09620	2.7
121.10124	1.0
125.09653	1.5
127.11211	2.6
129.09131	3.2
139.11214	6.4
155.10677	0.8
165.12851	1.0
169.12274	1.8
171.10222	27.8
181.12300	2.4
183.10155	1.5
183.13940	1.2
185.11743	5.4
193.12323	2.9
197.11801	6.4
199.13483	3.1
201.11320	3.3
211.13383	11.7
234.01384	0.7
247.15450	0.7
265.21750	0.9
275.20206	2.8
293.21292	20.9
294.21576	2.3
311.22333	100.0
312.22668	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	311.2023
Annotation	Longithorone K
Peak:m/z	Relative Intensity
59.01265	3.1
70.95570	0.6
89.91119	0.2
105.55599	0.2
133.06497	1.7
149.09659	100.0
150.09998	5.1
150.56635	0.2
168.70171	0.2
172.33360	0.2
183.01176	4.9
184.01921	0.4
192.40256	0.3
197.02838	0.3
198.43335	0.2
216.01038	0.3
251.11320	0.5
311.16891	11.5
311.20169	63.9
312.17160	1.0
312.20541	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2235
Annotation	Octadec-9-ene-1,18-dioic-acid
Peak:m/z	Relative Intensity
57.03334	0.8
59.01264	15.5
63.94633	0.7
64.22891	0.6
71.01266	1.2
71.54446	1.1
72.44830	0.7
85.02853	1.1
89.02348	1.2
90.07634	0.7
112.04918	0.8
123.08040	1.4
125.09651	3.3
139.11229	1.5
141.09158	1.0
141.12772	1.2
143.12997	0.9
149.06023	7.6
151.07439	0.7
153.09132	1.7
155.14404	1.8
157.12300	0.9
158.97218	0.7
161.04582	1.3
171.10262	3.9
174.73416	0.8
183.01184	1.1
200.10519	2.0
249.22351	2.3
251.11459	2.8
265.21753	1.3
267.22919	1.4
272.38446	0.8
293.21271	7.0
311.16602	2.9
311.22357	100.0
312.22668	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	311.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39063	0.7
59.01264	100.0
60.01607	0.8
65.99022	0.7
70.78598	2.0
71.01281	2.3
73.02866	0.6
75.30560	0.6
85.02861	1.2
89.02303	0.7
89.94600	0.6
99.04446	0.6
101.02384	2.1
113.02361	1.3
120.70444	0.6
135.04465	2.7
139.07585	1.0
149.00847	2.0
149.06049	2.9
161.04539	2.2
179.03490	2.5
197.17111	0.7
203.83189	0.6
224.63100	0.7
251.11371	4.1
293.21234	0.7
311.29770	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	311.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01608	1.3
66.74225	1.1
71.01264	8.8
71.44488	1.7
73.02845	2.1
82.44438	1.3
83.01273	1.4
85.02846	2.9
90.54509	1.3
99.00732	1.5
101.01801	1.2
101.02344	8.0
102.39973	1.3
104.59244	1.1
104.86809	1.1
113.02338	2.6
132.80472	1.2
141.83218	1.1
143.03336	1.3
149.06001	4.9
151.75400	1.1
159.22890	1.1
161.04498	8.9
176.36580	1.3
226.09816	1.2
251.08992	1.9
251.11412	25.4
254.84770	1.2
257.97842	1.3
311.29581	2.2
334.49799	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	311.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36876	0.7
59.01264	100.0
60.01571	0.9
68.45393	0.8
70.41776	1.9
70.42144	1.4
71.01274	6.2
73.02841	1.9
83.01289	1.4
85.02862	3.8
88.81164	0.8
89.02340	0.9
98.11384	0.8
99.00782	0.9
100.52155	0.9
101.02349	7.0
107.83106	0.8
113.02355	3.0
140.38091	0.8
149.06017	3.6
161.04475	7.4
200.66154	0.9
251.11382	24.0
252.11777	1.4
310.98834	0.8
311.29486	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01754	1.0
57.03329	2.0
59.01266	5.5
69.03341	1.4
69.42911	3.3
69.43340	4.0
71.01247	1.2
71.04902	1.1
80.02520	1.2
81.03333	4.6
81.68427	1.1
83.01283	7.2
83.04900	4.9
94.63951	0.9
95.04928	2.5
97.02809	2.4
97.06478	4.2
98.03626	2.0
100.77654	0.8
104.65952	0.9
111.75327	0.9
113.18481	0.8
123.04401	2.7
123.08059	3.5
125.05971	2.4
125.09637	10.9
127.07684	1.1
127.11221	1.0
135.08112	1.3
137.05943	1.3
137.09624	1.5
139.11208	9.7
141.09149	1.6
151.07547	1.5
151.11220	1.2
152.08345	1.8
155.10707	1.8
161.09637	0.9
162.10446	1.2
163.11218	7.4
165.09131	1.4
165.12822	14.8
167.10738	6.9
168.11484	1.4
170.94699	0.9
171.10287	5.0
172.16158	0.9
181.12276	5.2
183.13832	2.0
185.11763	3.5
191.10690	2.9
193.12433	1.3
193.15939	4.5
197.11816	2.6
207.10219	1.2
209.11823	56.6
209.15422	2.8
210.12180	4.3
211.13339	1.7
225.11034	1.1
247.20654	12.9
248.21008	1.6
265.21701	3.5
273.18582	4.2
281.21268	3.2
291.19733	100.0
292.20050	8.4
309.17068	3.5
309.20721	39.8
310.20963	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2078
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.76437	1.0
57.03330	2.2
58.39959	0.9
59.01269	7.6
59.95441	1.0
66.38942	1.1
69.03340	1.1
70.33788	2.5
70.34187	2.2
71.01266	1.1
71.04903	17.8
93.07040	1.2
93.29859	1.0
95.04929	1.7
97.06487	4.8
99.39191	1.2
101.97404	1.2
107.04948	1.8
111.08047	2.6
119.08608	1.1
121.10172	5.7
125.09628	3.8
135.08023	1.4
137.09645	15.1
149.06007	1.3
157.08640	3.8
163.11171	1.1
171.10220	48.4
172.10582	1.8
181.12195	1.2
185.11736	7.2
195.10100	1.7
197.11841	2.6
200.38834	1.2
211.13382	2.3
219.13872	1.8
233.15492	2.0
235.17110	2.5
237.15079	1.3
251.16547	17.7
252.16884	1.9
254.88223	1.2
273.18573	1.9
291.16391	1.8
291.19711	63.0
292.20108	6.0
309.20764	100.0
310.21143	9.2
330.63715	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08538	0.3
57.03325	1.0
58.85024	0.3
59.01251	1.3
70.32307	0.6
70.32685	0.6
71.01276	0.7
77.01740	0.4
80.02581	0.6
83.04905	0.7
93.06919	0.4
97.06480	0.4
98.20438	0.5
109.06484	0.9
111.08063	2.9
125.09634	1.1
127.11204	2.1
137.05885	0.6
137.09644	0.6
139.07649	0.4
139.11244	0.5
141.09157	0.7
149.09633	0.5
151.11212	1.3
153.09113	1.1
153.12773	5.1
155.10728	2.6
161.09586	0.4
165.12837	0.5
166.10043	0.5
167.10760	1.9
169.12274	1.4
171.10173	0.4
179.10732	0.7
179.14343	1.8
181.12285	4.2
193.15977	1.1
197.11797	4.3
199.13321	1.7
207.13841	2.1
209.15430	0.5
209.65657	0.4
215.12878	1.8
225.60257	0.4
226.11957	0.4
227.12904	1.3
228.13690	1.1
245.05107	0.4
245.19174	0.5
247.20705	4.7
248.21085	0.6
263.20071	0.8
265.21823	0.9
273.18527	1.8
281.21225	1.9
286.20496	0.4
291.19727	37.1
292.19989	3.6
309.20773	100.0
310.21100	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17524	1.0
53.89258	1.0
55.87599	1.1
57.03339	1.9
59.01257	3.1
67.01749	1.3
69.03342	7.1
71.04940	1.2
71.12611	2.7
81.03374	1.3
83.04923	2.1
95.94862	1.0
97.02260	1.8
97.02853	33.3
97.06474	2.1
99.00764	3.9
111.08064	2.0
113.05997	1.2
119.08581	3.9
121.10153	1.1
123.08101	1.8
125.06031	1.3
125.09628	5.4
137.09650	5.7
163.11235	3.9
165.12810	14.5
167.40666	1.1
171.10237	14.2
181.12314	4.4
182.12766	1.5
183.13840	1.3
185.11766	1.5
193.12292	4.0
193.15967	3.0
209.11845	6.3
209.15450	3.4
211.13345	3.0
223.13329	2.1
227.12952	7.0
247.20752	12.3
266.01062	1.4
273.18646	4.5
291.19720	100.0
292.20117	9.7
309.20770	68.2
310.21066	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25923	0.4
53.40451	0.5
57.03325	1.2
59.01249	1.4
70.94704	1.2
97.06479	1.6
98.03619	0.5
109.06497	0.6
111.08083	0.7
113.09621	2.5
115.07533	1.3
125.05985	1.0
126.06836	0.9
127.07524	0.5
139.11258	0.8
141.09137	1.4
163.11226	0.7
165.12810	3.5
167.10712	0.9
167.14346	2.6
175.11208	0.6
181.12291	4.0
183.13873	1.5
193.12294	2.0
193.16000	0.6
195.13878	1.5
211.13362	3.6
213.14969	0.7
217.15797	0.5
221.15483	2.0
227.12923	0.6
239.12811	0.7
240.13756	2.5
247.20702	3.6
255.15984	0.6
273.18704	2.7
281.21320	1.5
291.19724	38.4
292.20172	3.6
309.20776	100.0
310.21136	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.2
58.00434	1.2
59.01236	1.2
69.03358	1.4
71.12321	1.4
71.12641	1.6
73.02836	1.5
73.52468	1.0
77.13049	1.0
102.53600	1.1
107.13396	1.0
109.06499	1.5
111.08064	28.7
127.07550	2.6
130.84982	1.0
151.11295	1.9
153.09242	1.3
153.12752	1.9
169.12271	7.0
171.10249	1.5
181.12363	2.6
192.61081	1.1
197.11809	100.0
198.12109	5.2
199.13332	3.8
211.13417	9.7
227.12885	2.2
263.20264	6.3
265.18188	3.2
273.18741	2.2
291.19733	19.9
292.20288	1.8
295.45294	1.0
309.20795	43.8
310.21127	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	2.9
59.01261	10.1
59.01517	2.0
65.32307	2.4
69.21198	2.2
71.04886	2.6
71.13648	4.9
71.13984	3.8
80.02566	9.9
81.03352	5.0
83.04914	22.4
84.02039	9.4
89.73194	1.9
97.02849	3.1
97.06458	4.4
97.31564	2.0
99.08025	6.5
102.17431	1.9
109.06498	2.9
111.08067	3.9
115.07567	5.0
123.04453	2.9
123.08008	2.8
125.09617	5.9
127.11169	3.1
137.09651	37.4
139.11189	8.5
141.09103	2.8
151.11238	3.5
152.08316	4.4
153.09122	10.0
153.12784	2.2
155.10716	41.6
165.12724	2.7
167.10718	6.6
169.12263	2.5
171.10217	55.0
172.10561	2.0
187.61284	2.3
193.12303	24.8
197.11807	6.0
209.11780	6.1
209.15456	5.7
211.13399	6.2
247.20717	6.9
263.20227	4.4
265.21634	5.7
291.19711	100.0
292.20004	9.1
309.17084	8.1
309.20731	100.0
310.21100	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	309.2076
Annotation	Unknow
Peak:m/z	Relative Intensity
56.43203	0.7
57.03322	1.8
57.42620	0.8
59.01259	1.9
69.03345	1.8
69.21626	0.8
69.84921	1.7
69.85334	3.9
71.70580	0.7
83.04902	1.1
95.01269	0.9
95.04910	1.0
97.02859	5.4
97.06492	0.9
99.00750	2.1
99.20815	0.7
99.76475	0.8
109.06487	0.9
111.08074	2.9
114.61368	0.9
119.08543	2.0
123.08115	1.0
125.09641	2.7
137.09648	3.7
141.12822	1.3
151.03986	6.9
151.07561	10.7
152.08377	10.8
153.12910	0.9
162.10463	1.4
163.11241	4.8
165.09200	1.3
165.12816	6.2
167.10742	0.9
171.10225	11.1
175.57079	0.8
179.14316	2.3
181.12245	3.8
184.07336	2.3
185.11800	2.8
193.08586	0.9
193.12245	1.1
197.11784	8.9
201.11279	1.1
208.11055	1.7
209.11723	1.5
209.15445	15.8
210.15880	1.1
211.13403	1.9
213.11276	1.7
217.00868	0.8
223.13394	2.4
247.17072	1.4
247.20770	7.8
248.20934	0.9
252.10017	3.3
265.18118	4.4
273.18594	4.1
291.19705	92.1
292.20099	9.2
309.17130	31.1
309.20764	100.0
310.17410	2.7
310.21115	12.2
317.17587	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
55.01762	1.1
57.03312	2.8
59.01261	14.4
59.26217	0.8
60.21005	0.9
68.79726	0.9
70.55367	0.8
71.01257	2.2
71.04904	14.2
71.58826	1.1
71.59258	1.4
83.04912	2.0
89.02331	1.0
89.80322	0.8
93.03329	1.2
95.04900	1.4
96.95892	0.9
97.06479	6.1
98.13379	0.8
101.02321	1.2
107.04951	1.9
107.08620	0.9
111.08054	1.5
113.02334	1.0
119.08560	1.8
121.06521	1.1
121.10151	11.1
123.04446	1.6
123.08065	1.0
125.09619	8.7
135.08084	1.2
137.09642	19.2
141.12704	0.9
151.11160	1.2
161.04477	1.0
171.10213	38.3
172.10568	0.9
181.12257	1.9
183.10225	1.8
185.11780	15.9
197.11763	6.4
206.05811	1.1
207.13879	1.9
209.11810	3.3
211.13329	1.6
213.91679	0.9
219.13817	1.0
221.15479	1.2
223.13396	1.2
235.16985	2.6
237.14937	2.8
239.16566	1.5
247.20645	2.2
251.16554	39.4
252.16873	2.2
273.18588	2.0
291.19705	86.2
292.20026	9.9
309.20746	100.0
310.21146	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	309.2078
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.53637	0.6
56.55627	0.6
57.03346	3.1
59.01266	9.6
61.47142	0.6
65.38032	0.6
69.03352	1.8
71.01283	1.2
71.04909	14.3
71.58967	0.9
78.95813	1.1
83.04942	1.1
85.02833	0.8
89.02370	0.6
93.06988	1.0
95.04942	0.7
97.06490	5.0
107.04952	1.8
111.08067	0.9
119.08603	1.6
121.10149	10.5
123.08114	2.2
125.09633	8.9
135.08090	1.5
137.09653	18.5
138.09970	1.3
141.12766	2.7
142.33673	0.6
144.91206	0.6
147.08115	0.9
161.04530	0.6
171.10214	38.2
172.10612	1.6
177.12709	0.8
181.12273	1.1
185.11790	16.4
186.12100	0.9
187.27719	0.6
193.15985	0.7
197.11786	3.7
201.92830	0.6
207.13873	2.0
207.17542	1.0
209.11815	2.3
211.13379	1.6
219.13908	1.7
223.13330	1.0
233.15356	0.8
235.17088	2.8
237.14993	2.8
247.13560	0.8
247.20657	1.6
251.16556	41.9
252.16974	3.2
273.18625	1.9
291.19720	100.0
292.20038	8.8
309.20767	90.6
310.21069	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76518	1.8
56.45107	2.0
57.03333	5.6
58.00488	2.7
59.01013	1.9
59.01268	17.1
69.55835	4.2
69.56246	11.6
71.01266	3.3
73.02801	2.0
80.02563	7.4
83.04920	2.1
95.04910	2.1
97.06483	2.2
109.06441	2.0
111.08089	3.4
123.08088	15.8
125.09634	22.3
127.11205	6.9
137.09659	15.7
139.11180	7.2
141.09125	4.3
144.45583	2.4
151.03929	3.5
151.07576	6.6
152.08340	4.6
155.09528	3.4
155.10712	46.0
156.10954	2.4
159.86853	1.9
167.10666	5.7
171.10219	100.0
172.10484	4.5
185.11790	94.2
185.13457	4.6
186.12018	3.5
193.16061	2.1
197.11757	6.1
209.11789	2.1
209.15497	11.9
211.13336	2.6
212.10536	4.7
221.04712	2.3
247.20692	6.4
258.21722	2.0
263.20163	8.6
265.21799	4.7
273.18524	4.3
281.21228	16.1
291.19760	46.2
292.19968	3.4
309.17133	14.8
309.20743	65.7
310.17743	2.9
310.21127	6.2
312.15680	2.2
325.23550	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01271	1.4
69.03361	1.6
70.03407	5.2
80.50311	1.0
83.04885	1.1
98.20681	1.1
109.06530	1.5
111.08070	34.3
112.08347	1.3
127.07572	2.2
131.92041	1.1
151.11200	1.3
153.12813	2.3
169.12306	8.5
171.10201	1.1
179.10709	1.0
181.12323	2.2
183.13847	1.6
188.89146	1.0
197.11807	100.0
198.12178	6.1
199.13319	2.8
209.15556	2.4
211.13423	9.0
212.13641	1.6
225.14909	1.2
227.12921	2.2
233.15428	1.2
247.20743	1.0
251.16536	1.7
263.20285	5.1
265.18134	3.0
273.18707	3.1
291.19730	21.3
292.20157	1.4
309.20776	44.1
310.21158	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	309.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03343	7.3
59.01279	40.8
69.03323	6.1
71.01276	6.3
71.53770	9.1
97.06470	16.3
111.08060	17.2
119.08583	6.8
120.30136	5.2
121.10121	21.1
125.09650	17.8
151.03999	6.1
151.07574	16.3
152.08333	10.2
153.12689	6.7
160.37515	4.7
167.10757	7.1
171.10213	18.6
179.10696	6.5
181.12297	8.4
183.13863	27.9
185.11794	24.7
195.13901	6.3
197.11797	23.5
209.11801	9.9
209.15462	29.3
211.13385	23.7
247.20712	16.0
261.77048	5.0
265.18085	6.0
273.18750	5.7
275.20172	6.7
291.19705	100.0
292.20032	9.9
309.15036	14.5
309.17175	33.4
309.20761	92.4
310.21170	6.8
320.21121	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06187	1.5
57.03333	2.8
58.00467	1.7
58.41383	1.4
58.62111	1.4
59.01265	2.2
63.74120	1.5
69.03342	6.1
70.58954	3.4
75.11783	1.5
97.06542	1.8
111.08044	2.6
119.08555	16.3
121.06479	1.4
121.10159	2.2
125.09630	8.3
127.11176	3.7
135.08076	3.0
137.09653	29.4
139.11194	1.5
151.11198	2.8
155.10707	4.7
167.10748	4.2
171.10222	100.0
172.10562	4.1
183.10307	4.4
185.11833	25.5
197.11823	7.8
201.11311	7.2
209.15511	3.7
211.13306	2.7
213.11281	7.3
251.11894	1.5
273.18704	9.9
291.19724	41.4
292.20065	3.1
309.17346	3.2
309.20746	46.8
310.21179	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	309.2077
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
51.25396	0.9
53.28302	1.3
57.03317	2.6
59.01265	5.4
64.38163	0.9
69.03329	2.6
71.04904	4.4
71.13984	1.1
71.14317	2.2
71.21129	0.8
72.05216	1.0
73.02811	1.2
83.04883	0.9
83.35323	0.9
85.02799	1.2
97.02833	2.8
97.06484	2.7
107.47269	0.9
108.08472	0.9
109.38376	0.9
111.08057	1.5
121.10173	2.7
125.09619	2.2
171.10281	1.8
185.11740	3.9
187.70323	1.0
195.13866	10.8
195.73325	1.0
198.57434	0.9
201.73415	1.0
207.13913	3.3
207.17511	4.2
209.15472	1.3
211.13390	14.7
214.63705	1.1
221.15475	5.5
223.14870	1.5
223.17047	24.7
224.17410	2.5
229.53807	1.0
233.15509	12.9
234.15729	1.4
235.16949	1.7
251.16562	92.6
252.16913	6.4
273.18750	3.5
291.19727	38.5
292.20081	3.0
308.91418	1.0
309.20764	100.0
310.21106	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	309.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03324	1.9
59.01265	1.5
67.01781	0.9
68.27045	0.7
69.03347	3.9
70.39155	0.7
71.04916	1.9
71.14188	1.9
83.04897	1.9
85.02844	2.5
85.06454	0.9
95.04945	1.2
95.58219	0.8
97.02851	35.5
98.03187	1.1
109.06490	1.4
119.08565	1.1
123.08028	0.9
125.09657	1.3
137.09641	9.4
151.11220	1.4
153.09113	1.0
165.12717	1.1
171.10222	16.8
177.12778	1.6
179.14333	0.9
181.12297	0.9
183.13928	1.9
185.11765	1.4
193.12300	1.5
195.13890	6.7
207.17485	1.1
211.13409	2.9
218.57375	0.9
221.11870	2.4
221.15417	2.4
223.13425	1.1
223.17041	4.1
229.19640	0.9
233.15463	3.3
239.12888	2.7
239.16594	1.1
247.20712	2.5
251.16565	17.7
252.16960	1.5
263.20053	0.9
273.18713	2.6
291.19730	36.6
292.20117	3.3
309.20770	100.0
310.21094	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	309.2078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92913	1.4
57.03317	2.7
58.00493	2.0
59.01257	5.1
69.03336	6.4
71.12457	3.0
77.51757	1.6
80.01201	1.4
108.05723	1.4
111.08051	6.3
114.86118	1.5
119.08585	20.1
121.10127	1.9
125.09629	6.7
127.11221	3.7
135.08052	2.5
137.09657	37.8
139.11212	1.4
149.09618	2.0
152.08421	2.0
155.10680	2.6
167.10727	3.4
169.12326	2.2
171.10228	100.0
172.10556	4.9
183.10216	6.2
185.11794	27.5
193.14574	1.9
197.11806	16.9
201.11319	7.8
209.15546	2.4
211.13429	3.8
213.11360	9.1
225.15007	4.7
229.19582	3.5
273.18680	14.7
291.19748	37.1
292.19995	3.6
309.17334	2.9
309.20776	85.8
310.21091	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	309.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01599	1.1
65.72197	0.4
69.87236	2.5
71.01281	1.5
73.02834	0.8
73.81194	0.4
83.01292	0.4
85.02876	0.8
87.00777	0.5
93.82726	0.4
98.19841	0.9
98.20441	0.7
101.02358	1.5
113.02367	0.8
134.03664	0.4
137.02396	0.4
138.45161	0.5
161.04451	0.5
204.35246	0.4
239.40248	0.4
249.13475	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	309.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42582	0.5
57.87159	0.4
59.01263	100.0
59.94044	0.5
60.01600	1.2
70.04569	2.2
71.01276	0.9
75.00740	0.4
78.86919	0.5
85.02863	0.5
87.10851	0.4
94.54166	0.5
96.95896	0.4
101.02367	1.8
103.17367	0.5
113.02360	0.7
125.82182	0.5
161.04514	0.9
193.05109	0.6
218.96170	0.5
245.97348	0.5
249.13469	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.135
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01261	100.0
60.01593	0.8
61.98730	0.9
71.01269	0.5
93.06994	0.4
95.93878	0.3
97.43256	0.3
98.20657	0.7
105.06998	0.4
117.95526	0.3
150.06833	1.2
159.11711	0.4
161.13295	8.2
187.11252	0.4
205.12311	36.0
206.12669	2.9
223.13490	1.0
229.50044	0.5
234.32335	0.4
249.11359	2.8
297.88489	0.4
309.13467	1.0
309.20627	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10260	0.5
57.00857	0.5
59.01263	100.0
60.01609	1.1
61.44706	0.4
61.98715	1.0
69.03339	0.9
71.01277	2.1
71.56702	1.0
72.99205	1.0
75.00780	0.6
83.04932	0.6
87.00797	0.9
89.02345	1.1
92.22542	0.4
96.95936	1.1
97.02863	1.9
101.02375	0.7
105.06973	0.7
135.04480	1.3
135.08099	1.7
136.04771	0.7
137.02409	0.7
137.04919	1.0
138.05603	0.6
141.01901	0.9
149.06039	1.4
150.06758	0.7
161.13304	11.7
162.13718	0.6
163.03969	0.9
165.04570	0.5
191.03537	1.6
192.03905	1.5
193.03821	2.2
194.04854	1.1
205.12323	38.4
206.05914	0.8
206.12727	2.6
221.08199	0.7
223.13457	1.4
249.11259	4.6
266.06741	0.6
267.12497	1.9
291.07483	0.6
309.20663	1.0
310.72986	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1198
Annotation	Abealpha1-3Manalpha
Peak:m/z	Relative Intensity
55.01768	1.6
55.06961	0.8
57.28402	0.8
57.46093	0.7
58.00483	2.4
59.01266	65.1
59.19653	0.8
69.62246	0.8
70.70264	1.6
70.70644	1.9
71.01270	31.2
72.99199	3.8
73.02837	2.5
83.01258	1.8
85.02842	6.1
87.00764	1.4
89.02335	30.9
95.01298	3.0
100.43309	0.8
101.02348	22.9
101.05995	1.8
105.67714	0.8
111.04433	1.0
113.02353	12.9
117.01859	4.3
119.03413	14.7
119.28192	1.0
129.05498	8.3
131.03436	1.4
143.03413	1.6
147.06575	8.9
161.04494	2.0
172.03850	0.9
179.05507	1.4
200.46130	0.9
309.11972	100.0
310.12274	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	309.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54217	0.7
55.01778	0.8
58.00468	2.0
59.01263	53.5
60.01596	0.6
60.74204	0.6
71.01268	26.8
71.04906	0.9
71.57359	1.0
72.99197	2.2
73.02826	7.6
75.00747	1.8
75.46014	0.6
79.31209	0.6
83.01274	1.8
85.02842	5.6
87.00773	1.8
89.02337	29.1
90.94754	0.7
95.01299	1.9
96.95927	0.7
99.00780	1.3
101.02343	18.1
101.05987	1.1
101.97607	0.6
103.00314	0.6
111.04380	0.7
113.02354	11.9
117.01859	11.4
119.03409	13.4
129.05505	8.6
143.03416	1.3
147.06573	7.3
149.04504	1.1
161.04460	2.1
179.05470	1.5
194.40059	0.6
201.07330	0.6
221.47609	0.7
296.67706	0.7
309.11957	100.0
310.12320	5.3
332.73395	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50477	1.1
59.01262	5.6
67.25956	1.2
69.38528	11.3
70.75970	1.1
75.00775	1.1
86.51275	1.2
110.15392	1.2
111.94060	1.2
120.20612	1.2
121.02874	8.9
123.00828	1.8
124.95303	1.1
134.03667	58.0
135.04057	1.6
136.05234	11.2
138.03185	1.6
145.02881	2.4
147.04448	4.1
149.02367	3.2
149.06021	100.0
150.06345	4.4
150.17793	1.3
161.02386	1.6
162.06757	2.3
163.03946	13.4
164.04530	1.9
168.04237	4.2
173.02457	2.2
177.05504	1.9
191.03484	31.6
205.05096	4.0
206.05841	85.5
207.06232	7.3
221.08195	82.8
222.08463	4.8
225.34435	1.4
318.35141	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	307.2286
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
59.01252	2.2
70.76812	1.6
70.77146	1.1
117.53058	0.8
121.11808	0.8
139.33485	0.7
161.04503	1.0
307.22842	100.0
308.23141	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	309.0622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03509	1.2
57.12855	1.3
59.01252	3.8
60.66605	1.6
71.45575	2.5
76.71507	1.7
92.96031	1.4
104.31580	1.7
119.04906	1.4
121.02856	4.7
134.03656	36.4
134.35037	1.6
136.05200	5.1
138.90157	1.9
147.04436	6.0
149.02370	2.6
149.06013	79.1
150.06303	5.8
162.06769	5.6
163.03909	7.3
168.04230	1.8
173.02432	2.1
191.03487	24.5
205.05026	4.8
206.05823	100.0
207.06267	5.4
221.08180	96.5
221.09985	0.9
222.08467	6.4
290.03534	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	14.5
59.01270	15.1
69.03326	7.3
70.06271	14.3
71.01282	13.1
80.02543	3.2
83.04900	8.5
88.32465	2.6
89.61048	2.6
93.03356	3.7
93.60017	2.4
95.04908	4.8
97.06488	23.2
106.04264	3.0
109.06512	4.5
111.08082	12.7
123.04437	6.0
125.09645	9.4
137.09642	5.4
144.91519	3.2
149.09650	4.5
151.11211	31.2
153.09117	5.2
153.12794	5.2
155.10655	15.9
161.09525	4.9
163.11218	9.2
165.12796	34.3
167.10727	9.3
169.12292	4.7
177.12743	5.7
179.10748	12.3
181.12309	46.6
191.10703	22.1
191.14412	8.9
205.12280	4.3
206.56665	2.7
209.11809	90.2
210.12184	5.9
211.13350	8.0
212.67291	3.0
224.10501	4.5
229.09689	2.7
239.09311	3.1
245.19157	38.5
263.20206	9.8
271.17093	4.0
279.19708	6.7
289.15149	5.8
289.18121	48.7
290.18372	6.4
307.15714	5.2
307.19226	100.0
308.19543	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06857	2.0
57.03334	14.8
57.34291	2.2
59.01263	18.9
65.89410	1.9
69.03344	4.6
70.44930	3.6
70.45354	6.9
70.96683	2.2
71.01259	16.4
73.56094	2.2
73.57138	2.3
80.02577	4.2
80.36411	1.9
81.03338	4.3
83.04901	9.7
95.04928	6.5
97.06476	25.6
105.76287	2.2
106.04140	3.5
109.02809	2.6
109.06510	5.7
111.08074	15.3
117.45193	2.2
121.02863	3.1
121.06489	11.5
123.04419	4.3
123.08046	5.6
125.09653	12.8
135.04462	3.1
135.08060	8.1
137.05934	2.3
137.09624	6.4
147.11684	3.2
149.09621	3.8
151.11217	28.9
153.09120	9.9
153.12740	3.9
155.10667	11.7
161.04517	2.5
163.11237	9.8
165.12790	39.1
167.10660	6.2
168.11418	2.7
169.12297	3.4
171.10228	19.2
177.12660	3.0
179.10655	10.3
181.12297	43.4
182.12517	2.6
185.11821	30.8
191.10725	23.0
191.14345	8.8
196.31390	2.2
197.11856	2.7
205.12263	3.0
209.11821	100.0
210.12138	4.8
211.13354	9.5
217.15993	2.5
224.10316	2.6
225.11276	3.0
239.09280	3.1
245.19115	38.5
261.18570	6.4
263.20203	10.0
271.17020	7.1
279.19669	8.6
289.18164	50.7
289.21118	4.2
290.18552	5.6
307.19199	84.4
308.19504	7.9
326.75519	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	6.6
57.03754	0.7
59.01263	8.9
65.09086	0.7
67.01723	2.6
69.03289	2.5
70.91994	1.5
71.01227	1.5
71.04860	0.8
79.95575	3.1
80.02529	2.3
81.03349	5.1
83.01277	9.5
83.04916	6.4
85.02811	1.1
93.03313	1.0
95.01260	0.8
95.04924	5.3
96.95860	0.7
97.02852	6.9
97.06488	11.5
106.04112	1.6
107.04910	1.6
109.02838	1.2
109.06499	3.8
110.03609	1.2
111.08063	0.8
113.05949	0.8
119.08540	2.1
121.02787	1.4
121.06514	3.5
121.10100	1.1
123.04441	10.5
123.08067	3.5
125.05949	2.1
125.09643	18.8
127.07497	1.2
135.04425	1.2
135.08096	3.8
136.05161	1.0
137.05957	2.3
137.09639	14.6
139.11156	0.9
141.12787	3.4
142.02603	2.5
147.04356	0.8
148.08867	0.9
149.05969	2.7
149.09662	1.6
151.07513	0.7
151.11145	2.0
160.08823	0.7
161.04460	1.4
161.09636	1.5
162.10440	1.5
163.07555	2.1
163.11241	21.0
164.11421	0.7
165.09038	1.9
165.12810	5.6
166.09901	1.0
167.10646	2.4
171.10168	1.3
175.11176	1.4
177.12746	2.4
179.10701	2.9
181.12329	4.3
185.11800	23.8
189.12779	1.1
191.03383	0.7
191.10732	3.7
191.14386	21.6
192.14659	0.9
195.10197	0.9
197.11806	0.9
202.13605	1.1
205.12259	0.9
207.10240	12.2
209.11819	52.8
210.12129	2.0
211.13368	2.2
215.14456	0.7
217.15929	2.7
225.11311	13.2
226.11880	2.0
227.18082	1.1
243.17630	0.9
245.19121	47.0
246.19507	3.8
247.17014	1.1
249.14880	0.9
261.18765	0.7
263.20193	19.6
264.20450	1.2
265.18152	1.0
271.17075	6.2
279.19626	1.0
287.16498	0.9
289.18152	100.0
290.18503	8.8
307.11072	1.6
307.19208	55.6
308.19260	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	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	5.1
58.22425	1.4
59.01273	7.9
69.99912	9.3
74.19331	1.6
74.31779	1.5
78.78589	1.7
80.02573	1.6
81.03356	6.5
83.01278	6.9
83.04912	3.2
95.04931	5.3
97.02866	6.5
97.06493	6.6
98.20544	2.8
109.06455	2.6
121.06580	1.7
123.04479	8.8
123.08081	4.7
125.09632	18.0
135.08067	4.6
136.05281	1.6
137.09676	11.4
141.12735	2.4
149.06004	2.8
150.10449	1.9
151.11220	2.9
161.09590	2.4
163.07637	2.1
163.11198	16.1
165.12856	1.9
171.10158	2.3
174.88449	1.6
177.12852	2.5
181.12299	5.6
185.11787	19.2
191.10760	3.3
191.14366	22.1
191.39549	1.6
200.45042	1.7
207.08562	1.9
207.10272	7.7
209.11827	37.4
211.13501	2.9
217.16045	3.8
225.11342	6.4
226.11920	1.9
237.93141	2.0
245.19136	47.6
261.18857	2.6
263.20041	2.9
266.37759	1.6
271.17145	5.0
289.18155	100.0
290.18527	6.4
307.19208	60.1
308.19547	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01262	5.2
63.65351	1.0
71.01276	1.4
71.14482	1.1
71.14822	2.1
83.04922	2.0
83.96328	1.1
93.03387	1.5
95.04910	1.0
97.06487	1.7
99.08037	1.8
101.05935	0.9
106.04163	1.2
106.31299	1.3
109.06488	2.8
123.08057	2.0
125.02369	1.0
125.09625	2.2
127.07557	7.0
135.04411	1.4
137.02298	1.2
137.09624	2.6
138.06711	1.2
149.09599	1.7
151.11188	4.2
153.09120	2.2
153.12726	1.5
155.10727	6.6
163.11224	1.9
166.09911	1.8
167.10713	2.9
169.12285	1.0
177.09108	1.2
177.12755	3.2
179.10690	1.6
181.12297	1.3
185.11934	1.2
191.14413	4.8
193.02303	1.1
195.10284	1.3
195.13777	1.5
197.11871	1.5
205.12302	2.2
217.15988	1.4
223.13345	1.5
224.10548	1.4
225.11351	1.3
237.54819	1.0
239.09251	2.9
245.19145	24.0
249.14995	1.0
263.20178	8.0
271.17059	2.0
279.19644	2.5
289.18167	48.7
290.18491	4.2
307.19220	100.0
308.19635	6.9
319.78964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	4.0
55.19011	1.4
57.03324	4.2
59.01262	8.6
61.98718	7.5
65.03848	60.2
69.03345	1.8
70.88961	2.5
70.89317	3.6
71.01273	2.1
71.04529	2.9
71.04905	32.2
74.32683	1.4
83.04887	2.1
87.00787	1.6
97.06491	74.5
104.06305	1.3
113.84469	1.4
119.08575	15.0
121.06512	100.0
122.06831	3.0
123.08073	4.1
125.04865	1.6
125.09642	39.0
135.04411	2.8
137.09644	3.5
141.12782	1.8
150.21126	1.4
161.04547	2.2
163.04027	1.7
163.11203	1.7
185.11798	86.3
186.12170	3.3
191.03545	3.3
192.04216	1.6
202.21925	1.4
209.11832	38.2
210.12032	2.6
211.13376	36.2
217.12296	2.2
233.15462	1.6
235.13403	91.2
236.13692	6.9
249.15005	1.7
279.19299	1.9
289.18152	21.7
290.18106	2.0
290.89249	1.6
307.03671	1.6
307.15710	1.9
307.19217	34.6
308.19507	2.4
317.12717	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	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	3.7
57.18576	0.8
59.01258	2.6
63.22840	0.8
67.92290	0.8
69.25551	3.0
69.25973	5.7
71.04900	0.9
80.02567	1.4
81.03347	3.2
83.04902	1.0
95.04919	1.6
97.02846	3.6
97.06477	1.6
97.61163	0.8
98.20576	2.0
99.44895	0.8
101.44712	0.8
109.06494	1.7
111.04363	1.0
121.06505	1.2
123.04431	5.8
123.08109	1.8
125.09648	7.8
135.08083	1.5
137.06021	1.4
137.09647	5.3
141.12793	1.7
149.06015	2.5
161.16574	0.8
163.07567	1.6
163.11217	8.8
165.12845	1.0
167.90741	0.9
171.10158	1.4
177.12868	1.2
179.10741	1.6
181.12332	1.8
185.11777	15.3
189.12706	1.2
191.14371	13.3
192.14732	1.5
207.10272	7.2
217.15944	1.6
225.11372	6.2
243.17894	1.0
245.19142	28.4
246.19412	1.8
271.17157	3.9
289.18152	100.0
290.18500	7.1
307.19211	47.4
308.19345	4.1
312.01135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01755	3.8
57.03329	6.0
59.01017	1.4
59.01261	11.6
65.03845	65.0
66.04182	2.0
69.03318	3.6
71.01261	3.7
71.04905	46.0
73.43619	1.3
75.84855	1.6
81.03339	1.9
81.50282	1.4
83.04910	5.8
85.02805	2.5
93.03344	11.0
97.06489	80.4
98.06799	2.3
106.04131	2.8
108.02062	1.7
109.02851	2.8
109.06546	3.3
117.06983	9.7
119.04944	2.8
119.08571	27.3
120.05711	1.4
121.02814	1.4
121.06506	100.0
122.06829	4.4
123.08073	4.8
125.09639	52.2
126.09953	1.7
133.06508	2.3
135.04414	3.9
135.08080	53.6
136.08426	1.5
137.09628	5.7
141.12762	2.8
147.04353	1.6
147.05635	1.3
153.53560	1.4
161.04504	4.9
163.11255	3.1
171.10223	41.5
172.10648	1.6
185.11797	79.9
186.12170	3.5
191.03456	7.2
192.04178	1.9
209.11821	42.1
210.12210	1.6
211.13385	38.2
217.12239	2.3
235.13399	95.2
236.13718	5.5
245.19244	2.5
249.15062	2.3
271.17169	2.0
278.77872	1.5
279.19580	2.6
289.18152	51.4
290.18399	3.1
307.10513	2.2
307.19205	47.3
308.19568	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	307.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03318	1.0
59.01262	5.2
63.65351	1.0
71.01276	1.4
71.14482	1.1
71.14822	2.1
83.04922	2.0
83.96328	1.1
93.03387	1.5
95.04910	1.0
97.06487	1.7
99.08037	1.8
101.05935	0.9
106.04163	1.2
106.31299	1.3
109.06488	2.8
123.08057	2.0
125.02369	1.0
125.09625	2.2
127.07557	7.0
135.04411	1.4
137.02298	1.2
137.09624	2.6
138.06711	1.2
149.09599	1.7
151.11188	4.2
153.09120	2.2
153.12726	1.5
155.10727	6.6
163.11224	1.9
166.09911	1.8
167.10713	2.9
169.12285	1.0
177.09108	1.2
177.12755	3.2
179.10690	1.6
181.12297	1.3
185.11934	1.2
191.14413	4.8
193.02303	1.1
195.10284	1.3
195.13777	1.5
197.11871	1.5
205.12302	2.2
217.15988	1.4
223.13345	1.5
224.10548	1.4
225.11351	1.3
237.54819	1.0
239.09251	2.9
245.19145	24.0
249.14995	1.0
263.20178	8.0
271.17059	2.0
279.19644	2.5
289.18167	48.7
290.18491	4.2
307.19220	100.0
308.19635	6.9
319.78964	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1407
Annotation	NSC-224070
Peak:m/z	Relative Intensity
58.00460	1.6
59.01266	100.0
60.82621	1.0
65.92440	1.0
66.84937	0.9
71.01266	13.0
71.08889	1.0
71.55820	1.8
72.99207	2.1
73.02836	1.9
75.00758	1.8
83.01295	1.7
85.00578	1.0
85.02856	2.9
89.02343	9.4
94.22911	1.0
94.41026	1.0
96.95919	2.6
98.73141	1.0
100.08374	1.0
101.02341	8.9
108.80781	1.0
113.02376	4.4
119.03410	3.4
120.99569	23.7
127.07576	2.6
145.08672	9.9
160.01596	2.9
161.02374	2.2
161.04469	2.1
162.39853	1.0
180.03484	6.2
206.81404	1.2
211.65009	1.0
263.03671	1.3
263.07300	1.8
307.08417	2.9
307.14075	42.7
308.14407	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	307.1405
Annotation	NSC-224070
Peak:m/z	Relative Intensity
57.03330	0.7
58.00472	1.5
59.01266	41.4
71.01270	23.0
71.01672	1.1
71.56231	1.0
72.99208	2.3
73.02827	1.8
75.00764	1.4
83.01282	1.7
85.02847	5.2
87.00757	1.9
87.36750	0.6
88.27417	0.4
89.02341	20.5
95.01279	1.4
96.95898	1.7
99.00765	1.0
99.08060	23.5
100.08406	0.6
101.02357	15.3
109.58072	0.6
113.02341	8.2
113.09560	0.6
119.03411	6.6
127.07564	5.8
129.09126	2.0
131.03461	0.8
131.04422	0.6
135.04562	0.7
141.09167	2.4
143.03413	0.7
145.08649	62.3
146.08977	2.3
148.05231	2.0
149.05978	1.4
161.04567	0.9
176.04747	1.6
177.09186	4.7
179.05461	0.6
182.04543	1.2
187.03992	0.8
187.07715	0.9
187.09731	1.9
188.04832	0.9
205.08691	7.1
217.08734	1.7
228.07718	0.6
245.08148	0.9
267.96747	0.6
271.09747	1.0
289.11142	1.9
307.14053	100.0
308.14478	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	307.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66517	0.4
59.01258	3.7
63.41822	0.4
64.90473	0.5
71.01264	1.2
74.98952	4.3
85.02838	0.7
91.02110	2.3
93.00033	3.4
101.02345	0.4
113.02392	0.5
125.09661	0.5
135.04448	0.6
149.00893	2.1
155.45819	0.4
159.08412	6.7
160.08588	0.5
161.04503	1.4
161.06334	1.5
179.03416	0.5
192.98122	0.6
206.99684	1.4
209.01279	2.6
217.07338	0.6
217.12132	0.4
223.02849	45.9
224.02875	4.1
225.00793	0.5
241.03905	1.1
245.19186	0.5
266.19238	0.4
289.07611	1.7
289.18124	1.2
291.09177	100.0
292.09335	10.0
307.12653	3.5
307.19193	1.8
308.12250	0.4
309.10162	2.4
317.43674	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10123	0.2
59.01254	1.2
65.06683	0.2
69.99891	0.4
70.00294	0.8
71.01270	0.3
74.98962	4.1
75.96082	0.2
82.57063	0.2
85.02834	0.3
87.30164	0.2
91.02097	2.6
93.00033	3.0
102.14482	0.2
108.69907	0.2
122.28887	0.2
148.19133	0.2
149.00905	2.3
156.22992	0.2
156.24451	0.2
157.05051	0.2
159.08412	7.1
161.04471	0.5
161.06332	1.7
165.54916	0.2
191.03461	0.2
192.98055	0.3
204.60229	0.2
206.99698	1.6
207.99597	0.2
209.01256	2.5
217.07237	0.7
223.02837	48.1
224.02904	3.9
225.00761	0.4
241.03888	1.3
242.04196	0.2
245.19124	0.6
275.06006	0.5
284.58911	0.2
289.07559	1.4
289.18060	1.1
290.07834	0.3
291.09158	100.0
292.09283	11.0
307.12372	4.5
307.19220	2.3
307.22586	0.3
308.12402	0.6
309.10190	1.9
310.10178	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77760	0.6
52.27184	0.6
57.25235	0.6
59.01254	2.5
64.47561	0.6
69.25435	7.8
71.01266	3.9
72.00799	0.7
72.04434	5.8
85.02825	0.8
87.00799	0.8
87.05538	3.0
88.03933	3.9
88.38786	0.7
91.05430	3.3
93.03320	1.0
95.04886	0.8
96.93842	0.7
97.03954	1.2
97.06492	1.9
99.00751	0.9
99.05553	1.2
100.03943	27.2
106.04281	0.7
107.04934	2.9
108.02080	21.2
108.02824	1.1
109.02871	26.6
109.03969	1.3
114.01875	0.8
115.05042	23.4
117.03400	1.6
118.06548	1.2
119.04968	4.8
121.02869	11.3
128.01666	0.6
129.03352	2.2
134.03651	3.1
135.04449	35.5
136.01578	2.4
136.04831	0.9
137.02376	1.0
144.02969	11.1
145.02872	4.8
146.03661	0.7
147.04454	17.8
148.05260	4.2
149.06009	2.2
150.03178	1.3
151.03946	0.9
161.02382	1.7
162.03166	2.7
163.03960	27.6
164.04384	0.9
173.02379	5.9
174.03140	0.8
176.07118	4.6
177.09125	1.2
190.04893	1.0
191.03470	100.0
192.04224	21.3
193.05013	3.9
201.10341	2.5
205.08687	3.0
219.11435	1.1
220.06152	0.8
235.10898	13.4
245.09392	7.0
245.60483	0.7
263.10434	5.4
271.09781	0.8
289.08173	0.8
289.10889	3.4
289.13901	0.7
307.12079	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	305.1764
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
55.01735	2.6
55.62524	2.5
59.01269	36.9
61.98714	5.7
71.01247	3.0
71.04899	10.0
71.33064	2.1
73.02827	3.5
77.38098	2.6
83.04913	3.5
88.20903	2.4
95.04975	2.9
97.06474	7.4
99.04414	90.8
107.04944	3.4
107.08537	2.7
109.06480	4.0
121.06498	3.8
123.08070	20.1
124.32018	2.4
125.05990	10.2
127.07670	2.2
135.07999	4.3
136.05222	4.9
141.01628	17.9
149.09698	6.2
170.78604	2.1
184.50565	2.2
193.12314	5.4
205.12329	6.7
219.13850	8.6
231.13902	2.5
243.17603	39.1
244.17924	4.3
249.15024	4.0
261.18500	2.8
269.15500	6.9
287.16589	71.3
288.16940	8.7
305.08215	4.7
305.17636	100.0
305.20599	3.5
306.18021	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	305.1765
Annotation	Corrin
Peak:m/z	Relative Intensity
51.34774	0.4
54.42641	0.4
56.84790	0.5
57.03334	1.0
59.01266	5.0
65.86482	0.5
65.87742	0.5
69.67231	0.5
70.89461	1.3
71.01273	0.9
80.02556	2.1
81.03351	2.2
81.76054	0.5
83.01277	0.5
83.04916	8.4
93.03355	0.5
95.04931	2.2
97.02870	0.5
97.06477	0.6
106.04153	0.6
107.04930	1.2
108.02112	0.7
109.06509	3.4
121.02859	2.8
122.03642	0.9
123.08061	0.5
125.06012	1.1
125.09618	1.3
126.13972	0.5
127.07598	0.6
133.02850	0.6
135.04433	2.0
135.08102	4.1
141.01614	0.7
147.04478	2.4
159.08008	0.6
161.06013	1.0
161.09566	0.7
163.11220	6.8
165.12807	3.4
175.07654	0.9
176.08382	6.3
177.09161	1.0
178.09947	4.4
181.12325	1.4
185.11853	1.5
190.09854	0.7
191.10733	2.7
192.11456	1.1
193.12268	0.6
197.11813	1.1
207.10239	2.5
207.13817	0.7
209.11815	95.2
210.12138	4.6
236.10565	3.7
243.17586	3.3
245.15390	1.5
259.17007	0.7
261.18607	5.7
262.18970	0.7
263.16544	0.7
269.15515	1.1
277.18274	0.7
287.16559	11.5
288.16815	0.9
305.08276	1.7
305.17645	100.0
306.17978	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	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03330	5.8
59.01261	3.6
62.19483	1.0
70.14606	5.0
81.03330	1.9
93.03386	2.1
95.04926	1.9
97.06505	3.4
98.20483	1.6
109.06519	2.5
117.07011	3.0
117.66222	1.1
119.04944	2.4
120.05718	8.7
123.04462	7.4
123.08087	3.0
125.09639	16.1
133.06505	1.4
135.08095	51.7
136.08420	2.7
137.06076	1.8
137.09665	2.2
138.39304	1.1
141.12808	3.4
147.04463	3.4
149.09714	1.0
160.08881	2.3
160.51730	1.2
161.06010	2.4
161.09654	4.2
162.06790	1.2
167.10664	1.1
175.07581	5.9
175.11214	1.1
177.09132	1.3
183.53813	1.3
185.11801	55.5
186.12126	3.7
189.12805	7.2
190.10371	1.0
190.13144	1.2
223.13463	1.5
241.16254	1.6
243.17570	26.7
244.18004	1.7
245.15517	1.8
259.16910	1.2
261.18616	2.8
263.16492	1.6
269.15451	2.7
276.72818	1.3
287.16599	70.2
288.16879	5.9
305.17648	100.0
306.18100	9.0
329.98392	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1765
Annotation	Corrin
Peak:m/z	Relative Intensity
59.01266	36.5
61.98704	4.8
70.72898	6.6
71.01278	2.5
71.42602	2.2
77.92862	2.2
81.03355	2.7
83.04922	3.4
84.75430	2.3
93.03356	5.9
95.01279	4.1
95.04919	5.7
97.06480	10.0
107.04898	5.1
109.02849	5.8
121.02859	3.6
123.08087	2.9
125.05998	13.8
127.07574	10.7
137.02304	2.4
137.19006	2.7
138.06761	3.0
141.01668	17.5
149.09616	3.1
151.11234	2.8
153.09142	3.3
169.14084	3.2
179.10718	3.1
185.11664	2.7
189.12808	6.5
193.12303	3.1
195.13910	18.5
195.95198	2.5
215.14413	2.7
223.13411	3.4
231.13887	4.9
243.17569	34.8
243.95847	2.2
244.17993	5.5
250.12079	14.8
259.17178	2.8
261.18686	7.4
265.11011	4.7
282.93179	3.3
287.16583	44.1
288.16873	3.0
305.08173	3.3
305.17645	100.0
305.20865	3.4
306.17999	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	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	1.4
59.01265	6.5
65.56506	0.7
69.03328	1.1
71.04906	46.8
71.14153	1.5
72.05249	0.9
74.73878	0.8
78.52360	0.7
81.03345	4.4
83.04910	1.5
83.58641	0.8
93.03355	3.2
95.04919	18.9
96.05238	1.1
97.02847	0.9
97.06451	1.6
103.82378	0.7
106.04144	2.1
107.04936	2.5
109.02844	1.5
109.06499	19.1
110.03709	0.9
111.04419	3.5
119.04911	1.5
121.06522	6.1
121.10162	0.8
122.03626	1.5
123.04488	1.0
123.08057	1.6
125.05932	0.8
127.07549	2.0
129.43863	0.8
131.08611	0.9
133.06546	1.2
133.10052	1.1
135.04436	0.9
135.08087	2.3
136.05272	1.0
137.09663	1.1
139.07553	1.6
141.01711	0.8
147.04488	2.1
147.08084	4.1
149.09721	1.1
150.06783	3.3
153.09180	1.4
161.06021	3.5
161.09584	2.0
165.09151	14.3
166.09546	1.0
171.08035	0.9
175.07620	1.5
186.10431	0.8
189.12810	19.1
190.13168	1.1
195.13959	1.3
203.14340	1.6
205.15933	10.0
211.13272	0.9
213.12540	0.9
231.13934	2.7
233.11838	8.4
239.59154	0.9
243.17595	12.2
244.17894	1.1
245.15509	0.9
246.16048	0.8
249.15007	15.3
250.15402	1.2
261.18604	2.8
263.16492	1.6
269.15500	3.3
287.16586	89.9
288.16913	10.6
289.14688	0.9
305.17636	100.0
306.17947	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	305.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01771	1.0
56.00214	0.8
57.03329	3.2
59.01261	6.9
63.72931	0.8
65.03842	2.9
69.03334	0.8
71.04907	8.3
71.43778	1.4
73.02816	1.0
78.13400	0.8
79.05422	13.3
80.05805	0.8
83.04912	1.5
93.03344	1.2
94.04209	1.0
95.04902	2.2
97.06484	15.5
98.06866	0.8
106.04144	7.8
107.04946	3.9
109.06487	2.5
117.06996	2.0
120.05716	6.5
121.06494	3.7
123.08082	6.8
125.09638	18.9
126.10084	1.0
133.06505	0.9
135.08083	100.0
136.08411	4.6
137.09631	1.2
141.01587	1.2
141.71750	0.9
151.11253	3.8
153.48170	0.8
161.05986	1.0
163.11194	2.1
177.12802	1.5
183.10190	1.1
185.11766	2.6
189.12790	2.0
205.15904	5.1
207.10275	2.5
209.11685	1.6
221.11832	1.2
231.13875	1.5
243.17618	1.0
247.13400	1.0
249.14999	50.6
250.15247	4.1
263.16476	2.3
269.15460	1.9
287.16614	10.9
305.17645	82.3
306.18008	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	305.1378
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77754	2.5
59.01266	45.5
59.55566	2.3
59.55879	2.3
61.82178	2.6
61.98706	6.4
69.03361	4.2
69.84747	16.3
71.01281	3.8
71.53838	2.9
75.00746	3.6
80.51309	2.9
85.02848	3.7
85.20786	2.6
98.20529	5.2
108.02099	2.8
110.52516	2.4
110.56976	3.1
141.01620	14.1
160.07683	2.6
163.65604	3.3
167.10736	3.0
179.14273	3.2
189.12852	2.6
195.13878	13.2
205.12360	10.2
209.11819	3.8
215.41768	2.8
223.13393	100.0
224.13608	6.9
243.17557	3.4
245.11681	9.0
248.84872	2.9
272.53430	2.6
287.16675	13.6
305.08334	8.4
305.13754	12.7
305.17624	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1149
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
54.53147	0.4
59.01258	1.6
65.92411	0.3
65.99735	0.6
67.76048	0.3
69.51617	2.1
69.52032	0.9
71.01255	0.9
75.00768	0.8
82.02870	3.3
92.04963	0.9
94.02886	1.5
96.04443	4.3
96.63449	0.4
96.95914	1.5
97.02843	0.6
98.19834	0.9
98.20496	0.9
120.04440	0.9
122.03650	4.2
122.06001	1.9
136.03975	1.7
138.05533	100.0
139.05891	3.6
150.05533	0.4
163.05072	0.4
174.05540	1.2
175.07950	0.4
188.07101	0.9
190.08713	0.8
202.08687	0.8
216.10246	0.8
217.06177	1.1
218.06975	2.0
218.11855	1.4
229.08720	0.4
233.09344	4.3
244.09938	0.9
245.09303	0.7
261.12460	10.0
262.12674	0.5
287.10425	1.4
305.11456	18.3
306.11603	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1819
Annotation	oscr#10
Peak:m/z	Relative Intensity
56.48377	0.5
56.91211	0.5
57.03296	0.7
59.01265	3.5
71.04885	0.6
71.56464	1.1
75.00707	0.6
78.95759	0.7
89.02315	1.0
91.03859	0.7
103.62619	0.6
149.74423	0.5
165.12688	0.6
167.14368	31.6
168.14664	1.4
185.15431	0.8
211.13379	33.6
212.13821	2.8
213.97026	0.5
229.14458	100.0
230.14787	6.2
255.03508	0.6
303.18231	35.0
303.23380	7.2
304.09741	0.6
304.18619	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	304.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02862	40.1
59.01291	0.3
59.03193	0.4
61.51516	0.2
70.33720	0.6
70.34117	0.6
76.25135	0.3
95.37774	0.2
130.46030	0.3
150.88315	0.3
168.13889	100.0
169.14233	4.9
212.12935	4.0
283.36627	0.3
304.19257	1.1
305.17258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1457
Annotation	Urechitol B
Peak:m/z	Relative Intensity
59.01262	32.0
59.15409	0.5
69.43144	0.5
70.59277	0.5
71.42906	0.8
71.43225	0.5
72.99197	11.6
75.00764	22.9
107.81615	0.5
146.06067	0.5
167.10786	0.6
209.11845	1.1
220.22580	0.5
227.12889	32.6
228.13187	1.8
241.14467	3.1
243.12411	14.9
244.12749	0.8
275.71918	0.6
285.13443	3.2
303.14554	100.0
304.14880	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	303.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03316	1.5
59.01264	11.3
60.99195	4.4
67.42669	0.5
69.03350	0.9
70.43358	0.5
71.01258	1.5
71.58748	0.7
72.99191	5.5
73.02826	0.7
75.00362	0.8
75.00765	12.0
99.00774	1.0
102.05492	1.2
108.04467	0.7
109.06437	0.7
111.08080	0.7
113.02348	0.8
128.03444	1.2
146.04491	1.4
153.12828	0.9
161.02423	0.6
163.11252	2.5
165.12778	4.1
178.05025	3.0
179.14339	1.6
179.82233	0.5
181.12308	6.7
183.13771	0.7
195.13870	1.7
209.11801	2.2
213.41725	0.5
223.13448	0.5
227.12889	87.0
228.13281	4.1
241.14470	13.8
242.14754	0.6
261.13477	0.6
285.04086	1.6
285.13641	1.2
303.14560	100.0
303.23395	1.8
304.14944	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	303.1455
Annotation	Urechitol B
Peak:m/z	Relative Intensity
57.03345	7.0
59.01263	22.6
59.01727	1.0
71.04905	0.9
71.58327	1.4
73.02837	1.3
75.00774	2.6
81.03385	1.9
85.02847	1.1
85.13139	0.9
94.48745	0.9
95.04898	1.9
96.04493	2.1
96.95920	2.3
97.06512	2.3
98.03628	1.0
99.04443	3.5
104.39207	1.1
109.02850	1.4
109.06493	6.4
111.38194	0.9
122.06060	4.2
123.03209	2.3
125.06013	5.5
127.07601	3.9
129.09154	3.3
136.07542	1.5
138.05531	27.9
139.05898	1.3
140.53728	0.9
144.04460	1.0
145.05241	2.8
145.81874	1.1
146.06039	7.1
151.11206	2.5
152.01060	1.1
162.05598	2.2
163.06354	1.8
163.11253	1.6
164.07133	10.8
166.05109	1.3
179.14410	2.2
181.12303	3.1
184.49380	0.9
192.97940	0.9
194.04591	2.2
195.05405	3.2
196.06149	2.7
223.13385	17.6
225.11325	15.1
226.11668	1.5
227.07239	1.1
241.14468	20.2
243.12401	29.6
259.11066	2.2
267.12350	2.9
273.12411	2.3
285.13458	28.6
286.13770	2.2
303.14514	100.0
303.23480	3.7
304.14969	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	303.1357
Annotation	NSC 177499
Peak:m/z	Relative Intensity
57.03329	1.7
57.08963	0.8
59.00786	1.1
59.01265	20.9
68.99706	1.0
71.01265	1.1
71.55618	1.3
72.10169	0.8
72.99211	4.1
75.00761	12.4
79.95635	1.2
83.04897	1.3
86.01259	0.8
87.79111	0.9
94.06541	1.1
95.04955	1.2
96.04444	3.4
96.95913	100.0
109.02852	1.2
110.06023	5.5
112.78072	0.7
113.55354	0.8
118.06561	1.4
120.04478	1.5
121.05225	1.4
122.05169	1.0
122.06043	17.7
124.03946	1.1
129.25038	0.9
134.06087	1.4
135.06783	0.9
136.03976	1.1
136.07574	1.3
138.05551	14.5
140.07130	2.2
145.05240	3.2
146.06064	6.2
148.03941	1.1
149.04802	3.5
150.05524	1.4
151.11278	1.2
162.05579	3.9
163.06339	17.0
163.11226	2.4
164.03508	1.6
164.07133	14.9
165.12810	2.7
166.05042	5.8
173.07236	1.6
177.04260	3.6
178.05019	1.3
181.12329	4.6
191.08258	4.1
192.03099	1.5
194.04565	3.9
195.05345	14.7
196.05997	1.7
209.11804	1.1
225.11391	4.5
227.12891	39.0
228.13234	2.6
236.25406	0.9
241.14511	6.4
243.07748	1.7
243.12305	2.9
255.11406	1.7
259.10876	2.8
267.11328	4.2
273.12515	12.9
285.09222	1.8
285.12497	54.6
286.12817	4.7
303.09158	36.2
303.13953	90.2
303.23242	2.1
304.09467	2.2
304.14090	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	303.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36954	0.6
51.23733	0.5
57.03336	2.5
57.38575	0.5
59.01268	8.1
62.34114	0.6
65.43289	0.6
68.99709	0.7
70.99776	0.6
71.01286	0.6
71.04913	0.6
71.55864	0.8
75.00775	1.9
79.73724	0.6
81.03380	0.8
91.27258	0.6
94.06561	0.7
95.04932	2.6
96.04460	0.8
96.95922	4.1
97.06530	0.8
99.04395	1.2
99.53733	0.6
101.02352	0.7
107.03654	0.9
108.02092	0.6
108.04499	0.7
109.06485	1.8
110.06030	4.5
120.04423	1.1
121.05263	1.6
122.06045	22.7
123.03175	0.7
124.03952	1.1
125.06013	1.4
125.32921	0.6
127.07563	0.9
129.09151	1.2
134.06061	1.5
135.06828	2.3
136.03961	0.7
137.04744	1.5
138.05554	5.4
144.04460	1.3
145.05208	1.1
146.06042	1.9
147.03267	0.9
148.03978	1.3
149.04774	4.6
150.05563	1.8
151.11304	0.7
152.01074	0.7
158.73579	0.7
162.05534	4.7
162.92984	0.7
163.06335	22.7
164.03484	4.1
164.07137	5.6
166.05026	8.7
167.05653	1.8
177.04266	5.9
178.05061	1.5
181.12283	1.0
192.02916	1.6
194.04570	5.4
195.05351	29.1
196.05832	1.4
215.12032	0.7
223.13393	3.6
225.11327	3.9
232.09497	0.6
236.91896	0.7
241.14502	4.7
243.12433	6.6
245.27176	0.6
245.57497	0.6
255.11438	1.5
267.11514	3.0
273.12515	25.9
274.12817	2.2
285.12521	100.0
286.12848	7.3
303.09274	1.2
303.14139	28.7
303.23334	3.5
304.14362	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	301.1666
Annotation	Viridamine
Peak:m/z	Relative Intensity
57.00542	0.2
57.08481	0.2
60.97379	0.7
63.82721	0.2
69.26567	1.1
69.26994	0.9
72.48244	0.2
74.98983	0.6
84.87271	0.2
92.99986	0.2
98.19753	0.4
118.96194	0.7
134.99319	4.5
135.99265	0.2
136.97243	2.0
141.07333	0.3
143.05261	0.4
146.07764	0.2
147.03517	0.3
150.98784	0.2
152.96793	0.2
159.08371	1.4
161.06337	6.0
162.06610	0.3
201.04021	0.6
203.05612	2.9
205.03569	0.6
215.05600	0.7
217.07199	80.5
218.07359	5.7
235.08272	0.4
243.27090	0.2
261.06152	0.6
283.12219	0.3
285.13525	36.0
286.13699	3.8
301.16653	100.0
302.16840	10.5
307.38943	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	303.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87918	0.8
59.01266	34.6
63.05800	0.9
71.01258	3.0
71.55788	2.0
72.99193	1.8
75.00764	4.1
85.02850	1.1
85.37624	0.8
95.01249	0.9
96.04438	1.8
96.95889	2.4
98.19897	1.0
107.03636	3.2
108.04461	19.2
111.08041	0.8
112.98692	1.2
113.02352	1.7
120.04516	1.4
121.05243	1.2
122.06039	54.0
123.06374	1.8
124.07603	53.7
134.06053	1.0
136.07613	71.4
137.07927	2.8
142.51733	1.8
142.99786	2.9
147.06836	0.9
148.07639	1.2
150.05591	0.9
155.10733	9.7
161.07056	1.0
167.05855	5.5
167.07060	1.3
168.06616	100.0
169.06902	2.7
171.10228	2.5
180.06627	8.7
188.46696	1.0
199.09738	5.3
199.13426	1.7
215.08151	1.1
216.13939	4.6
217.10822	10.2
227.12877	2.4
230.10631	2.3
230.53511	1.3
231.11470	3.0
241.13597	1.1
243.11198	4.9
259.11792	2.5
259.14511	4.6
285.04050	4.7
285.12604	2.3
286.04428	4.1
303.13580	52.8
303.23526	6.0
304.13840	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	301.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	7.8
61.98710	0.3
68.36484	0.3
69.40515	0.3
70.89993	0.4
70.90337	0.6
71.01262	0.4
71.04906	1.3
72.99194	0.7
75.00752	1.2
80.02562	1.0
81.03351	0.8
83.04920	3.8
84.02058	0.8
91.03932	0.4
92.68377	0.3
93.03362	0.6
95.04929	0.6
96.95923	0.5
100.71732	0.2
101.62990	0.3
111.08022	0.3
116.04949	0.3
117.03361	0.3
121.02866	0.3
124.07606	0.4
125.05981	0.5
135.08087	0.5
144.04486	0.3
145.02916	0.4
146.03220	1.1
147.03366	0.4
153.12759	0.5
163.11238	3.4
165.12794	2.2
181.12338	0.6
191.10683	1.0
197.11772	0.5
209.11810	100.0
210.10339	0.4
210.12167	5.0
227.12863	6.1
241.14528	1.7
257.13083	0.6
258.09985	0.3
259.15491	2.1
301.00217	0.4
301.03555	1.0
301.06897	0.3
301.14703	0.6
301.17325	4.6
302.17447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1663
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65696	0.3
54.91555	0.3
59.01273	2.3
61.98722	0.3
66.75385	0.3
69.80440	0.2
71.14160	0.8
73.02840	0.3
74.02357	0.4
75.00765	0.5
80.02562	1.1
81.03362	0.8
83.01297	0.4
83.04918	4.4
84.02050	0.9
93.03317	0.3
95.04951	0.4
96.07448	0.3
96.95905	0.3
97.06462	0.3
109.02866	0.3
109.06519	0.3
111.00803	0.4
123.00798	0.4
125.05994	0.5
125.09650	0.3
130.32750	0.2
133.02855	0.6
135.08115	0.3
145.02895	0.9
146.03242	0.8
147.03470	0.4
149.02286	0.3
151.00359	0.6
153.12794	0.5
161.02431	0.3
163.11252	3.5
165.12820	1.8
181.12350	0.7
191.10797	1.0
197.11810	0.9
199.13391	0.4
206.69855	0.3
209.11818	100.0
210.12149	5.0
227.12885	5.6
255.03078	0.3
301.00208	0.6
301.03610	4.5
301.07053	0.4
301.11484	0.3
301.14401	0.8
301.17206	4.1
301.20248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03332	1.7
59.01265	80.7
60.01587	1.2
69.33423	7.1
71.01267	2.3
71.04919	2.0
98.20588	1.5
125.09654	3.4
133.10144	2.1
135.11728	5.5
145.02867	0.9
151.00258	1.2
151.11264	1.0
153.12790	45.4
154.13132	2.4
197.11812	100.0
198.12126	6.5
209.11891	1.1
241.10826	3.6
256.68539	0.7
257.04449	0.7
274.59055	0.7
301.03564	3.1
301.12909	4.8
301.17145	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	301.13
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03319	1.7
59.01267	56.0
60.01578	1.0
61.98727	0.9
69.03350	9.7
71.01247	1.8
71.04910	9.8
72.99191	3.5
73.02837	1.5
75.00767	14.2
75.52424	0.8
83.04903	1.0
85.02879	0.9
87.04399	2.0
97.06516	0.8
98.20571	1.7
109.02841	1.5
111.00804	1.5
117.03349	1.0
121.02882	1.4
123.00811	0.8
132.04460	1.3
133.02893	1.5
133.10164	0.9
137.09595	1.0
139.00337	1.3
139.11174	3.6
145.02902	1.2
146.03200	2.3
147.03439	1.3
149.02344	2.0
151.00288	1.2
151.11206	1.5
153.12796	54.4
154.13086	3.0
165.01855	3.3
165.04268	0.9
183.10182	3.5
197.11824	100.0
198.12180	4.5
213.11314	1.8
241.10866	10.1
255.03055	1.7
257.04364	1.0
259.11926	17.4
260.12338	1.6
283.02737	1.3
301.03619	14.5
301.12891	12.6
301.17108	7.9
302.03802	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	301.1301
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
54.16127	0.3
57.03335	2.6
58.00485	3.5
59.01265	100.0
60.01601	1.2
60.99162	0.3
66.77702	0.4
69.99845	0.7
70.00240	0.7
70.92798	0.3
75.00755	0.5
78.86325	0.3
85.02848	1.6
86.65724	0.4
87.04399	3.9
95.53532	0.3
97.06529	0.6
98.01208	0.3
98.19847	0.3
99.04423	0.7
109.06491	1.6
111.08057	1.2
121.06551	0.4
127.06687	0.4
127.07549	0.8
137.09648	0.8
139.07637	1.6
139.11183	1.9
149.09613	0.5
151.11229	2.1
161.09648	0.4
163.83975	0.4
167.10782	0.9
169.12318	3.6
179.10706	2.6
195.13910	0.5
197.11801	0.9
239.12914	2.5
241.10791	0.4
257.13989	33.5
258.14233	2.4
301.13000	20.3
301.16827	1.3
302.13257	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1301
Annotation	L-phenylalanyl-L-histidine
Peak:m/z	Relative Intensity
57.03333	4.1
59.01266	9.6
60.99183	1.3
69.03345	0.8
71.04892	0.7
71.05506	1.1
72.99203	8.0
75.00763	28.6
76.01101	0.5
79.05403	0.9
83.04916	6.0
84.25832	0.4
93.07014	0.9
95.04913	0.7
97.06474	0.5
102.98493	0.9
105.07013	0.6
106.56438	0.6
111.08089	0.6
123.08092	0.6
137.43286	0.4
138.01834	0.5
141.05505	3.0
145.02849	0.8
146.03227	1.2
147.03403	1.0
151.11201	0.8
163.11246	5.7
177.12808	2.0
179.10693	0.5
181.12373	1.2
202.06375	0.6
207.10260	1.6
219.27338	0.5
221.11795	1.2
225.11328	24.0
226.11665	1.7
239.12894	7.4
257.14023	3.6
283.11673	0.8
301.12994	100.0
301.16943	5.5
302.13385	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	301.1203
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
51.44776	0.8
59.01271	6.1
59.14758	0.8
70.94457	1.7
72.99191	3.1
73.02817	2.6
74.78551	1.1
75.00767	3.5
78.91787	3.0
94.38917	0.9
117.03288	1.0
118.06518	1.8
145.02881	1.8
146.02164	1.0
146.03185	2.5
147.03307	2.2
148.03949	1.3
160.03978	12.6
161.04771	91.7
162.05560	15.0
164.03465	6.9
175.02702	6.6
176.03511	1.6
192.03011	12.4
193.03783	65.5
194.04128	3.3
208.02396	1.9
214.55768	1.0
221.11345	0.9
239.48334	0.9
240.95052	1.5
241.10631	1.4
249.69183	0.9
257.13947	2.7
271.10941	25.9
272.11227	3.4
283.10950	100.0
284.11182	7.9
285.04254	1.2
301.12006	38.9
301.17120	8.4
302.12436	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	301.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45405	0.4
56.94884	0.4
57.03334	1.1
58.00470	0.5
59.01263	57.8
59.78785	0.4
60.01585	0.7
60.67559	0.5
62.85914	0.4
69.03340	9.8
69.55862	3.3
71.01276	1.0
71.04909	9.0
72.99192	2.7
73.02838	0.7
75.00763	13.7
83.04896	1.2
85.02864	1.1
86.05247	0.5
87.04417	2.5
92.29135	0.5
95.04929	0.6
97.06465	0.7
111.00761	0.6
113.02339	0.8
117.01856	0.8
133.02902	0.7
137.09673	1.1
139.00323	1.8
139.11220	3.3
142.01622	1.5
144.58652	0.5
145.02922	0.8
146.03242	0.7
147.03461	0.5
151.11247	2.6
153.12794	68.1
154.13155	4.2
162.12839	0.5
181.46225	0.5
183.10242	4.7
197.11812	100.0
198.12135	6.3
209.11809	2.2
213.11288	1.7
227.12903	0.9
241.10828	8.9
242.10933	0.7
255.02824	0.6
257.13077	1.0
259.11914	20.3
260.12289	1.3
274.84848	0.5
284.03433	0.7
285.04163	3.1
289.52802	0.6
301.03604	3.4
301.12970	13.7
301.17136	4.6
302.13217	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	295.2286
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21589	0.4
55.01737	0.4
57.03322	0.5
59.01000	0.6
59.01268	7.8
70.94939	0.4
71.01254	0.8
71.48646	0.8
71.48971	0.4
73.02831	0.5
77.53856	0.4
80.62823	0.4
98.95517	1.9
101.02335	0.7
125.09644	2.6
126.67805	0.4
141.12762	0.8
151.11218	1.9
161.04559	0.4
167.01060	0.4
171.10226	0.4
195.13776	0.4
251.23834	1.3
263.41736	0.4
277.21735	1.3
295.22836	100.0
296.23175	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	297.1198
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
57.21788	1.0
58.00469	2.1
59.01266	100.0
70.22630	3.9
71.01269	26.0
72.01588	1.1
72.99194	1.2
73.02833	4.1
73.67181	1.1
73.88702	1.0
81.30981	1.1
83.01264	1.5
85.02866	7.8
87.00773	1.7
89.02340	22.7
101.02345	18.1
113.02357	12.8
119.03410	7.8
119.04946	1.1
121.02859	1.3
135.06557	7.3
159.02943	1.7
161.04491	8.9
162.31136	1.2
179.05568	4.8
185.90935	1.3
194.34911	1.2
237.09814	11.0
238.10104	1.3
274.55527	1.3
297.11969	17.5
297.14975	2.4
297.24341	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2284
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
58.75123	0.5
59.01250	1.6
62.23478	0.4
67.74352	0.5
68.58817	0.5
71.06323	1.1
71.06667	0.5
79.34691	0.4
79.71816	0.5
81.23138	0.5
99.08051	0.7
125.09621	0.9
141.12721	0.8
171.10211	31.9
172.10475	0.9
185.11827	0.6
277.21774	43.8
278.22086	1.7
293.20999	0.6
295.22827	100.0
296.23257	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	295.2284
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
56.95197	0.6
59.01268	15.2
61.98690	0.7
64.48719	0.6
71.01266	2.3
71.35938	1.0
71.36285	0.7
73.02869	0.6
77.05217	0.6
89.02356	0.6
101.02340	1.3
111.50200	0.6
113.02333	0.8
120.51816	0.6
161.04520	1.1
200.14952	0.6
235.08301	1.7
265.21750	1.9
277.21783	3.4
293.21185	0.9
295.22845	100.0
296.23154	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03323	0.9
59.01266	7.4
64.57999	0.4
70.09332	1.8
71.01270	1.0
83.04897	0.7
97.06502	0.5
99.08065	0.7
105.40990	0.5
111.93230	0.5
113.09641	2.9
134.03848	0.5
171.10196	0.5
179.14352	0.9
179.44974	0.5
183.13893	3.0
195.13881	24.4
196.14146	1.2
218.28137	0.5
251.23828	0.6
277.21777	21.8
278.22116	1.5
295.22845	100.0
296.23157	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	295.2285
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
53.92272	0.2
57.03323	0.8
59.01263	1.9
62.62725	0.2
71.05434	0.6
76.90792	0.2
83.04904	0.6
97.06516	0.3
110.71204	0.3
113.09645	2.1
160.50562	0.3
169.12198	0.3
170.45528	0.3
177.12839	0.5
179.14311	0.8
181.12326	0.5
195.13878	16.0
196.14177	0.8
259.20486	0.3
277.21780	16.6
278.22055	1.3
295.22836	100.0
296.19836	0.4
296.23193	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	295.104
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69302	1.0
57.03323	1.2
58.00483	1.9
59.01262	46.7
59.87355	1.0
64.56139	0.8
66.56418	1.0
69.55157	5.1
69.55562	2.5
71.01266	22.3
72.99189	2.7
73.02831	2.7
73.64130	0.8
75.00771	4.5
75.41479	1.0
83.01291	1.7
85.02839	8.7
87.00762	1.6
87.04398	3.2
89.02333	25.8
95.01276	2.0
97.02837	1.9
101.02347	19.2
113.02357	8.3
115.03922	9.7
119.03413	10.4
119.04864	1.0
131.03447	0.9
133.04990	11.5
143.03407	1.2
145.97157	1.0
161.04492	2.5
163.03960	2.1
179.05573	1.3
221.06636	1.0
235.08217	1.5
237.06227	1.7
270.83911	1.0
295.10413	100.0
296.10843	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	295.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04610	0.3
56.02214	0.3
59.01265	100.0
60.01600	1.0
70.71015	0.4
70.71345	0.8
71.01276	1.5
71.68498	0.3
85.02851	0.6
95.17855	0.3
96.95870	0.4
101.02361	1.3
113.02386	0.5
113.08302	0.3
128.31253	0.3
131.07074	0.4
135.04443	2.3
139.24252	0.3
161.04576	0.7
163.03972	0.7
191.14989	0.3
192.04254	0.4
207.06625	2.1
235.11902	4.9
240.04247	0.3
242.81349	0.3
283.50162	0.4
295.12949	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	295.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01765	1.0
57.03358	1.2
58.00470	2.2
59.01264	66.3
60.01593	0.8
69.42970	4.8
70.20117	0.6
71.01269	41.4
71.04897	1.6
72.01585	0.6
72.99198	3.3
73.02836	2.2
75.00760	5.3
83.01280	1.6
85.02843	9.0
87.00771	1.9
87.04410	1.5
89.02335	35.4
95.01295	3.0
97.02840	1.5
99.00764	1.0
101.02348	20.7
103.00296	2.7
113.02354	12.9
115.00291	21.0
115.03931	9.8
119.03412	13.8
120.99579	0.9
131.03409	1.1
133.01353	1.2
133.04987	9.4
143.03406	1.5
161.04491	1.9
177.91086	0.6
178.18120	0.5
179.05563	1.5
196.57478	0.5
237.06218	2.4
251.07724	2.1
295.10410	100.0
296.10739	5.6
301.68588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.1
63.34711	0.4
65.24933	0.4
65.85933	0.4
70.49068	0.7
70.49466	0.8
97.06501	1.0
106.79858	0.4
113.40873	0.4
123.08074	0.9
125.09639	3.5
141.12755	1.0
149.09651	1.6
185.11801	9.2
186.12129	0.7
197.11830	2.2
249.22244	0.9
250.99203	0.4
275.20258	0.4
293.21289	100.0
294.21619	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10484	0.9
57.03324	1.2
59.01253	6.3
69.04994	1.0
69.41807	1.1
71.01274	3.6
71.56323	1.2
73.84948	0.9
77.88420	0.9
85.02843	1.1
89.02309	2.3
96.95895	1.4
97.02879	1.2
101.24648	1.0
113.09631	2.6
131.03455	1.1
139.11189	1.8
149.32530	1.1
153.12822	1.3
154.91533	1.0
161.04565	1.8
171.10193	1.6
191.18001	3.2
192.11479	1.4
220.14703	2.8
221.15448	7.4
236.10529	5.6
247.20749	2.8
275.20209	3.1
293.08893	5.2
293.21289	100.0
294.21576	8.3
303.95523	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	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41026	1.1
52.68889	1.1
54.07911	1.0
59.01250	4.6
71.06177	3.1
71.40379	1.2
121.10146	42.1
122.10487	1.8
122.38185	1.0
125.09611	2.1
147.42714	1.1
171.10220	75.3
172.10599	2.8
183.13876	2.0
185.11806	2.9
211.13423	1.4
231.21185	4.9
275.20206	100.0
276.20618	9.1
277.77994	1.1
293.21301	67.5
294.21616	4.1
303.49936	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	293.2129
Annotation	Unknow
Peak:m/z	Relative Intensity
69.53638	7.4
89.01897	0.9
98.20520	2.1
111.08057	1.2
161.66299	1.0
181.54237	1.0
195.13898	14.1
196.14478	2.1
205.12158	0.9
223.13399	11.2
228.13611	2.3
256.13187	4.5
258.42648	1.0
275.20187	8.4
293.21301	100.0
294.21606	8.2
297.90097	1.0
312.46722	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	4.1
59.01260	2.1
60.42403	0.4
75.73521	0.4
79.75965	0.4
85.06441	0.5
97.06508	0.8
98.04063	0.4
109.06531	0.8
113.09632	15.2
121.10107	0.9
125.09654	0.6
139.11215	1.8
141.09106	0.5
141.12712	0.5
149.09656	1.0
167.10680	2.0
171.10243	1.5
177.12930	0.9
179.10739	1.5
185.11806	1.9
195.13881	2.3
197.11801	0.7
220.75490	0.4
229.43826	0.5
236.10620	0.4
249.22360	1.5
250.22781	0.4
255.27226	0.4
275.20218	3.1
292.10504	0.4
293.21289	100.0
294.21634	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	293.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59201	0.9
57.15878	0.9
59.01263	11.7
61.98707	1.5
65.22969	0.9
66.28267	1.0
68.02448	1.1
70.87676	1.1
71.01276	6.1
71.24773	1.5
74.38273	0.9
83.04900	1.1
89.02332	4.4
95.04922	2.0
101.02317	1.1
108.27885	1.0
110.84768	0.9
113.09666	1.7
125.02313	1.1
131.03430	1.2
135.11723	11.6
136.08836	2.6
152.91701	1.8
157.08652	32.1
158.09001	1.0
161.04538	1.3
163.78127	0.9
167.14330	1.2
167.27965	1.1
177.16443	1.3
192.11514	3.4
193.15970	5.3
195.13870	1.8
209.15289	1.2
219.19922	1.1
220.14566	5.4
220.33209	1.0
221.15485	12.5
231.21173	4.2
233.15379	1.2
236.10580	9.2
237.11169	1.0
245.55629	0.9
246.87447	1.1
249.18645	35.6
250.19075	2.7
257.19037	1.0
263.54483	1.1
275.20218	68.3
276.20657	4.7
293.08783	5.6
293.17670	8.4
293.21255	100.0
294.18481	1.7
294.21591	8.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
50.27304	0.5
57.03335	0.9
59.01262	6.2
59.21211	0.5
61.98713	1.1
69.03340	0.7
71.01282	2.6
71.04914	0.6
85.02829	0.6
89.02332	2.1
90.83669	0.5
91.60837	0.5
93.28151	0.5
98.19760	1.1
101.02351	0.5
105.48140	0.5
113.02399	0.5
123.08065	0.9
131.03378	0.7
136.08879	1.2
139.11217	0.7
149.09561	0.6
151.11226	2.3
161.04510	1.8
169.12306	2.4
192.11504	0.7
193.15950	1.9
197.11806	33.3
198.12199	1.5
198.33066	0.5
220.14661	2.7
221.15489	6.2
231.21141	1.5
233.10464	0.6
236.10535	3.8
245.26949	0.6
249.18687	1.7
265.21945	0.6
275.20203	21.7
276.20581	1.7
293.09210	2.8
293.21274	100.0
294.21588	7.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.213
Annotation	Unknow
Peak:m/z	Relative Intensity
56.21339	0.5
57.03341	3.7
59.01263	11.6
61.98719	0.8
67.15225	0.6
71.01278	3.7
71.56988	0.7
83.01231	0.6
85.02850	0.9
89.02330	2.5
96.95901	0.7
97.06488	1.1
101.02345	0.7
113.02338	0.7
113.09638	15.2
123.08095	0.7
125.09626	1.5
131.03429	0.6
139.11229	1.3
139.22101	0.6
141.12764	0.7
143.03389	0.8
147.92618	0.5
149.09698	0.8
161.04488	1.5
167.10735	2.5
177.09189	0.7
179.10767	1.3
185.11832	3.4
192.11499	1.1
195.13901	2.7
196.14267	0.7
197.11836	0.7
205.12383	0.9
217.07224	0.9
220.14699	6.7
221.15485	11.2
222.15762	0.8
233.10362	2.4
236.10539	8.1
249.22223	1.6
251.12956	1.3
275.20224	1.5
293.09000	2.9
293.21286	100.0
294.21494	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	293.125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01772	0.4
57.03330	0.3
58.00467	0.8
59.01263	26.6
59.19086	0.2
60.01595	0.3
69.94850	1.3
71.01270	13.9
72.99200	0.7
73.02836	0.9
75.00746	0.4
83.01283	0.9
85.02834	2.8
85.06477	9.0
87.00776	0.4
89.02335	16.6
91.97889	0.2
92.03767	0.3
95.01303	0.8
101.02346	11.2
102.02690	0.3
107.47912	0.2
110.42951	0.2
113.02357	6.1
113.05991	3.2
115.07560	1.9
115.23818	0.3
119.03407	6.2
127.07575	1.2
131.07065	48.1
132.07426	1.6
143.03436	0.5
149.04451	0.3
161.04510	0.8
173.08179	1.6
179.05544	0.6
293.12479	100.0
294.12808	6.2
298.44177	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01768	0.9
58.00478	1.4
58.69688	0.5
59.01266	34.3
66.75662	0.6
71.01272	16.4
71.39843	1.0
72.99197	1.4
73.02853	1.1
83.01255	1.7
84.42519	0.5
85.02842	3.4
85.06482	13.5
86.06795	0.6
87.00753	0.6
89.02338	17.6
93.99050	0.5
95.01266	1.7
101.02348	12.1
113.02351	7.1
113.05984	2.8
115.07543	2.1
119.03416	7.6
127.07567	1.7
129.05443	0.5
131.07068	56.2
132.07430	1.6
143.03409	0.9
161.04488	0.6
173.08086	0.7
179.05531	0.9
188.59721	0.6
214.07463	0.5
227.07451	0.5
240.25581	0.6
268.65280	0.6
276.09995	0.7
293.12485	100.0
294.12860	5.2
301.36319	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1766
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02137	0.2
57.11246	0.2
59.01234	0.2
71.01268	9.2
71.55603	0.4
71.55960	0.2
72.01585	0.2
97.53277	0.2
127.07548	0.9
129.13942	0.2
130.10088	0.2
134.03693	0.3
137.27522	0.3
148.05215	1.1
151.07565	0.7
164.08328	1.0
177.09161	4.3
178.09508	0.2
190.09911	0.5
192.11520	6.5
193.12094	0.4
200.68103	0.2
205.12323	6.7
207.13866	1.5
218.09471	1.5
220.14684	51.4
221.15456	100.0
222.15823	5.8
231.17535	0.3
235.13400	1.2
236.10547	70.8
237.10954	4.6
246.54506	0.3
293.08804	0.4
293.14423	0.4
293.17691	11.5
293.21210	1.2
294.18011	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	292.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02864	0.6
58.15559	0.5
59.01266	6.3
68.02425	0.6
70.20375	0.4
71.01266	1.5
71.55210	0.9
71.55570	0.6
73.98055	0.5
81.03316	0.5
85.02837	0.5
89.02339	1.2
95.66495	0.5
97.02852	0.5
101.02341	0.7
106.11833	0.5
118.51152	0.5
152.91678	0.5
156.13887	100.0
157.14209	4.4
200.12886	5.8
205.12488	0.6
220.14746	3.0
221.15529	6.1
236.10568	5.4
236.26738	0.7
246.66534	0.5
286.32339	0.5
292.19943	4.1
293.08804	1.8
293.17706	1.2
293.21228	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	292.1927
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.89975	0.9
59.01261	12.9
64.77744	0.9
68.02418	1.0
70.54632	0.9
71.01274	3.7
71.04897	1.6
71.35734	1.3
71.36057	1.2
77.65691	1.3
79.21569	0.9
79.35911	0.9
85.02809	1.3
89.02329	3.1
97.02856	1.1
131.03397	1.3
152.91719	1.1
156.13881	100.0
157.14236	5.1
161.04523	1.4
186.97377	1.0
194.92686	1.0
200.12891	6.3
203.87181	1.0
220.14674	6.0
221.15475	13.6
233.10385	2.0
236.10536	8.1
275.20032	1.1
292.20032	12.7
293.08847	3.0
293.17880	2.0
293.21213	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	291.1972
Annotation	12-OPDA
Peak:m/z	Relative Intensity
57.03338	10.8
59.01266	4.9
63.67783	0.4
67.01781	0.4
69.03320	0.7
70.63843	0.8
71.01279	0.4
71.04914	0.9
73.02805	0.4
74.47371	0.4
79.95598	0.4
81.03361	0.4
83.04908	1.2
89.10262	0.4
90.12534	0.4
97.06477	0.7
106.47905	0.3
107.08553	0.4
109.06481	1.0
111.08012	0.5
113.46832	0.4
121.02876	1.0
121.10170	1.1
125.09636	9.4
126.09917	0.5
129.72678	0.4
135.08058	0.8
139.11179	0.4
151.11232	2.5
153.09123	1.3
163.11249	2.4
165.09129	1.4
165.12794	1.0
175.11238	0.4
177.12715	0.4
179.14388	1.2
181.12274	1.8
247.20699	4.5
273.18692	1.1
291.09024	1.2
291.19724	100.0
292.20062	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	291.1972
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
55.48204	1.0
59.01262	5.7
60.85264	1.0
64.03616	1.0
71.01265	3.0
72.16331	1.1
73.02857	1.8
76.46041	1.1
97.06488	95.0
101.76173	1.1
122.07819	1.0
142.60695	1.0
149.13130	1.2
174.79643	1.0
183.13863	3.3
193.12302	30.6
194.12862	2.6
211.13373	71.3
212.13707	4.7
229.19565	1.3
229.28372	1.1
247.20699	2.0
263.20294	3.5
273.18610	4.8
291.19717	100.0
292.19995	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	291.1973
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
50.27787	0.3
56.38022	0.3
59.01261	1.2
61.05037	0.3
61.98694	0.4
70.71684	0.6
70.72058	0.6
73.02835	51.5
74.03167	0.5
76.40387	0.3
80.08318	0.3
80.39948	0.3
95.54420	0.3
119.44588	0.4
121.02869	0.7
126.54725	0.4
165.12732	0.5
206.25256	0.4
247.20728	0.3
291.19724	100.0
292.20050	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	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83212	0.4
57.03325	1.4
59.01265	2.5
59.01523	0.5
67.01759	0.4
69.03348	0.5
70.85571	1.1
71.01276	0.4
71.04898	1.0
83.04922	1.0
95.04932	1.1
109.06501	0.6
111.08067	13.8
113.09615	0.8
137.09662	0.6
139.11195	0.4
149.09586	0.6
162.37804	0.4
165.12729	0.4
167.10710	2.3
177.12827	1.6
179.10771	1.8
195.13887	8.7
196.14204	0.6
203.14377	0.4
247.20653	2.6
273.18704	1.2
291.19724	100.0
292.20099	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03327	1.4
62.66264	0.3
65.20432	0.4
69.03357	0.5
71.09933	1.3
83.04910	0.6
93.06996	1.3
95.04900	0.3
96.44545	0.4
97.06495	1.9
100.64423	0.3
117.09542	0.3
120.97404	0.4
121.10151	14.7
122.10495	0.9
123.08082	1.4
125.09650	6.6
127.07606	0.6
141.12796	1.0
147.08073	0.7
150.03651	0.4
151.11072	0.4
163.40456	0.4
171.10237	0.4
185.11813	14.3
186.12137	1.1
197.11861	2.8
209.11880	1.4
211.13382	1.6
223.13370	1.2
247.13420	0.7
247.20711	1.0
250.05785	0.4
269.55688	0.4
273.18710	1.3
274.19037	0.4
291.19736	100.0
292.20044	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	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56915	0.2
59.01260	0.6
71.01266	0.3
76.50423	0.2
80.02570	0.2
95.04951	0.3
97.06452	0.6
98.20683	0.4
106.04163	0.3
109.06484	0.3
113.05992	0.2
119.04917	0.4
121.02853	0.2
121.46535	0.2
125.06010	0.4
127.11184	0.3
132.32155	0.2
143.56158	0.2
148.08859	1.7
149.09668	0.3
150.10440	0.7
151.11185	0.5
163.11246	1.0
165.12794	20.1
166.13106	1.0
175.11234	0.6
176.11922	0.9
177.12776	0.6
179.14359	0.5
189.12737	0.2
191.14391	0.9
202.10037	0.3
217.15977	0.6
245.19128	0.3
247.20702	10.6
248.21066	1.0
273.18652	6.1
274.18991	0.8
291.19708	100.0
292.20056	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	291.1972
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28833	0.2
57.03340	1.5
59.01259	1.6
66.25995	0.2
69.03337	0.3
70.79565	0.5
71.01278	0.3
83.04912	0.7
93.03355	0.2
93.06999	0.7
95.04926	0.7
97.06489	1.5
106.04148	0.2
111.08061	4.8
112.08391	0.3
113.09628	0.4
121.02876	0.4
121.10146	10.4
122.10493	0.4
123.08067	0.8
125.09639	4.9
137.09598	0.3
139.11194	0.5
141.12785	0.9
147.08116	0.7
149.09608	0.5
163.11243	0.4
165.12788	0.3
167.10692	1.0
167.14442	0.2
171.10240	0.2
173.59511	0.2
177.12773	0.8
178.13072	0.2
179.10785	0.8
180.27142	0.2
185.11790	10.7
190.23074	0.2
193.16028	0.2
195.13901	3.3
197.11804	2.2
203.14462	0.3
209.04407	0.2
209.11783	1.0
211.13347	1.2
212.13893	0.2
213.15030	0.2
223.13327	0.7
244.71298	0.2
247.13478	0.4
247.20720	1.4
273.18655	1.5
291.19708	100.0
292.20056	10.2
308.09842	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03326	1.2
59.01254	2.4
69.03319	0.5
69.85738	1.4
69.86147	0.8
71.04910	5.2
74.21165	0.4
83.04920	0.9
90.68606	0.4
90.81404	0.3
93.03342	0.5
94.61646	0.4
95.04916	0.3
97.06484	1.5
99.95760	0.3
107.04910	0.4
109.06532	0.4
111.08065	8.4
113.09641	0.5
121.02882	0.5
125.09638	0.5
137.09659	0.7
149.09659	0.5
161.09654	0.4
165.12772	1.2
167.10725	1.5
177.12767	0.8
179.10732	1.3
191.14253	0.4
195.13884	5.8
207.13744	0.4
217.15962	0.5
219.13829	0.6
235.17145	0.7
247.20657	2.7
273.18668	1.5
291.19720	100.0
292.20041	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	289.1816
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
57.03321	1.7
59.01264	14.3
69.03326	2.0
71.04895	1.4
71.23939	1.9
71.24258	1.5
79.90271	1.3
83.04935	1.4
86.15643	1.1
93.03348	1.9
96.89803	1.2
107.04913	3.7
108.02092	2.0
109.06417	1.5
119.05048	1.1
119.08578	1.7
121.02863	3.4
121.10173	1.7
123.08072	10.2
125.09665	6.0
135.04427	6.3
135.11668	1.6
137.79738	1.1
145.02841	1.5
147.04445	3.2
147.05649	1.1
149.09615	1.3
151.11223	3.1
163.03969	6.1
163.11241	3.3
165.09143	1.2
168.15034	1.2
172.08936	1.2
173.02397	1.4
181.12302	6.0
191.03461	18.2
192.04205	3.6
205.08586	1.9
205.51830	1.2
226.11359	1.2
243.80309	1.1
245.19167	9.5
271.17023	2.5
289.18149	100.0
290.18518	8.4
291.96252	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	289.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03329	0.2
59.01266	2.2
70.90894	0.5
71.01257	0.5
80.02567	1.2
81.03341	0.7
83.04903	0.8
95.04907	1.0
97.06490	0.5
105.49899	0.2
106.04128	1.3
107.04926	0.8
108.02071	0.3
109.06493	9.3
110.06840	0.3
111.08052	2.3
117.07014	0.2
119.04945	0.4
120.05710	0.4
121.02861	0.7
121.06516	0.6
121.10117	0.3
123.08068	2.0
131.04977	0.2
133.10124	0.3
135.04424	1.3
135.08076	0.7
137.09657	1.1
143.10678	1.8
145.06511	3.3
147.04446	0.7
147.08189	0.2
149.09668	1.7
151.11235	0.8
159.08122	0.4
163.03964	1.2
163.11221	0.8
167.10738	2.2
173.02347	0.3
173.09621	0.2
175.11200	0.2
177.09172	0.3
177.12787	0.4
179.10706	0.9
181.12317	0.7
181.27296	0.2
189.05446	0.2
191.03456	3.2
191.14351	0.5
192.04243	1.1
195.13860	0.2
203.14253	0.2
205.08670	0.3
215.14429	0.6
216.14990	0.3
217.12315	0.4
217.15994	0.3
227.17963	0.5
229.15944	0.3
243.17657	0.5
245.19099	5.3
246.19559	0.3
260.73315	0.2
260.99905	0.2
261.18518	0.4
271.17056	1.2
272.17419	0.3
273.14996	0.7
287.16504	2.8
288.17059	0.2
289.18134	100.0
290.18478	7.6
295.80930	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	289.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	0.6
61.98722	0.3
69.61165	1.7
71.01267	2.0
91.05440	0.6
93.03369	0.7
96.25477	0.2
97.06474	1.2
105.03410	0.2
106.37080	0.2
107.04919	1.2
108.02071	10.1
109.02873	0.9
117.03335	0.4
119.04937	2.0
121.02865	6.9
122.03650	0.9
123.18793	0.2
124.01556	1.7
125.02366	0.7
129.03380	1.0
130.04167	0.4
133.02879	0.3
134.03632	1.8
134.28688	0.2
135.04439	100.0
136.04752	3.7
137.02351	0.3
137.46507	0.2
145.02878	2.7
146.03677	0.4
147.04445	8.6
148.05278	1.9
149.05930	0.3
150.03172	1.6
151.03944	2.6
158.03711	0.4
159.04486	0.7
161.02390	0.7
162.03229	0.6
163.03943	13.2
164.04335	0.4
169.52921	0.2
173.02402	2.6
174.03113	0.8
177.05566	0.5
177.09180	1.0
188.04593	0.3
190.02733	0.3
191.03461	40.0
192.04236	38.6
193.04555	1.6
194.37503	0.2
205.05035	0.4
205.08667	1.7
217.08687	0.5
261.11279	0.4
261.33063	0.2
271.09702	0.3
289.07538	0.2
289.10733	1.4
289.18164	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1612
Annotation	Lycoramine
Peak:m/z	Relative Intensity
59.01264	1.5
60.94108	0.2
67.01776	0.2
81.03346	1.1
92.04961	0.7
93.03355	1.2
105.74386	0.2
107.03677	0.4
108.02088	0.8
108.04463	3.1
109.02869	3.4
109.20527	0.2
121.02869	0.9
124.01589	0.4
134.02405	36.8
134.69899	0.3
135.03226	7.0
135.04424	0.8
136.03970	34.1
137.02371	1.3
137.04306	1.4
145.02899	0.3
147.04451	0.8
147.25763	0.2
148.03976	1.0
149.04767	1.2
161.06039	0.2
163.03938	0.8
176.03491	4.7
177.04198	0.5
181.03734	0.3
190.05078	0.6
190.65662	0.2
191.03490	2.4
192.04257	0.7
204.06648	0.4
260.16556	0.2
270.15067	0.3
288.16113	100.0
289.16403	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	289.0725
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
57.03323	4.8
58.65899	1.3
59.01254	5.5
59.46127	1.7
71.55370	1.8
75.00748	2.2
81.03337	3.0
83.01280	3.9
93.03373	2.5
95.01303	1.9
95.04901	3.4
97.02844	10.7
109.02864	39.8
121.02865	5.5
122.03665	2.0
123.04433	23.5
125.02374	27.4
135.04405	3.5
137.02388	14.8
139.03911	5.8
145.02888	2.8
149.02371	6.8
150.03043	1.5
151.03935	13.2
159.04501	4.4
161.06042	8.8
162.03088	1.8
163.03935	2.8
164.01108	3.6
165.01891	7.3
167.03456	2.4
173.06117	1.5
174.03220	1.7
175.03989	3.1
175.07617	2.8
179.03468	9.6
187.03992	6.5
188.04715	4.4
190.13567	1.5
202.06316	3.6
203.07133	21.0
205.04996	11.6
215.12862	2.2
221.08310	7.3
227.07173	2.6
245.08195	25.9
245.12524	1.2
246.08618	2.2
258.28882	1.3
271.11664	1.5
289.07251	100.0
289.12463	2.9
289.16525	4.0
290.07608	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	287.2234
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
59.01255	2.2
61.98699	0.4
62.35799	0.3
71.01276	0.7
72.99168	0.4
84.70750	0.3
90.56497	0.3
94.36234	0.3
95.04921	0.4
97.06462	0.4
98.20528	0.6
99.08054	1.5
100.87784	0.3
109.06499	0.4
113.09648	0.6
125.02309	0.4
127.11194	0.4
129.09160	0.6
141.12781	1.4
155.14397	0.4
158.03697	0.5
159.04507	0.7
167.41891	0.3
170.03717	0.6
172.05214	0.9
173.05978	0.5
185.06078	0.7
187.03873	0.5
187.07584	1.7
190.02737	0.4
199.07634	0.3
201.05473	0.4
201.09181	0.8
202.06418	0.3
212.04701	0.6
213.09140	0.3
214.06200	0.4
214.09795	0.4
215.07082	1.4
215.10806	0.5
231.10335	0.5
241.08775	0.8
241.21811	1.1
243.06697	0.8
243.10181	0.5
243.17601	1.0
245.08273	0.4
259.09811	0.8
269.21252	3.2
285.20718	1.8
287.09460	5.8
287.22330	100.0
288.09970	1.6
288.22672	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	285.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	100.0
60.01595	1.1
67.52418	0.8
69.76985	3.6
69.77402	1.5
71.01254	1.7
83.04906	3.2
83.49296	0.7
96.15716	0.8
96.97054	0.8
98.20624	1.4
175.11696	0.7
175.85373	0.8
205.62532	0.9
225.16109	11.1
226.16237	1.0
285.04041	2.9
285.27136	3.0
307.82626	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.2394
Annotation	Prosopinine
Peak:m/z	Relative Intensity
59.01262	1.1
61.98716	0.6
70.02866	1.1
70.16336	1.7
74.06003	1.8
82.03201	0.4
83.73226	0.4
98.20508	0.4
110.53821	0.5
112.95805	0.3
117.06995	1.3
118.05007	1.0
126.43106	0.3
127.02895	0.4
139.03270	0.4
164.12582	0.3
221.55450	0.4
240.23288	2.9
242.21284	1.1
268.22864	0.9
269.15771	0.4
284.22235	0.5
286.04480	1.3
286.23932	100.0
287.16492	1.5
287.24298	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	287.1407
Annotation	Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate
Peak:m/z	Relative Intensity
57.03298	0.3
59.01263	2.2
64.93330	0.2
65.00194	0.4
68.99694	0.3
71.01260	0.7
71.27055	0.5
75.00761	0.7
83.01262	0.4
84.04435	0.6
92.04941	0.5
95.03658	0.9
96.08094	0.7
106.18286	0.3
107.01273	0.4
108.04388	0.5
112.03967	0.4
113.02362	0.4
117.10508	0.3
120.04467	1.8
121.05299	0.4
122.06041	2.6
123.03173	0.6
124.03949	0.9
124.07606	2.4
125.02339	0.5
133.02846	0.3
134.06015	1.1
135.03554	0.3
135.04416	1.6
135.06839	2.0
136.03958	1.5
136.07571	0.3
137.04744	1.6
138.05534	2.0
144.04469	0.9
145.02855	0.3
145.05261	2.8
146.03632	0.7
146.06070	1.6
146.53635	0.3
147.03159	1.5
147.04337	0.6
148.04008	1.4
149.04773	3.7
149.18300	0.3
150.05571	1.8
151.00368	1.3
151.43341	0.3
159.03246	0.3
160.05200	0.3
161.02293	0.3
162.05511	3.0
162.82745	0.2
163.06326	19.0
164.03505	4.3
164.07103	2.7
165.04172	0.6
166.03703	0.6
166.05046	10.2
167.05853	2.7
172.05307	0.3
175.03996	0.3
176.03491	0.9
177.02730	0.4
177.04262	6.4
178.05092	1.6
181.03819	0.3
181.06551	2.5
182.06816	0.3
184.05331	0.3
187.07649	0.4
188.04799	0.3
189.09198	0.7
190.02625	1.0
192.03023	1.8
194.04552	6.8
195.05345	34.3
196.05765	1.7
199.07620	3.1
208.06085	0.3
209.03331	1.3
215.07216	0.3
215.10857	1.3
225.05583	0.6
227.12836	0.5
231.10216	0.4
243.06660	5.3
243.09177	0.3
243.10315	0.6
244.13383	0.3
259.09747	1.7
269.12936	2.1
287.05341	4.1
287.09180	4.9
287.14056	100.0
288.09555	0.4
288.14386	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	285.135
Annotation	Tensyuic acid E
Peak:m/z	Relative Intensity
51.17758	0.5
57.03327	1.7
58.00463	0.9
58.24372	0.4
59.01269	3.3
59.79133	0.4
61.98704	0.7
62.43731	0.4
63.02293	0.5
63.45649	0.4
65.00191	0.6
68.78445	0.4
69.03344	0.9
70.46309	1.5
71.04908	1.8
72.99198	35.6
73.99551	0.7
75.00761	75.0
76.01109	0.6
83.04911	0.5
85.02834	0.5
87.04395	1.2
96.95934	0.9
97.06476	0.5
99.04418	0.7
106.04145	0.5
107.01293	1.1
109.06498	0.5
120.94634	0.4
129.30536	0.4
133.02879	5.3
134.03102	0.4
149.02376	0.6
151.00314	1.7
161.09692	1.5
163.11223	0.7
165.12804	4.9
175.03888	0.5
177.12891	0.4
179.14368	2.5
195.13980	0.7
199.03961	1.1
205.08708	3.0
205.12251	0.7
209.11801	7.4
217.05177	0.5
223.13464	2.0
239.12952	0.8
241.05133	0.5
241.14478	4.7
250.76508	0.4
267.12378	9.5
268.12808	0.8
284.26895	0.7
285.04160	27.1
285.13495	100.0
285.27051	2.0
286.04446	3.4
286.13846	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	285.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82014	0.1
57.01984	0.1
58.95333	0.2
59.01268	1.0
63.02287	0.7
64.99897	0.2
65.00213	2.4
68.42366	0.1
69.72625	1.0
72.99213	0.3
75.00772	0.5
83.01283	1.5
93.03380	0.2
98.20559	0.1
105.03338	0.8
107.01301	5.0
108.01611	0.2
109.02838	0.2
121.02876	1.0
125.90036	0.1
132.02136	0.4
133.02879	23.9
134.03220	0.8
135.04424	0.2
143.05000	0.3
147.04468	0.2
148.01640	0.1
149.02380	3.2
151.00305	8.3
152.00648	0.3
167.04906	0.2
169.01387	0.2
169.06535	0.2
171.04539	0.6
174.02980	0.1
175.03975	4.8
175.05507	0.3
176.04306	0.2
177.01845	0.2
183.04353	0.1
185.06013	0.6
187.04034	0.2
189.05460	0.2
195.04425	0.2
197.06052	0.6
198.03127	0.7
199.03979	3.6
201.01906	1.6
211.03949	0.4
213.05624	0.9
215.03496	0.6
217.05067	2.3
223.03934	0.2
226.02742	0.3
229.05078	0.3
239.03529	0.4
240.04271	0.3
241.05128	1.5
243.03082	1.1
257.04468	0.8
267.03067	0.5
268.03534	0.2
284.03165	0.2
284.26855	1.5
285.04111	100.0
285.27026	0.4
286.04453	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	285.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45605	0.1
51.93937	0.1
53.02164	0.1
59.01248	0.1
63.02280	1.9
64.99890	0.2
65.00204	2.0
69.42062	0.2
69.42399	1.0
70.94210	0.1
72.54234	0.1
75.60072	0.1
79.18556	0.1
79.99776	0.1
83.01272	0.9
83.48208	0.1
84.03534	0.1
98.20315	0.4
105.03375	0.6
107.01289	3.9
109.02863	0.8
114.88708	0.1
119.04967	0.1
121.02864	1.1
132.02106	0.5
133.02873	17.4
134.03191	0.7
135.04489	0.2
143.04962	0.2
147.04384	0.2
149.02368	2.6
150.02695	0.2
151.00302	6.5
151.03976	0.1
152.00653	0.3
157.02905	0.1
157.06461	0.1
167.04889	0.2
169.06554	0.2
171.04453	0.5
173.02353	0.1
173.06033	0.2
174.03050	0.1
175.03960	3.7
177.01863	0.3
185.06052	0.6
187.03990	0.2
189.05554	0.2
195.04482	0.2
196.05150	0.1
197.06041	0.5
198.03204	0.6
199.03963	2.9
200.04401	0.2
201.01865	1.3
211.03938	0.3
212.04765	0.1
213.05524	0.8
214.02957	0.1
215.03372	0.6
217.05035	1.9
223.04036	0.3
224.04733	0.1
226.02773	0.2
229.05017	0.3
239.03467	0.3
240.04301	0.3
241.05067	1.1
242.02153	0.2
243.03036	0.9
257.04303	0.9
267.03024	0.3
271.92575	0.1
284.00299	0.1
284.03320	0.2
284.26959	0.2
285.04086	100.0
286.04437	8.5
286.07761	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	285.0414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68222	0.3
57.03321	0.6
59.01262	3.5
63.02277	0.9
65.00207	2.5
66.74124	0.2
69.60914	1.8
70.15850	0.2
71.01270	0.3
71.04899	0.4
72.99207	0.5
73.02829	0.2
75.00786	1.4
75.48454	0.2
80.96406	0.4
83.01273	1.7
83.04927	0.3
93.03335	0.2
95.04879	0.3
96.95890	0.4
98.19805	0.5
105.03355	0.6
107.01298	5.0
109.02892	0.3
115.00307	0.3
121.02865	1.1
132.02116	0.7
133.02885	27.4
134.03217	1.3
149.02393	3.7
150.99129	0.5
151.00317	8.4
157.06454	0.3
159.04451	0.3
163.11212	0.3
169.01431	0.4
171.04483	0.5
173.02477	0.2
175.02530	0.4
175.03966	5.1
177.01909	0.3
185.06055	0.3
190.55724	0.2
197.06000	0.6
198.03232	0.7
198.75438	0.2
199.04007	4.2
201.01880	2.1
212.04684	0.3
213.05643	0.6
215.03519	0.8
217.05058	2.5
223.04063	0.4
223.13542	0.3
225.11380	1.1
226.68320	0.2
229.05003	0.3
234.31053	0.2
239.03484	0.3
241.05019	1.2
241.14539	0.2
243.03067	1.2
243.12422	1.5
257.04187	1.1
267.02954	0.5
284.26834	1.0
285.04120	100.0
285.17093	0.8
285.27155	0.5
286.04471	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	285.0409
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00468	0.2
58.17672	0.2
58.31202	0.2
59.01251	0.8
63.02284	0.9
65.00206	2.4
67.01770	0.8
68.99717	0.3
75.00771	0.3
83.01281	0.7
91.83006	0.2
93.03359	1.6
95.01294	1.6
97.93968	0.2
105.03342	0.2
107.01303	1.9
108.99306	0.2
109.02844	0.7
109.99999	0.3
110.08028	0.2
111.00783	0.5
117.03379	3.2
119.01337	0.3
119.04947	2.0
120.05317	0.2
121.02866	0.8
123.00796	1.3
133.02875	6.5
135.00751	0.3
135.04427	0.3
136.01680	0.2
136.98717	1.5
137.02364	1.7
139.00305	1.6
143.04980	1.4
145.02901	1.3
147.00780	0.5
147.04463	0.4
149.02368	0.9
151.00316	2.7
156.05707	0.2
157.06534	0.6
159.04407	0.5
161.02379	0.6
163.00349	0.6
164.01021	0.2
164.98250	0.6
165.01891	3.3
166.99802	0.8
167.04945	0.8
169.06526	1.1
171.04514	2.1
173.05975	0.5
175.03967	1.7
183.04489	0.6
184.05154	0.3
185.06062	2.6
187.03954	2.9
188.04321	0.3
189.05565	0.5
190.99800	0.4
192.00632	0.8
195.04530	0.7
196.05109	0.3
197.06035	0.7
198.03122	0.3
199.03986	1.5
201.01901	0.6
201.05557	0.4
210.03189	0.3
211.03989	1.8
212.04610	0.3
213.05551	4.1
214.05923	0.3
215.03522	1.3
217.05090	1.1
223.04005	0.3
227.03470	0.5
228.04083	0.3
229.05081	1.3
239.03477	2.3
240.04167	0.5
241.05029	3.8
242.05731	0.3
243.03084	0.6
255.03012	0.6
256.03845	0.7
257.04608	3.0
258.04733	0.3
260.65805	0.2
267.02960	1.5
268.03827	2.6
284.26917	0.8
285.04092	100.0
285.27139	0.3
286.04437	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	283.1196
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
57.03321	4.4
58.00464	1.8
59.01263	11.8
68.34489	1.1
70.31929	4.2
70.93303	1.1
71.01260	1.2
72.99197	72.7
75.00765	53.4
83.04908	4.7
85.02864	1.1
86.82700	1.1
87.00774	1.4
87.04411	5.3
106.71698	0.9
109.06474	1.2
120.67554	1.0
161.09622	1.7
163.07492	1.6
163.11266	2.1
175.11067	1.1
176.97354	1.1
177.12752	1.4
189.09164	1.2
193.12308	1.3
207.10242	3.1
221.11745	2.2
239.12914	100.0
240.13216	6.7
255.02747	1.3
265.10852	4.6
283.11942	45.0
283.26471	52.5
284.03094	1.4
284.12219	3.8
284.26785	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57878	0.6
54.60034	0.7
56.75139	0.7
57.03339	5.6
59.01268	10.2
63.53764	0.6
69.09576	0.7
70.96065	0.6
70.96410	1.7
72.99197	67.1
73.99568	1.0
74.80614	0.7
75.00761	50.5
79.39333	0.7
83.04926	3.8
85.02847	1.3
87.00795	1.6
87.04401	6.0
94.15221	0.7
99.04404	1.1
107.08601	0.8
109.06506	1.2
120.05785	0.7
121.06580	0.9
123.08117	0.8
159.11780	0.9
161.09721	1.4
163.07617	1.5
163.11258	2.4
175.11328	0.9
175.35468	0.6
177.12769	1.7
188.91594	0.7
203.10890	1.0
207.10272	4.8
209.11841	1.2
221.11845	2.4
239.12906	100.0
240.13274	8.4
254.41170	0.6
255.03004	0.8
262.59650	0.7
265.10895	3.8
283.11926	39.8
283.26474	15.3
284.12338	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	283.1194
Annotation	Clonostachydiol
Peak:m/z	Relative Intensity
53.68235	0.7
57.03340	4.9
59.01267	12.6
61.63851	1.0
69.65282	5.8
72.99198	63.6
73.99580	1.1
74.62056	0.8
75.00764	47.0
83.04928	4.2
85.02837	1.1
87.04391	6.1
98.19675	0.9
103.00262	1.3
109.06488	1.3
110.66319	0.8
118.42821	0.8
145.10190	0.9
149.09662	1.3
161.09639	1.7
163.07642	2.2
163.11201	2.7
164.07961	0.8
173.61868	0.9
175.11244	1.3
177.12804	2.1
198.19316	0.9
207.10188	4.0
221.11858	1.9
239.12907	100.0
240.13193	6.5
256.09341	0.8
265.10846	2.6
283.02631	1.2
283.11929	40.1
283.26453	28.7
284.03314	1.0
284.12299	2.1
284.27164	1.4
293.20392	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	5.0
57.03339	6.7
59.01267	23.8
60.99189	4.2
69.03334	2.2
70.04301	4.9
71.04908	1.8
72.99207	4.7
73.02832	0.9
73.23734	0.8
75.00771	1.9
79.05424	12.3
83.04915	5.8
85.02838	1.2
95.04931	13.8
97.06525	5.3
99.00792	1.7
99.04428	2.9
101.02363	1.1
103.00314	1.0
104.96474	0.9
107.04935	2.5
107.94633	0.9
109.06499	10.5
113.02332	1.7
121.06564	1.8
124.05235	1.9
125.06011	6.5
125.09657	21.1
126.09998	1.9
135.08116	2.2
137.08800	0.9
137.09680	8.5
141.05519	2.0
143.07031	2.3
151.07643	2.0
159.11731	3.3
161.04745	7.6
161.09575	0.8
162.05466	1.6
169.08655	22.9
170.09061	2.0
171.47054	1.0
175.11299	2.3
177.12820	58.0
178.13152	3.3
181.08678	0.9
192.03046	1.2
193.03784	8.8
195.13837	3.4
203.10884	1.4
221.11845	16.2
222.12253	1.7
223.09937	1.2
237.41873	0.8
239.12923	58.1
240.13210	4.2
241.10770	5.2
255.02977	8.3
256.03690	4.8
265.10901	3.5
283.02582	4.5
283.11896	47.4
283.26489	100.0
284.03339	14.9
284.12253	4.9
284.26877	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	283.1193
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22713	0.8
55.01769	10.1
57.03333	8.8
59.01258	8.5
60.99189	7.3
67.01756	1.1
69.03321	1.2
69.48852	1.4
69.49258	5.0
71.04906	2.1
71.85670	0.7
72.99192	0.8
79.05416	22.0
80.02574	1.6
81.03351	1.9
83.04914	2.3
93.03339	2.0
95.01272	1.4
95.04921	30.8
96.02093	0.8
96.05245	0.8
97.02795	0.8
97.06498	10.8
99.00768	2.3
99.04402	4.5
99.08060	1.1
107.04920	3.5
107.08564	0.8
107.69714	0.7
109.02882	1.3
109.06506	6.7
110.03638	1.1
111.00713	0.8
120.14290	0.7
121.06492	3.5
123.04453	0.9
123.08047	1.6
124.05200	3.1
125.06010	10.5
125.09641	35.3
126.09985	1.5
135.08095	3.6
137.02403	1.4
137.09651	12.2
141.05475	3.3
143.07077	2.6
149.09647	1.5
151.07596	4.8
154.73521	0.8
159.11761	4.5
161.09647	1.3
169.08649	34.9
170.08940	2.2
175.11256	2.5
177.12804	100.0
178.13155	5.9
181.08621	3.1
195.13872	4.0
203.10773	2.3
221.11835	23.9
222.12192	1.2
223.08372	1.0
239.12898	53.9
240.13210	3.0
256.03827	3.2
265.10791	6.6
283.11938	48.7
283.26471	69.2
284.03238	4.3
284.12259	2.4
284.26938	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	283.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08743	0.4
55.01778	0.5
57.03336	5.0
57.21742	0.4
58.00484	1.0
59.01266	21.9
60.99173	0.5
61.49833	0.4
61.98726	0.8
63.23607	0.4
69.03353	0.6
71.01282	1.3
71.04913	0.8
71.25079	1.1
72.99198	63.0
73.02834	0.5
75.00764	45.7
79.95617	0.8
80.30802	0.4
83.04910	4.2
85.02840	0.5
87.00776	1.4
87.04412	5.7
89.02344	0.8
96.95912	0.5
97.06513	0.8
98.19906	0.5
101.02345	0.7
103.00262	1.1
107.04947	0.6
107.08608	0.5
109.02863	0.8
109.06516	1.4
113.02388	0.4
135.04430	0.5
135.08073	0.8
135.11716	0.9
145.10243	0.6
161.04483	0.7
161.09682	1.4
163.07581	1.0
163.11232	2.1
168.04822	1.0
175.11320	1.2
177.12833	1.4
179.10760	2.7
189.09233	0.7
193.12399	0.7
197.11833	0.7
201.02536	0.5
203.10783	0.6
207.10268	3.8
209.11815	8.0
221.11896	1.3
223.08035	1.0
223.09827	1.9
239.12909	84.4
240.13225	5.3
241.10857	4.0
255.03035	2.6
265.10858	4.7
283.02588	1.2
283.11972	42.9
283.26480	100.0
284.03290	1.6
284.12277	3.2
284.26797	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	281.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03339	53.4
57.14914	3.2
58.00484	16.0
58.97161	3.1
59.01263	100.0
64.85461	3.1
70.92316	3.2
71.01267	7.0
71.04919	5.4
72.99197	13.1
79.05432	5.3
83.04922	6.5
85.02835	89.9
87.04408	38.4
95.04923	6.0
97.06503	6.7
98.20181	25.7
99.04429	10.0
101.99480	82.6
102.00114	6.2
103.00272	89.2
107.04942	6.4
107.08559	25.6
109.02859	19.1
111.04406	10.8
113.05988	39.9
123.08099	3.9
125.05985	30.1
133.06535	6.9
133.10168	4.3
151.07611	7.8
157.10182	10.4
159.08096	4.4
160.87445	3.7
165.12807	5.9
173.09723	4.5
175.11232	97.2
175.57907	3.2
176.11768	4.0
177.09120	15.4
177.92105	3.7
191.10663	5.3
193.12300	29.6
201.09155	4.6
217.98831	3.5
219.10237	13.4
229.87410	3.6
237.11345	27.2
280.80392	3.3
281.10382	44.9
281.24933	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	283.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27748	1.0
55.87849	0.8
57.03337	8.5
58.00476	1.5
59.01265	20.4
60.99144	0.9
61.98706	1.0
71.01280	1.0
72.99197	88.5
73.02868	0.9
75.00762	59.9
75.27769	0.8
83.04912	5.6
85.02824	1.8
87.00749	2.2
87.04398	5.7
87.16064	0.9
103.00216	1.1
107.04892	0.9
107.08535	1.3
109.06499	2.2
120.05727	0.9
160.41316	0.7
161.09634	1.9
163.07556	1.5
163.11160	3.8
175.11232	1.8
177.12799	2.0
179.10677	1.7
184.61974	0.8
193.12236	1.0
207.10222	5.7
209.11784	1.8
221.11818	1.7
223.08076	1.5
239.12901	100.0
240.13200	7.2
255.03006	4.8
256.03522	1.0
265.10873	3.5
283.02869	1.6
283.11926	57.0
283.26468	95.9
284.03345	4.9
284.12280	4.0
284.26846	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	281.0885
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85587	2.6
56.32389	2.7
57.01608	2.7
59.01263	100.0
61.01860	2.7
61.98708	3.0
62.28669	2.7
70.48624	8.8
71.01272	12.1
72.99203	9.4
73.02843	20.3
75.00777	8.7
83.01283	3.4
89.02306	4.3
99.04473	3.1
101.02351	17.2
109.02860	28.8
113.02310	3.3
132.52484	3.0
158.16965	2.8
161.04494	3.4
175.11218	3.0
221.11865	17.0
239.12968	20.6
281.14111	4.9
281.24780	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	281.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84121	4.5
57.03338	66.3
58.00486	13.4
59.01271	55.4
60.78128	4.5
71.01293	5.0
71.43008	5.8
71.43327	6.5
72.99207	13.9
76.51620	5.8
83.04889	11.1
85.02837	62.8
87.04418	19.7
93.83265	4.3
97.06486	6.5
99.04478	7.4
101.99500	41.0
103.00276	100.0
107.04957	7.8
107.08590	19.2
109.02900	24.3
111.04410	8.9
113.06003	34.2
125.06020	24.7
125.65798	5.6
135.08064	5.4
147.11748	5.9
151.07619	7.5
152.60503	4.3
157.10139	7.7
175.11249	73.3
177.09169	14.3
186.76060	4.3
193.12315	20.8
201.09219	6.3
219.10153	6.8
237.11320	12.5
281.10507	37.3
284.11734	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	279.109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.87320	1.0
58.00483	1.9
59.01264	41.3
64.38699	0.9
71.01268	22.2
71.04913	7.0
71.53982	1.1
72.00816	1.0
72.99203	3.5
73.02833	2.2
75.00737	1.4
78.95811	1.2
83.01292	1.8
84.02705	0.9
85.02830	4.6
87.00769	1.8
89.02337	24.0
95.01273	1.6
96.96860	4.0
99.00774	1.7
99.04425	8.7
99.76349	0.9
101.02341	17.7
101.05988	1.3
103.87684	0.9
103.91945	3.1
105.01843	8.4
110.02383	1.6
111.01904	1.8
113.02357	8.4
113.06055	1.7
117.01863	2.1
117.05489	50.5
119.03413	11.2
122.89342	8.5
131.03410	0.9
131.07011	1.0
143.03413	1.0
147.04509	1.3
159.06529	1.3
179.05492	1.2
182.70587	0.9
219.32364	1.0
220.93913	0.9
243.06229	3.3
272.62613	0.9
279.10910	100.0
279.23331	4.1
280.11203	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	279.2334
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
55.29533	0.5
56.87441	0.5
60.21671	0.4
65.16934	0.5
66.08507	0.5
70.24965	0.5
71.13959	0.9
71.14286	0.7
73.49665	0.5
82.96705	0.5
105.70514	0.5
172.22617	0.5
218.32109	0.5
279.23349	100.0
280.20731	0.8
280.23724	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	279.1092
Annotation	Hymenoside M
Peak:m/z	Relative Intensity
50.51569	1.2
57.03333	1.5
58.00487	2.0
59.01264	50.3
59.52904	1.2
69.50961	3.3
69.51377	8.3
71.01270	27.4
71.04904	8.7
72.99200	3.3
73.02833	3.2
75.00775	1.5
82.71040	1.2
83.01264	2.5
85.02840	7.0
86.10921	1.3
87.00775	2.2
89.02338	25.4
90.71951	1.5
95.01272	1.7
96.30788	1.4
96.95912	1.8
96.96861	2.6
98.20579	1.2
98.97234	2.0
99.00777	2.1
99.04420	12.4
101.02350	17.4
103.91904	3.8
105.01845	7.3
110.02400	1.7
113.02342	8.4
117.01869	3.2
117.05489	61.0
119.03425	11.6
122.89324	8.3
123.01966	1.3
159.06573	2.0
160.02551	1.6
161.04497	1.9
162.53088	1.3
186.33336	1.3
243.06239	2.5
279.10916	100.0
279.23270	12.1
280.11343	7.2
293.86148	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	277.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62323	0.4
56.82054	0.4
59.01263	1.6
71.01301	0.4
74.15525	0.3
90.86392	0.3
98.20559	1.2
110.95233	0.4
127.36277	0.4
141.16013	0.4
146.08163	0.4
209.07915	0.3
233.22833	0.8
275.20239	0.6
277.21780	100.0
278.22110	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	277.2178
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01250	1.2
61.40708	0.5
69.57963	1.3
69.58382	2.3
91.36213	0.6
98.20560	0.6
103.76083	0.5
103.96362	0.5
115.89745	0.5
118.30056	0.5
119.79438	0.5
277.21783	100.0
278.22107	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	275.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72929	0.2
59.01262	5.1
67.30761	0.2
70.87100	0.6
71.01267	0.7
83.04911	0.7
99.20777	0.2
135.11717	0.2
171.52599	0.2
177.09218	0.3
177.16457	2.4
203.18031	0.4
231.21188	7.8
231.23505	0.4
232.21458	0.6
257.19162	0.9
273.18771	0.4
275.20209	100.0
276.20554	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	277.1299
Annotation	Pentoxifylline
Peak:m/z	Relative Intensity
55.01769	0.9
57.44894	0.7
59.01261	4.2
63.06188	0.7
64.68669	0.9
65.33961	0.7
71.01237	0.8
71.35875	1.7
72.98784	1.3
72.99196	22.5
73.02833	100.0
74.03176	1.9
75.00764	23.2
97.06454	1.1
98.20271	0.9
102.88607	0.8
129.15181	0.7
139.07570	1.2
150.14299	0.7
178.50955	0.8
201.11298	73.9
202.11609	4.3
203.09241	23.6
204.09557	1.2
215.12830	9.2
259.11923	2.2
277.12970	95.7
277.21765	3.3
278.13315	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	277.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01767	0.6
59.01257	0.8
60.52639	0.5
70.04937	1.1
70.05333	1.8
72.99201	11.6
73.02834	51.1
74.03161	0.7
75.00762	15.8
81.45943	0.5
96.95882	1.1
98.20222	1.1
98.66898	0.4
107.85951	0.4
109.06520	0.7
117.01852	0.6
121.67973	0.5
130.06606	0.7
146.08150	0.6
174.05539	0.8
201.11302	60.1
202.11711	2.8
203.09235	18.6
204.09555	1.2
215.12865	6.2
259.11856	1.8
277.12973	100.0
277.21518	3.9
278.13290	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	273.1714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59648	0.2
59.01269	0.4
68.41782	0.3
69.41373	1.2
69.41803	1.4
81.03351	1.0
83.01281	3.0
83.04913	0.4
83.69067	0.3
84.02068	1.7
97.02844	0.8
97.06501	0.6
97.98830	0.3
99.65875	0.3
117.27678	0.3
123.08057	0.3
125.09644	4.1
127.11202	1.3
135.08098	0.5
147.11758	0.4
163.11238	1.3
165.12784	0.9
171.10213	4.5
181.12297	0.5
182.13095	0.5
191.10771	2.6
191.81644	0.3
197.15437	0.4
207.10246	0.4
209.11830	4.1
211.13179	0.4
223.13362	1.0
226.12138	1.2
231.15941	0.5
239.12907	0.4
241.14429	2.1
243.15991	1.1
273.17126	100.0
274.17459	5.7
274.56396	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2284
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
59.01262	0.5
64.88415	0.2
65.00217	0.4
70.62057	0.5
75.52967	0.2
83.01262	0.5
93.03365	0.3
99.20602	0.3
107.01282	0.5
108.02032	0.3
109.02901	0.4
119.04946	1.3
125.02373	0.5
148.37259	0.2
151.00354	1.3
177.01859	0.3
191.75267	0.2
225.22246	3.8
253.21625	1.4
269.21140	0.8
271.06281	2.3
271.22833	100.0
272.23178	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	269.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02845	1.9
59.01272	2.8
65.00219	1.2
71.01269	5.7
71.58572	0.6
72.06232	0.5
72.99189	0.9
73.02838	0.7
75.00755	0.7
79.95615	1.4
80.04974	0.6
80.96398	3.6
83.01268	0.9
83.04919	0.7
85.02850	1.8
87.00776	2.0
96.09341	0.6
96.95918	4.5
98.02367	1.2
99.00822	0.7
102.98493	3.8
107.01288	1.3
113.02349	2.5
114.05518	100.0
115.00276	4.0
115.05895	1.7
117.03382	2.4
121.02798	0.9
126.09166	6.3
133.02861	2.6
137.01390	0.5
138.96909	0.9
149.02312	1.3
151.00299	2.3
154.08676	24.8
155.08931	1.5
157.01369	1.0
166.96596	0.6
175.02464	5.1
179.95564	0.5
189.05580	2.4
197.06032	0.8
205.13620	0.8
225.05745	0.8
225.16093	12.6
225.18355	0.7
225.22197	0.8
254.98105	3.1
256.03845	2.4
269.01645	1.2
269.04623	20.0
269.07663	1.3
269.10559	0.8
269.15143	26.3
269.17752	0.9
269.21310	12.6
269.24905	3.8
270.04901	1.7
270.15491	1.7
270.21652	0.8
284.03220	4.6
285.04083	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	269.1301
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
59.01255	1.4
63.02283	0.6
65.00204	0.6
71.01280	0.9
71.38621	0.8
73.02832	0.5
77.31264	0.4
78.99491	0.4
83.98415	0.4
83.98921	0.3
89.02351	0.7
90.97033	0.6
92.04990	0.6
92.34306	0.3
94.02882	0.8
107.01276	0.7
117.03379	2.6
120.04475	3.0
121.02941	0.3
125.53955	0.3
127.52365	0.3
132.98129	0.7
134.05994	0.7
136.07581	0.4
149.02359	1.3
150.09146	0.6
151.00293	1.1
159.04396	0.5
186.95596	4.1
197.19066	0.4
211.08614	1.9
212.09435	0.4
214.12286	0.5
224.10809	0.5
225.10374	2.9
225.22287	0.5
226.10783	0.4
226.12569	0.8
236.09506	0.7
239.08229	3.1
240.08986	1.1
241.13498	4.3
251.11937	0.9
253.09853	1.4
254.10637	6.9
269.04678	16.6
269.12997	100.0
269.21252	14.2
269.24783	3.2
270.04929	1.5
270.13312	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	269.046
Annotation	Apigenin
Peak:m/z	Relative Intensity
59.01256	0.8
59.90814	0.2
61.98722	0.4
63.02280	3.8
65.00205	3.2
68.22672	0.3
68.23037	0.3
71.01269	0.6
71.56363	0.4
72.99208	0.6
73.68440	0.3
75.00752	0.5
83.01276	1.4
83.04921	0.5
89.00219	0.2
89.02350	0.3
93.03373	0.6
95.03610	0.2
105.03355	0.9
107.01287	4.2
113.05984	0.4
117.03371	15.4
121.02862	1.0
123.04459	0.3
124.07581	0.4
135.04408	0.7
144.04507	0.4
146.06000	0.3
149.02399	4.0
151.00314	6.2
159.04480	2.9
161.02365	0.9
169.06529	0.5
173.06107	0.3
180.05731	0.4
181.06523	0.8
182.03694	0.4
183.04509	1.1
196.05151	0.4
197.06007	0.9
201.05533	1.3
224.04715	0.4
225.05582	3.2
225.22368	0.4
227.03511	0.9
251.13000	0.3
251.20300	0.3
269.01291	3.1
269.04599	100.0
269.21268	6.9
269.24872	1.7
270.01849	0.6
270.04929	7.1
270.21567	0.5
285.04239	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.045
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.22699	0.1
58.29846	0.1
59.95221	0.1
63.02282	6.3
64.02625	0.2
65.00211	3.2
69.66756	0.3
69.67165	0.8
79.01766	0.1
81.03362	0.2
83.00871	0.1
83.01279	0.9
89.00246	0.2
93.03363	1.0
98.19775	0.2
105.03365	0.8
107.01294	5.0
117.03371	14.5
118.03702	0.6
120.40218	0.2
121.02852	0.8
135.04410	1.0
141.03333	0.2
145.02899	0.2
147.00786	0.2
148.01472	0.1
149.01234	0.2
149.02376	3.6
149.03568	0.2
150.02711	0.2
151.00310	3.5
155.04962	0.4
157.06520	0.4
158.03731	0.2
159.04460	4.3
160.04845	0.2
161.02396	1.7
169.06577	0.9
171.04459	0.3
173.06017	0.3
180.05774	0.4
181.06502	1.1
182.03732	0.5
182.06819	0.1
183.04478	1.8
195.04459	0.3
196.05270	0.8
197.06059	1.6
199.04015	0.3
201.05548	1.4
203.03334	0.2
213.05544	0.3
224.04813	0.8
225.05563	2.7
226.05936	0.3
227.03442	1.1
241.05077	0.2
244.96947	0.1
268.03671	0.2
269.04602	100.0
270.04935	7.3
281.71225	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	269.0461
Annotation	Apigenin
Peak:m/z	Relative Intensity
63.02287	1.2
65.00204	3.4
71.14994	0.2
71.15318	0.3
75.28407	0.1
81.03348	0.1
83.01278	1.5
93.03361	0.2
96.13052	0.1
105.03375	1.0
107.01288	5.8
108.01653	0.1
117.03368	22.3
118.03666	0.8
118.15926	0.1
119.64721	0.1
121.02871	1.4
148.01665	0.3
149.02373	8.8
150.02678	0.4
151.00298	10.5
152.00638	0.4
155.04913	0.1
157.06505	0.2
158.90932	0.1
159.04459	2.3
169.01251	0.3
169.06529	0.4
180.05760	0.5
181.06535	1.6
182.03697	0.2
183.04486	1.8
185.02435	0.4
196.05292	0.3
197.05963	0.7
199.03914	0.3
201.05563	2.2
209.02417	0.1
213.05614	0.1
224.04810	0.5
225.05563	4.3
226.05951	0.2
227.03517	1.9
241.04999	0.3
269.04593	100.0
269.21222	0.4
270.04944	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	267.1244
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
51.21402	0.6
52.01788	0.6
57.03343	3.5
59.01266	100.0
61.44035	0.8
61.78657	0.7
61.98722	1.5
69.52430	1.6
69.52829	5.6
71.01254	0.9
71.04914	3.9
71.43810	0.6
73.93873	0.8
80.02603	0.9
83.04936	1.0
87.00794	4.6
96.95947	0.9
97.52559	0.7
98.19801	1.0
103.08128	0.7
104.54852	0.9
109.06529	1.2
118.88573	0.9
153.05539	2.5
161.13338	4.1
163.11252	2.1
171.22510	0.8
187.11372	1.4
205.12294	1.0
207.10223	2.2
223.13406	60.5
224.13814	4.1
267.12439	8.9
267.16187	1.4
267.19885	1.5
268.13046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1449
Annotation	Aspterric acid
Peak:m/z	Relative Intensity
59.01262	24.7
60.41763	0.8
61.98713	0.9
69.41608	7.4
71.01277	2.6
73.02830	1.0
73.30084	0.7
77.93378	0.7
79.73840	0.8
83.04896	1.5
85.02851	2.0
96.95912	1.6
101.02348	2.3
107.04906	0.8
113.02340	1.1
125.02347	0.8
149.13411	0.8
163.03886	0.9
177.05565	1.1
177.16417	2.8
203.14430	2.4
205.07205	0.9
219.13885	1.3
221.15459	100.0
222.15825	5.9
247.13457	1.5
260.64267	0.8
265.14502	16.6
266.14746	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	265.1484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.04524	0.2
59.01260	1.9
70.13860	1.2
75.71882	0.2
79.95165	0.4
79.95599	2.0
95.95137	0.5
96.95910	100.0
161.27626	0.2
179.23643	0.2
258.70706	0.2
265.14822	85.4
266.15176	5.8
271.50433	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1815
Annotation	Tetranor-12R-HETE
Peak:m/z	Relative Intensity
59.01264	43.0
71.01257	4.6
72.30070	1.5
78.95771	10.9
85.02850	2.6
93.03365	2.5
95.04911	3.1
96.95904	2.6
97.06513	9.3
98.04199	1.7
98.20553	5.6
101.02343	5.5
107.28163	1.4
113.02390	1.7
118.05102	1.6
120.29523	1.5
121.10151	34.2
125.05973	4.3
130.96349	1.7
136.34427	1.8
141.05386	1.6
143.07077	57.9
147.04419	2.1
149.13306	3.8
157.08636	2.4
161.02620	1.5
167.10733	8.4
177.05502	4.3
186.90036	2.1
203.18018	12.3
216.42821	1.6
221.15393	2.0
221.19228	2.3
222.23051	1.8
247.17055	65.8
248.17360	5.4
265.14899	5.6
265.18124	100.0
266.18433	6.0
277.62735	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	263.2021
Annotation	KDC 165
Peak:m/z	Relative Intensity
59.01263	14.3
59.08841	0.8
69.62311	6.2
71.01234	0.8
85.02820	1.1
92.20529	0.8
116.32188	0.9
118.82359	0.8
118.93202	0.9
121.02939	0.9
219.11497	0.9
263.20215	100.0
264.20541	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	265.1086
Annotation	Lachnumlactone A
Peak:m/z	Relative Intensity
55.01763	0.6
57.03335	7.6
58.00468	1.0
59.01262	14.7
63.89585	0.5
65.03867	0.5
67.01790	0.6
69.03342	6.3
71.01273	1.7
71.04905	80.0
71.57151	1.0
71.58085	0.5
72.05245	1.1
72.99194	8.6
75.00768	8.6
79.05415	2.7
80.02545	0.6
81.03354	0.8
81.06983	0.9
83.04913	14.0
85.02836	0.9
87.00758	3.7
87.04400	4.1
93.03342	1.9
93.06987	2.4
94.04146	0.5
95.04919	6.3
96.95940	0.6
97.02848	3.6
97.06490	7.7
99.00787	0.9
99.04405	6.0
101.02373	0.5
103.00262	0.8
105.07033	2.9
106.04074	0.8
107.04938	5.4
107.08568	57.4
108.08906	2.2
109.06496	14.1
111.04416	1.8
117.07000	0.6
119.04955	0.8
119.08589	1.1
120.05707	2.1
121.02843	0.5
121.06513	2.5
123.04488	0.7
123.08029	0.9
125.05977	2.2
129.07034	1.0
133.06529	4.5
133.10152	2.7
135.04416	0.8
135.08049	1.4
135.11687	1.6
137.05974	1.7
141.05528	0.6
143.08585	1.5
147.11678	0.8
149.06044	1.6
149.09625	1.5
151.07581	17.5
152.07838	0.8
157.10162	0.5
159.08083	1.3
159.11743	11.0
160.12083	0.8
161.09676	6.7
163.07616	1.4
163.11237	0.7
173.09637	0.7
175.11238	4.6
176.11565	0.7
177.05530	1.1
177.09169	6.8
177.12798	11.5
178.13300	0.7
180.22842	0.6
185.09683	1.5
189.09167	3.2
192.17848	0.5
193.12302	1.2
203.10754	4.5
207.10207	0.8
221.11823	50.6
222.12166	2.7
222.74588	0.5
237.11346	2.0
265.10852	100.0
266.07996	0.7
266.11151	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	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09779	0.3
59.01265	100.0
60.01600	0.9
61.98743	0.4
71.01274	1.2
71.55819	0.5
84.00748	0.5
85.02932	0.6
101.02343	0.6
143.03334	0.4
156.40210	0.4
159.34138	0.4
203.10637	0.9
219.13965	0.5
263.12933	2.1
269.04581	0.5
270.04944	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	100.0
60.01598	0.9
69.32942	3.4
71.01295	0.6
73.02842	0.7
80.97874	0.4
86.44691	0.3
89.63184	0.4
101.02383	0.9
102.56062	0.3
105.23688	0.3
117.38979	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1293
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
55.01762	2.0
57.03325	3.7
59.01266	8.6
69.03339	1.5
70.43140	3.4
71.01250	7.0
72.01986	1.3
79.05444	1.7
83.04908	3.1
85.02800	2.4
95.04958	2.4
97.02846	11.6
105.06994	3.8
105.31245	1.2
107.04910	1.5
108.05727	7.7
109.02855	8.4
109.06489	3.5
111.04425	16.9
111.08074	2.5
111.98486	1.5
113.06001	12.4
119.08569	4.4
121.06477	4.0
121.65838	1.3
122.03654	14.5
123.04465	2.3
123.08085	8.4
125.05988	19.9
135.08098	3.5
136.04280	1.8
136.05237	21.9
137.06004	8.9
138.03036	1.5
138.06793	19.7
139.07573	43.7
140.07863	2.2
148.05249	11.0
149.06010	5.1
149.84933	1.5
151.07584	83.6
152.04736	7.8
152.08363	45.4
153.09145	12.5
157.10144	1.6
159.11696	5.0
161.09622	8.3
163.07590	15.5
167.07095	4.0
170.05704	1.8
171.08081	2.0
185.09627	2.6
186.10397	3.3
188.08388	1.9
189.09142	7.7
201.12827	38.4
202.13203	2.4
203.10742	28.6
204.11537	73.3
205.11922	3.2
219.13902	100.0
220.14221	5.3
245.11829	1.8
248.10559	1.6
263.12912	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	263.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35787	1.1
59.01264	100.0
69.60161	7.7
71.01255	1.7
85.02826	1.5
89.02323	1.3
93.05489	1.1
101.02356	1.8
113.02390	1.8
117.03366	2.1
118.45438	1.2
121.02905	1.3
129.28574	1.2
147.63812	1.0
150.04370	1.0
151.02177	1.6
179.11145	1.1
220.04254	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	263.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01264	100.0
60.01592	0.9
61.98735	0.5
67.39628	0.5
69.40873	1.2
69.41291	3.1
71.01295	1.0
71.32784	0.5
73.02843	1.1
85.02824	0.6
93.94576	0.5
96.35495	0.5
101.02366	0.9
101.05986	1.0
105.16929	0.5
108.33334	0.5
113.02336	0.6
121.02803	0.5
135.08092	0.9
139.92490	0.5
151.07661	0.6
159.12675	0.5
179.68384	0.5
183.48630	0.6
185.25153	0.6
219.13866	1.2
261.18970	0.5
263.13058	1.2
263.16592	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	261.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	42.1
61.98691	0.6
69.58338	4.6
71.01257	1.3
72.99174	0.7
73.02834	71.6
75.00759	1.4
77.54472	0.6
80.91569	2.8
89.02318	0.8
96.95937	0.8
109.06512	0.9
119.04882	0.8
123.00758	0.6
125.09647	2.8
148.05110	0.7
154.02061	0.7
169.08656	1.2
177.09200	0.6
181.12311	1.9
183.10260	0.8
187.09717	35.8
188.04768	0.8
188.10109	1.6
199.13358	7.2
201.11302	34.9
202.11577	1.7
217.12373	1.2
242.94876	1.3
243.12376	12.2
244.12799	0.9
260.95956	1.1
261.13470	100.0
262.13831	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	261.1137
Annotation	Perydiscolic acid
Peak:m/z	Relative Intensity
52.91748	2.1
59.01255	8.1
61.98697	4.2
69.28899	21.4
71.01246	4.9
75.00758	3.9
83.04896	6.1
86.26170	2.4
97.02927	1.8
97.06474	2.4
109.01048	1.7
111.04422	45.7
112.04756	3.3
119.04926	2.1
121.02840	3.2
121.06503	2.4
121.76577	2.2
123.04438	2.3
125.09615	2.9
135.04472	4.4
145.02856	3.3
147.04436	4.3
147.08026	3.6
148.05240	3.0
151.07576	5.4
160.90222	2.4
163.03915	5.6
163.07536	12.1
171.11673	3.2
173.13287	21.2
175.07628	17.2
175.11311	4.2
187.11273	2.8
189.12859	2.8
192.04222	6.0
199.11211	5.8
217.12334	100.0
218.12675	4.8
261.08597	3.6
261.11346	40.1
261.14349	3.3
261.15292	4.2
261.22278	5.0
262.11542	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	259.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
59.02916	0.5
70.72886	1.3
75.08610	0.5
80.02563	1.8
81.03351	1.6
83.04913	5.7
84.02058	4.0
84.48131	0.5
93.03340	0.5
95.04914	1.3
98.02380	5.3
98.19942	0.7
130.05023	2.6
135.08142	0.9
136.36548	0.5
163.11232	5.9
165.12799	3.1
181.12337	1.1
191.10759	1.3
209.11815	100.0
210.12193	5.8
227.12907	12.6
228.13155	1.2
260.31558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.1191
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01262	10.8
60.99189	1.0
61.98721	1.2
67.68170	0.8
70.96101	1.7
70.96426	0.8
71.01270	100.0
72.01601	1.1
78.83477	0.7
78.95778	0.7
87.98369	0.8
88.51249	0.8
89.02339	37.1
90.02690	0.9
98.94170	0.7
106.34692	0.7
125.09644	28.2
126.09991	1.2
135.11790	1.0
153.12828	2.0
167.10735	15.0
169.08672	16.3
170.09026	0.8
179.10651	0.9
185.11774	2.1
186.69743	0.8
197.11844	5.8
211.09773	2.6
215.12978	5.8
223.09746	1.5
229.10855	3.6
230.39503	0.7
239.04004	1.0
241.10814	8.2
259.11923	82.0
259.14325	3.2
260.12231	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	259.1191
Annotation	TRIPROPIONIN
Peak:m/z	Relative Intensity
57.03312	1.0
59.01263	8.4
61.98697	1.0
68.91708	0.8
70.59571	2.9
71.01284	1.4
72.99196	22.8
73.02811	1.0
75.00759	88.0
78.95755	1.2
85.02821	1.3
85.12678	0.8
87.00801	1.0
87.04395	1.6
96.96872	1.2
98.19910	0.9
115.77395	0.9
137.02444	0.8
139.11214	21.8
153.48657	0.8
174.03206	1.6
179.10811	1.1
183.10228	24.6
184.10555	1.0
197.11751	2.8
199.09605	0.9
203.10651	0.9
209.11847	1.5
215.11046	1.7
215.12949	1.4
241.10834	2.5
259.11908	100.0
259.15369	6.7
260.12354	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	259.1192
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03356	0.7
59.01267	16.3
60.01613	0.5
62.95470	0.5
72.99197	1.0
75.00739	1.1
83.04911	0.7
98.20645	1.3
116.95582	0.5
127.11243	0.7
137.09647	8.2
148.15349	0.5
153.09132	1.0
155.10722	100.0
156.11070	4.2
171.10228	22.4
172.10632	1.1
181.08656	1.5
183.10133	0.8
197.11844	1.1
199.09738	37.3
200.10056	2.0
209.11882	0.6
217.10812	98.7
218.11159	6.2
243.76703	0.6
259.02536	1.1
259.11899	23.9
260.12317	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	259.0229
Annotation	D-Glucose 6-phosphate
Peak:m/z	Relative Intensity
56.07381	0.3
59.01271	0.4
62.96280	0.3
69.95690	0.7
69.96093	0.5
71.69232	0.2
78.95792	100.0
96.96860	83.5
101.02345	1.0
119.04867	0.3
138.97935	5.8
162.60649	0.3
168.99022	2.6
198.92119	0.5
199.00111	2.6
201.26254	0.3
216.90678	0.7
222.82637	0.2
223.00159	0.7
229.64288	0.3
241.01221	2.3
259.02280	39.1
260.02615	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	257.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03331	7.7
59.01273	14.9
61.98704	2.6
69.03336	6.4
69.27275	18.2
69.99182	1.5
70.76553	1.8
71.01259	3.9
71.04908	22.2
73.02816	2.5
75.00774	2.6
80.02539	1.7
83.04912	7.0
85.78828	1.5
95.04942	1.9
96.95943	2.9
97.02847	5.2
97.06496	16.7
98.00018	1.5
99.00779	24.0
109.06495	3.7
111.04401	1.7
117.00610	1.7
123.08078	10.7
125.02351	3.6
125.09637	100.0
126.09995	4.5
132.46559	1.6
135.04367	2.1
153.09113	4.7
153.12733	3.4
161.02425	2.4
163.11234	20.4
179.10739	3.7
181.12312	63.5
182.12592	4.5
207.10252	39.2
208.10571	3.6
213.05556	1.9
213.09212	1.9
213.14922	2.9
219.84340	2.1
221.84201	4.8
225.11328	91.9
226.11600	7.7
230.86610	1.6
239.12898	4.0
257.04568	3.4
257.08255	7.2
257.14001	60.5
257.17590	6.9
257.21371	3.4
257.23907	17.3
257.94931	2.2
258.14304	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	259.0229
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07381	0.3
59.01271	0.4
62.96280	0.3
69.95690	0.7
69.96093	0.5
71.69232	0.2
78.95792	100.0
96.96860	83.5
101.02345	1.0
119.04867	0.3
138.97935	5.8
162.60649	0.3
168.99022	2.6
198.92119	0.5
199.00111	2.6
201.26254	0.3
216.90678	0.7
222.82637	0.2
223.00159	0.7
229.64288	0.3
241.01221	2.3
259.02280	39.1
260.02615	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	257.1036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01764	1.3
57.03334	0.7
59.01252	2.2
61.98703	1.0
65.00179	0.5
70.11300	1.5
70.11732	0.8
71.01279	3.9
71.04937	0.9
72.99203	5.0
73.02834	100.0
74.03162	1.7
75.00769	3.2
80.96394	0.7
81.03303	0.5
82.85303	0.5
83.04889	2.3
87.00777	1.9
98.20354	0.9
105.34600	0.5
109.06527	0.5
111.08100	1.0
113.02361	0.8
115.00297	0.7
117.01865	1.0
132.02112	0.5
134.52805	0.5
135.02106	0.5
136.07559	0.6
141.12781	2.4
142.43367	0.5
143.07021	0.6
151.11198	1.5
153.45401	0.5
153.75571	0.4
158.03659	1.6
159.04462	1.5
160.01616	1.0
161.02386	0.6
165.05475	0.7
167.10730	0.8
169.12263	1.0
172.05243	1.5
173.06030	0.9
175.02617	0.9
177.02904	0.4
183.04501	3.5
183.06621	1.2
185.02425	2.1
185.11807	10.3
186.12236	0.6
187.07619	8.7
188.07837	0.7
195.10258	1.8
198.03134	0.8
199.03981	2.0
200.04724	3.2
211.03954	0.6
213.05585	2.1
213.09218	5.2
213.11334	9.1
213.14729	0.4
214.11638	0.8
215.07283	0.8
219.48526	0.5
227.03523	1.0
228.04297	1.9
229.08815	1.0
256.97775	2.6
257.04669	1.5
257.08139	12.1
257.10385	65.1
257.13925	10.8
257.23859	2.5
258.08447	1.1
258.10742	5.9
258.14142	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	257.1035
Annotation	Tensyuic acid B
Peak:m/z	Relative Intensity
57.03329	8.8
59.01258	8.0
60.99200	1.8
61.98714	2.8
62.16798	1.2
67.57574	1.2
69.03342	1.6
69.49126	1.3
70.74230	2.3
70.74598	2.6
71.01267	100.0
72.99191	3.0
73.02832	1.8
75.00747	2.7
83.04916	2.5
89.02360	9.3
106.20881	1.2
121.10191	1.6
123.08071	5.8
136.07562	1.5
147.08136	1.6
151.11229	7.2
153.09155	2.7
165.09148	11.5
167.07094	6.7
177.09123	1.4
183.10245	7.8
195.10233	9.9
213.09267	2.2
213.11301	44.4
214.11586	3.2
227.08205	2.1
239.09282	1.7
257.04474	2.0
257.10318	35.1
257.13635	9.6
257.23813	7.5
258.10709	3.6
258.13409	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1036
Annotation	Trachycladindole G
Peak:m/z	Relative Intensity
53.13490	0.4
55.01767	1.1
57.03335	0.6
59.01258	1.9
60.48333	0.4
60.68571	0.4
61.98722	0.7
71.01276	3.4
71.04916	0.6
71.55635	0.3
72.99207	5.4
73.02836	100.0
74.03173	1.6
75.00770	2.4
83.04897	2.1
85.02849	0.7
87.00770	2.2
87.04426	1.1
109.06490	0.6
111.08051	1.3
115.00230	0.5
117.01861	1.3
132.02065	0.6
137.06017	0.9
141.12796	2.4
151.11218	2.0
158.03693	1.4
159.04494	1.0
160.01610	0.5
167.10660	0.5
169.12265	1.4
171.04532	0.5
172.05273	1.5
173.05951	0.5
175.02437	0.8
183.04469	2.7
183.06578	0.7
185.02400	1.6
185.06000	0.5
185.11800	11.5
186.12158	0.7
187.07628	7.4
188.07954	0.6
195.10252	2.5
198.03140	0.8
199.03987	1.4
200.04782	2.9
211.04013	0.6
211.07628	0.5
213.02113	0.4
213.05615	2.5
213.09221	4.3
213.11327	10.1
214.11697	0.7
215.07120	1.0
227.03441	0.8
228.04234	2.2
229.08705	1.3
256.98129	1.6
257.08130	9.9
257.10379	63.4
257.13885	10.6
257.23862	2.1
258.08453	1.1
258.10748	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	253.2176
Annotation	(Z)-9-Tetradecen-1-ol acetate
Peak:m/z	Relative Intensity
53.29100	7.3
59.01265	100.0
67.07017	7.5
70.95604	16.4
84.77347	7.1
125.07574	8.5
162.56155	8.6
193.07146	19.7
233.91641	7.4
253.21747	48.2
258.30704	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	256.1921
Annotation	N-Lauroylglycine
Peak:m/z	Relative Intensity
59.01255	0.4
61.98746	0.5
64.86393	0.3
66.33565	0.3
70.94474	0.3
71.57327	0.4
72.04440	0.5
74.02361	100.0
75.02695	0.7
76.59607	0.3
84.04453	1.0
85.47157	0.4
86.15722	0.3
95.30991	0.3
103.68402	0.3
109.12912	0.3
119.77894	0.3
124.75709	0.3
129.23630	0.3
210.18745	0.3
212.20181	4.3
213.20532	0.4
213.29982	0.4
219.84537	3.7
246.78467	0.3
256.19238	48.6
256.23541	22.6
257.19543	3.2
257.24023	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0725
Annotation	N-Feruloylglycine
Peak:m/z	Relative Intensity
57.35275	0.4
59.01257	1.8
63.18949	0.4
65.40836	0.4
69.47820	0.4
69.55190	1.0
69.55604	2.2
71.01272	6.5
71.66659	0.4
75.00723	0.4
88.03931	77.9
89.04283	1.1
91.05420	2.1
96.95965	0.4
98.20530	0.9
112.59132	0.4
114.01864	4.6
115.00290	14.3
132.02946	100.0
133.03334	2.0
134.03624	0.6
134.05995	1.2
135.04445	4.3
145.96635	0.4
147.04430	0.5
148.95491	0.4
206.08170	1.9
232.06154	0.5
250.07227	24.9
250.14464	2.4
251.07567	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	253.1085
Annotation	Striatisporin A
Peak:m/z	Relative Intensity
52.08993	0.7
57.03335	15.1
57.95841	0.8
59.01262	100.0
60.01610	1.2
61.98723	1.0
69.53331	4.3
69.53739	1.9
71.01266	1.9
71.04910	1.7
72.99193	29.4
73.02824	2.3
73.45351	0.8
75.00755	2.7
75.97504	0.7
83.04910	5.9
85.02829	1.7
89.02311	1.2
95.01315	0.9
97.02845	0.8
99.00775	1.3
99.04435	0.9
101.02335	2.5
106.04025	1.1
107.08598	0.8
121.06499	2.4
123.02644	1.6
133.02887	1.7
137.02379	5.4
147.08090	1.1
147.11748	3.3
161.04549	5.0
161.09662	2.3
163.11223	11.6
165.12785	1.2
173.09700	1.9
177.01875	1.1
180.10323	0.8
184.43747	0.7
191.10724	7.1
193.07152	16.1
201.93874	0.8
209.11816	97.5
210.12102	6.3
220.31526	0.7
235.09630	1.1
241.88300	0.8
253.10927	7.4
253.14458	2.7
253.21732	2.1
254.11229	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1863
Annotation	9-Oxo-2beta-methoxyclovane
Peak:m/z	Relative Intensity
52.31289	1.1
57.01206	0.9
57.08432	0.9
59.01260	10.3
61.98701	2.3
62.74286	1.3
71.01213	1.2
71.57143	1.3
71.57586	1.7
83.04898	0.9
83.71328	1.0
85.02810	1.8
85.71732	1.2
110.24147	1.0
118.24722	1.0
125.41688	0.9
131.05103	1.2
165.95804	1.1
184.50183	1.2
188.92085	1.1
205.15921	4.0
207.96690	2.2
249.07773	1.3
249.15056	4.9
249.18634	100.0
250.14542	26.7
250.18893	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	247.1706
Annotation	4-Methoxy-1,9-cadinadien-3-one
Peak:m/z	Relative Intensity
54.56776	0.1
59.01255	0.6
64.46751	0.1
69.38747	0.9
69.39147	0.3
71.01279	0.1
71.86200	0.1
89.02354	0.1
90.97009	0.1
98.20586	0.2
101.02340	0.1
121.02858	0.2
132.98137	0.2
165.01897	0.3
173.08266	0.1
174.99142	0.3
179.07111	0.1
184.00133	0.6
186.95517	0.9
205.15880	0.3
220.17039	1.0
231.13954	0.4
247.17053	100.0
248.08054	0.4
248.17381	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	249.1499
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
51.65784	0.5
57.03321	1.0
59.01263	11.0
61.98714	1.0
65.03822	0.5
69.03340	33.5
69.86716	2.7
70.03679	0.7
71.01266	0.7
71.04907	1.1
73.02863	0.6
75.00756	1.1
79.95580	0.6
80.02551	0.6
81.03333	0.6
83.04942	2.8
93.03367	0.9
95.04910	3.5
97.06492	1.9
106.04158	1.0
107.08562	0.6
109.02878	0.5
109.06465	1.1
111.08057	1.2
119.04955	0.9
121.06505	1.2
133.10149	0.8
134.07285	1.5
135.08041	1.0
141.09122	0.6
149.02385	0.5
149.09647	0.8
149.13321	2.5
151.11237	1.1
161.02336	1.0
161.04480	0.6
161.13258	1.1
164.90707	0.5
167.10712	2.0
171.10199	1.2
174.17368	0.4
175.11232	1.1
179.10753	1.2
184.50238	0.9
187.14871	3.5
191.10645	0.5
192.95033	0.6
193.12302	6.0
194.12654	0.9
203.14398	1.4
205.01401	0.6
205.08820	0.5
205.12335	9.1
205.15941	9.4
206.16148	0.8
221.15469	13.7
222.15790	1.3
231.13907	31.0
232.14265	2.8
234.05576	0.5
249.07977	1.6
249.14989	100.0
250.12050	0.8
250.15273	11.9
259.36313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93409	0.4
59.01263	39.0
59.14960	0.4
60.01607	0.6
61.98709	1.1
65.99765	0.6
72.99187	0.4
75.00750	0.5
82.03973	0.5
94.60106	0.3
97.32319	0.4
116.71970	0.4
121.10390	0.4
127.11192	4.1
133.37198	0.4
139.11197	1.5
147.00821	1.0
148.01553	0.9
148.05098	0.4
155.10703	2.3
157.12283	17.3
158.12611	0.7
159.40071	0.4
185.11786	16.0
186.12148	0.9
203.12865	100.0
204.13199	6.3
227.23982	0.4
245.04388	0.8
245.08252	2.0
245.11798	1.3
245.13937	6.5
245.17705	0.4
246.14493	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03334	1.5
58.00480	1.4
58.02848	0.7
59.01270	4.7
61.98719	0.7
67.22243	0.5
69.40125	3.8
69.40534	0.9
71.01260	1.1
72.99190	0.6
73.02851	0.9
74.02347	2.5
80.02536	1.9
80.16975	0.5
81.03340	1.5
83.04917	4.6
84.02077	2.7
95.04914	1.2
98.02367	0.7
98.20580	1.3
114.26342	0.6
114.86031	0.6
116.03465	0.9
116.04961	0.9
121.80986	0.5
125.09643	3.4
127.11216	6.9
135.08057	0.7
137.09636	1.5
139.11247	1.1
149.09686	0.5
155.10722	2.7
157.12309	1.4
159.04398	1.0
163.11244	4.4
164.11591	0.6
165.09129	2.3
165.12805	2.7
169.58058	0.6
171.10231	4.3
172.05305	0.7
173.05988	1.0
183.10222	0.8
187.07579	0.7
189.09189	0.6
191.10756	1.0
199.07883	0.7
199.09741	2.4
201.11313	84.9
202.11623	7.3
203.08209	2.1
203.12862	7.7
209.11827	100.0
210.12164	9.9
213.50226	0.6
216.04396	0.8
217.08833	0.8
217.12488	0.6
227.10785	1.1
227.12910	18.0
228.13342	1.7
245.08360	3.2
245.11848	1.7
245.13985	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	245.1398
Annotation	CHEBI:78812
Peak:m/z	Relative Intensity
57.03328	1.5
59.01258	1.9
61.98709	0.6
63.99450	0.5
69.40191	4.5
71.04909	0.9
73.95839	0.5
75.00773	0.9
83.04923	1.1
88.48664	0.5
97.06477	1.1
111.08060	1.9
125.09604	0.7
145.08788	0.5
148.05203	0.9
155.14383	1.3
156.71553	0.5
165.12804	14.2
165.14113	1.0
166.13100	0.9
171.10237	0.7
179.64597	0.5
183.13873	16.2
184.14238	1.0
199.13315	1.0
201.14944	8.7
207.10170	0.8
209.11804	10.2
210.12198	1.2
225.11374	0.7
227.12888	41.7
228.13213	3.8
233.66864	0.6
243.12311	0.8
245.13969	100.0
246.14313	7.8
268.35336	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0435
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
51.80300	1.9
53.15020	2.9
57.03334	2.3
59.01266	29.9
69.13894	1.9
70.14476	5.1
70.14869	4.3
70.99481	2.4
71.01261	18.8
72.99181	3.6
78.95316	4.4
78.95792	92.1
83.01283	4.9
85.02847	6.2
89.02336	10.8
96.96860	13.2
99.00789	7.7
101.02353	30.7
111.00800	13.7
112.98723	25.2
113.02369	5.5
113.42178	2.1
116.07130	3.6
119.03423	40.9
129.01863	9.2
149.04434	2.8
150.98091	2.9
152.99530	72.5
171.00609	27.0
173.00890	8.7
209.06664	18.1
245.04375	100.0
245.11472	2.3
246.04648	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01735	0.3
57.03337	0.6
59.01260	1.8
61.98690	0.6
65.01337	0.3
69.03322	0.4
69.59347	2.1
71.01272	0.4
71.04910	2.3
72.99171	0.5
73.02779	0.4
83.04931	0.8
84.33771	0.3
97.02846	3.2
97.06481	0.9
99.00782	14.2
102.25097	0.3
106.04082	0.4
109.06497	1.6
110.02364	0.5
110.03625	0.8
113.89529	0.3
121.05106	0.3
123.08079	0.5
125.09637	4.0
126.09958	0.4
135.08075	0.5
136.05183	0.5
142.02660	0.7
146.03534	0.4
153.12796	0.4
155.14365	1.4
161.09721	0.4
163.11232	5.3
164.11551	0.3
171.10265	0.6
181.12305	15.6
181.26817	0.3
182.12624	1.1
197.11787	0.9
199.13379	10.3
207.10249	30.0
208.10611	2.3
220.77966	0.3
225.11322	58.3
226.11659	4.2
243.12398	100.0
244.10149	0.4
244.12741	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	243.1717
Annotation	Ile Ile
Peak:m/z	Relative Intensity
57.03327	0.7
59.01262	3.6
59.19939	0.5
60.16309	0.4
61.98706	0.7
66.03347	0.8
71.56250	0.7
72.99192	3.7
73.02844	1.2
75.00763	2.2
79.93795	0.5
82.02904	0.6
82.06510	2.6
84.08105	0.7
85.92931	0.6
89.35611	0.5
97.06477	0.6
107.93481	0.5
112.07567	1.0
114.09184	0.7
125.09656	0.8
129.10257	3.9
130.08658	36.0
131.09070	1.2
137.02301	0.5
141.10252	0.6
141.32755	0.5
154.94498	0.6
157.13460	1.1
181.12283	0.7
182.15427	3.3
183.10278	0.8
196.69893	0.5
199.13177	0.7
199.18137	22.6
200.18517	1.1
201.11298	4.2
243.02972	0.8
243.12439	15.6
243.17163	100.0
244.12769	1.1
244.17525	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	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
50.84860	0.5
57.03328	1.1
59.01265	18.1
61.98715	1.5
65.01345	0.9
69.03339	1.7
69.66033	4.0
71.01270	2.1
71.04902	1.7
73.02837	1.9
79.80757	0.6
82.03994	0.7
83.04922	0.8
97.02846	2.6
97.06512	0.7
98.19804	1.1
99.00793	7.6
109.06489	0.9
110.02400	0.7
125.09633	3.6
127.11185	3.2
139.11220	6.9
142.02629	1.0
153.12808	1.0
155.14278	0.6
163.11238	4.8
165.09131	0.6
171.10233	1.7
181.12292	18.1
182.12694	1.4
183.10225	13.4
184.10585	1.0
194.62952	0.6
197.11783	1.6
197.40714	0.6
199.03975	0.7
199.13376	34.4
200.13708	4.1
201.11298	2.1
207.10249	25.1
208.10600	1.1
225.11327	55.9
226.11723	4.8
243.02913	1.4
243.12410	100.0
244.12738	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	243.0626
Annotation	Uridine
Peak:m/z	Relative Intensity
55.01770	1.1
59.01265	2.5
66.03373	11.9
68.01292	3.0
70.02844	0.8
71.01266	4.4
71.17813	1.8
72.99181	0.9
79.62865	0.8
82.02875	22.7
83.01280	1.9
84.04434	1.2
84.82143	0.8
85.02848	0.8
87.00774	1.4
89.02331	1.2
94.02873	2.3
94.47859	0.9
96.00778	1.3
96.04447	2.1
99.00780	3.7
108.04462	3.2
110.02387	100.0
111.00790	2.0
111.01917	8.2
111.02728	4.4
112.98714	9.9
115.00266	0.9
115.36391	0.8
117.01854	1.8
122.02386	8.5
124.03958	2.7
126.05507	1.0
129.01869	2.1
132.02904	1.1
138.05556	1.0
140.03464	10.6
142.99777	7.5
145.01375	1.3
152.03470	20.4
153.02983	10.1
153.04042	1.2
164.03482	0.8
173.00858	9.5
173.55721	0.9
182.04483	1.3
200.05618	48.0
201.05946	3.2
205.03499	4.4
210.98262	1.6
224.04251	0.7
225.71849	0.7
226.12018	0.8
243.00894	1.8
243.06262	38.8
243.09958	1.7
243.15979	1.5
244.06551	3.2
244.13101	1.0
260.39087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1241
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
55.01767	0.7
57.03334	0.7
57.91036	0.4
59.01270	1.8
69.03350	0.6
69.34361	4.3
69.34772	0.9
71.01268	0.8
71.04906	4.0
73.02834	9.4
83.04915	1.8
97.02843	5.6
97.06493	2.2
99.00777	20.6
99.81293	0.5
101.04684	0.5
109.06522	1.2
110.03664	2.0
111.04482	0.5
123.08084	1.4
125.09645	7.0
127.11175	1.0
136.05295	0.7
142.02652	2.3
153.12790	1.1
155.14323	1.7
161.09720	0.8
163.11235	9.7
166.83447	0.5
171.10149	0.5
179.10765	1.0
181.12299	25.3
182.12637	1.8
197.11815	1.5
199.13368	22.3
200.13690	1.4
201.07571	0.5
201.11305	0.5
207.10248	47.1
208.10590	4.2
208.89165	0.5
223.28314	0.5
225.11319	81.5
226.11653	7.0
243.12395	100.0
244.12715	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	242.14
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87927	0.4
59.01259	1.6
61.98722	2.9
71.48357	1.0
82.02878	0.6
82.06517	1.8
85.06485	0.8
87.83130	0.5
89.69402	0.5
100.07565	1.9
101.05985	0.7
108.08829	0.5
110.02431	1.1
121.88347	0.5
125.09639	0.5
129.31136	0.6
154.12230	0.7
170.15462	13.0
171.15744	0.8
181.15875	1.2
198.14969	100.0
199.15318	8.3
201.11272	0.6
225.11426	0.6
225.14882	0.7
226.02647	4.2
227.02211	1.0
242.13982	4.6
242.17789	1.7
243.02887	1.1
243.06491	1.8
243.10263	1.1
243.12376	1.3
243.15985	1.4
256.70941	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44094	0.3
59.01261	20.6
64.21193	0.2
70.80856	0.8
71.01262	0.7
73.02827	0.3
74.98959	11.2
85.02825	0.6
85.38963	0.3
87.00760	2.9
91.02100	9.9
91.02666	0.5
93.00030	4.2
97.02847	0.2
99.00758	0.9
101.02334	0.5
102.64901	0.2
104.49606	0.3
117.01853	0.5
125.02400	0.3
149.00891	4.3
150.00928	0.3
161.04472	2.9
179.05560	15.0
180.05894	0.7
206.99680	2.6
207.99608	0.3
223.02827	100.0
224.02878	14.1
239.05945	0.8
239.12819	0.6
241.03889	1.4
242.03777	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.61781	0.4
56.66557	0.6
57.03330	1.2
59.01256	1.6
61.98726	1.0
69.03339	3.7
69.50830	0.8
69.51240	3.4
71.01274	1.7
71.04905	4.7
73.02836	0.5
75.71869	0.6
79.44769	0.5
80.82113	0.5
81.03355	0.9
83.04923	1.4
85.74328	0.5
95.04916	0.4
97.06465	0.7
98.19827	1.1
106.51849	0.4
123.08078	1.5
125.09650	3.2
129.05478	0.5
151.11168	1.7
153.12779	3.4
161.09674	3.6
169.12297	0.7
179.10724	9.6
180.11124	0.5
187.07552	0.6
195.10226	0.7
197.11803	100.0
198.12114	7.5
205.08633	1.0
223.09766	7.6
241.10822	93.3
242.11168	8.4
261.41101	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	236.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83626	0.1
54.74469	0.1
55.01787	0.1
57.03317	0.2
59.01267	1.7
61.98714	1.1
69.33222	1.4
71.01270	0.5
73.02846	0.2
75.00771	0.4
85.02837	0.3
85.56576	0.1
96.95922	0.1
101.02347	0.4
113.02422	0.2
121.02876	0.2
129.01894	0.2
134.03682	0.4
135.04453	0.4
136.05244	0.4
148.05235	7.6
149.05812	0.5
149.09644	1.2
161.02426	0.2
162.06815	0.5
163.07565	0.1
165.09079	0.2
175.07584	0.4
176.08382	0.6
177.09166	37.5
178.09509	3.2
179.10619	0.3
180.07932	0.2
190.09953	1.6
191.10753	0.7
192.11523	28.7
193.11906	2.7
201.09195	0.4
203.07150	0.6
217.08693	2.8
218.09468	7.2
219.09854	0.6
236.10550	100.0
237.10953	10.0
237.14525	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	233.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01263	22.0
59.96604	0.3
60.01586	0.4
60.97411	0.3
66.77777	0.2
67.01777	1.1
70.62907	0.2
70.63251	0.8
71.01274	0.3
73.19804	0.2
73.25155	0.2
74.98959	5.9
91.02116	0.9
93.00029	2.5
93.03357	4.7
94.03720	0.4
111.04444	0.7
113.57563	0.3
118.96169	0.8
121.49255	0.3
128.93779	0.2
134.99316	6.1
135.99294	0.5
136.97244	1.9
141.07240	0.4
143.05246	0.4
149.00893	59.9
150.00858	4.5
150.98828	0.8
159.08441	1.7
161.06346	3.3
167.01999	0.3
173.04518	5.8
188.98601	0.3
192.95398	0.2
215.05696	1.6
217.07204	88.5
218.07341	10.6
233.10349	100.0
234.10487	13.1
234.15585	0.4
235.08298	0.5
238.03415	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.01686	1.2
57.03330	13.5
57.35499	1.2
59.01265	100.0
60.99179	1.9
62.70837	1.4
67.01759	4.3
68.99707	2.1
70.21062	5.2
71.01268	45.5
72.34145	1.3
72.99203	1.8
73.02840	7.4
83.01271	11.1
85.02855	9.5
87.00759	2.2
93.03362	8.7
99.00774	19.2
101.02359	2.1
109.02871	1.5
111.00789	19.6
111.01492	2.5
116.52032	1.3
120.36719	1.3
128.43779	1.2
129.01863	25.5
150.75897	1.7
156.82065	1.4
173.00919	3.2
173.04523	8.9
204.03662	1.5
228.54224	1.3
233.06667	1.4
233.10374	1.4
233.15512	12.9
234.09894	4.9
242.17352	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.26353	0.3
57.03331	1.2
61.98722	0.3
69.41590	2.5
71.01269	0.3
71.04910	0.5
83.04914	0.6
84.02084	0.3
85.02840	0.8
92.02429	0.3
97.06483	0.3
98.19874	0.6
106.51369	0.2
111.12187	0.3
113.97142	0.3
124.58057	0.2
125.09636	2.5
127.11214	4.2
142.01611	0.4
149.52409	0.2
155.14377	1.9
165.12799	0.8
167.14336	1.3
171.10233	4.3
183.13893	1.0
201.14903	0.3
209.11824	2.3
211.13440	6.1
229.14461	100.0
230.14803	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	231.1603
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
50.64737	0.2
57.03338	1.3
59.01258	0.3
61.98698	0.2
66.40038	0.2
69.64156	0.5
69.64569	0.8
71.01241	0.2
77.48173	0.2
80.05424	0.2
85.02869	0.2
87.04398	0.3
120.03031	0.2
125.09612	0.3
127.11201	2.0
134.03629	0.2
138.64456	0.2
142.06276	0.2
147.04483	0.2
155.14343	0.7
159.11493	0.2
167.14415	0.4
168.37218	0.2
171.10222	4.9
172.10513	0.3
183.13824	0.4
185.15408	0.4
195.13855	0.6
202.94427	0.2
211.13385	0.4
213.14925	4.3
214.15314	0.4
225.64995	0.2
229.14453	3.3
230.14883	0.3
231.16017	100.0
232.16344	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	229.1447
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
52.66637	0.2
57.03340	1.2
59.01255	0.4
59.95881	0.1
61.98703	0.4
64.47250	0.1
65.99743	0.2
69.31480	1.1
69.31902	0.3
71.01275	0.2
71.04919	0.7
73.22416	0.1
75.00784	0.1
78.00430	0.1
82.49992	0.2
83.04903	0.4
84.02055	0.3
85.02833	0.8
85.06489	0.2
97.06502	0.5
98.20502	0.3
108.13171	0.1
113.02384	0.1
123.08054	0.3
125.05975	0.2
125.09640	4.1
126.09952	0.3
126.98029	0.2
127.11205	4.6
128.11534	0.2
128.43762	0.1
133.02904	0.2
134.03494	0.1
142.01564	0.4
145.18559	0.1
155.14352	2.5
156.14760	0.2
160.05130	0.2
165.12843	1.0
166.71851	0.1
167.14375	1.8
171.10220	0.6
183.13872	0.8
184.14275	0.1
185.15431	0.4
209.11798	2.0
211.13393	3.2
212.13707	0.2
229.14456	100.0
230.14787	9.1
231.04570	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	229.1446
Annotation	Dodecanedioic acid
Peak:m/z	Relative Intensity
53.44181	0.2
54.17776	0.2
57.03338	1.0
57.37340	0.2
59.01264	0.3
61.98711	0.3
70.02098	0.7
70.02509	0.5
71.01261	1.1
71.04883	0.2
77.10079	0.2
83.04930	0.4
84.02061	0.4
85.02843	0.8
87.04455	0.3
90.05840	0.2
97.06511	0.2
125.09645	2.1
126.09980	0.2
127.11213	2.9
135.75536	0.2
142.01614	0.5
155.10735	0.2
155.14343	0.8
165.12761	0.6
167.14342	1.9
171.10208	3.2
182.41742	0.2
182.98917	0.2
183.13834	1.7
193.12276	0.7
202.73798	0.2
209.11807	2.7
210.12134	0.2
211.13394	9.0
212.13675	0.9
229.14455	100.0
230.14796	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	227.1288
Annotation	Traumatic Acid
Peak:m/z	Relative Intensity
57.03343	0.5
65.05566	0.2
66.71381	0.2
71.56748	0.5
78.19724	0.2
83.04925	0.5
84.02097	0.4
87.22279	0.2
111.08080	0.9
154.26910	0.2
157.28787	0.3
163.11230	0.7
164.47655	0.3
165.12794	20.6
166.13141	1.9
170.58788	0.2
183.13867	100.0
184.14270	8.5
191.10703	0.2
209.11818	10.7
210.12137	1.1
227.12880	23.3
227.20107	1.0
228.13216	2.7
239.43652	0.3
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	Cladospolide B
Peak:m/z	Relative Intensity
57.03326	0.3
59.01051	0.2
59.01268	2.6
61.98720	0.5
65.99740	0.4
69.03361	0.3
69.47005	0.2
69.64014	0.6
69.64423	1.4
71.04893	0.5
80.02561	1.9
81.03339	1.6
83.01270	0.4
83.04912	6.6
84.02057	3.6
84.05243	0.3
92.02390	0.3
92.94993	0.2
93.03358	0.3
95.04935	1.0
97.06466	0.4
106.04029	0.3
109.06490	0.9
111.00822	0.2
111.08055	0.3
125.05983	0.8
125.09629	0.7
125.50121	0.3
135.08051	0.7
137.09554	0.3
147.11673	0.3
152.93604	0.3
153.12788	0.3
153.70186	0.3
155.08980	1.9
157.05116	0.3
157.59877	0.3
163.11250	5.0
164.11540	0.6
164.60902	0.2
165.09180	0.3
165.12782	4.0
181.12323	1.1
183.13853	0.4
191.10828	1.8
197.05992	0.7
198.06772	0.5
199.04019	0.5
199.07655	0.3
201.07738	0.4
209.11819	100.0
210.12166	9.6
227.03464	0.7
227.07100	0.9
227.10802	2.1
227.12907	6.1
227.16469	0.6
227.20094	1.5
228.11061	0.3
228.13216	0.7
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
50.81434	0.3
51.68980	0.3
54.00195	0.3
62.44337	0.3
67.28409	0.3
69.73307	1.8
71.04901	0.3
71.78396	0.3
80.02569	1.7
81.03354	2.1
83.04915	6.4
84.02064	3.8
95.04912	1.0
98.20497	0.3
99.05760	0.4
125.06009	0.7
125.09598	0.4
132.98883	0.3
135.08073	1.0
141.68304	0.3
160.49820	0.3
163.11241	5.0
164.11594	0.5
165.12804	3.6
177.73941	0.3
181.12299	1.0
191.10735	1.4
209.11812	100.0
210.12143	9.8
227.12862	3.7
228.13211	0.3
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	Cladospolide B
Peak:m/z	Relative Intensity
52.43622	0.3
60.59058	0.2
67.63890	0.2
69.41499	1.7
69.41927	0.7
72.31647	0.2
76.36446	0.2
80.02555	0.7
81.03342	1.1
83.04913	4.3
84.02058	2.0
85.17979	0.2
89.77504	0.3
95.04915	0.4
96.79540	0.2
97.06492	0.3
104.05061	0.3
121.57183	0.3
125.05984	0.3
135.08070	0.4
137.61768	0.3
163.11235	3.1
164.39575	0.3
165.12796	2.5
170.88794	0.2
171.29932	0.3
179.12561	0.3
181.12419	0.3
191.10750	1.0
209.11812	100.0
210.12155	10.7
227.12872	3.7
228.13170	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1497
Annotation	MKN-003C
Peak:m/z	Relative Intensity
58.39566	0.4
59.01051	0.3
59.01264	4.3
60.99184	1.1
61.98712	2.5
69.03343	0.6
71.01274	0.7
71.04616	0.7
71.04948	0.8
72.11295	0.4
81.03345	0.7
83.04926	0.9
93.03365	1.6
95.04966	0.6
97.02829	0.6
109.06512	2.3
124.73049	0.5
137.02419	0.8
151.11253	1.1
153.12784	5.5
154.13080	0.5
163.11224	1.5
163.14886	0.8
171.13828	2.1
178.83336	1.9
181.08698	0.6
181.12312	2.8
181.15898	0.8
189.12891	0.9
195.02989	0.8
195.13881	8.4
196.14250	0.6
197.11861	4.4
197.15421	3.6
207.10318	4.4
207.13879	21.6
208.14191	1.9
208.62950	0.4
210.05328	0.5
225.11707	8.5
225.14952	100.0
226.11775	0.6
226.15309	10.6
243.23988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03320	1.3
59.01262	12.0
65.05899	0.9
65.56824	0.9
66.38884	0.8
69.03356	1.9
69.96347	0.9
70.59228	2.9
71.04882	1.2
75.98503	0.8
80.02563	2.0
81.03354	4.7
83.04916	4.8
84.02067	4.0
92.25315	0.9
93.03365	1.0
95.04925	2.5
96.95919	1.7
97.02848	12.5
99.00777	2.2
109.06500	50.9
110.03651	5.1
110.06815	2.0
121.06487	3.2
123.04464	1.2
135.08098	5.6
136.05194	2.7
142.02652	3.2
147.60054	0.8
153.12769	3.7
161.09665	1.9
163.11232	30.2
164.11612	2.9
181.12296	19.5
182.12514	2.0
189.09090	2.2
197.11801	2.8
207.10251	99.0
208.10597	10.9
225.11322	100.0
226.11638	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18920	0.5
59.01263	3.9
71.36684	1.3
81.03349	1.9
83.04903	1.5
84.02044	1.0
95.04905	0.9
97.02847	8.1
99.00770	2.9
109.06507	16.9
110.03624	3.5
110.06828	0.9
121.06488	1.2
125.09663	1.0
135.08081	2.8
136.05217	2.1
136.68134	0.5
141.94113	0.5
142.02634	3.9
153.12770	1.7
161.09624	1.4
163.11226	16.5
164.11591	0.7
181.12300	24.0
182.12669	2.6
189.09212	1.2
190.45554	0.6
197.11816	1.6
207.10243	70.4
208.10611	6.6
225.11319	100.0
226.11623	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01266	16.6
69.03342	2.0
69.30923	5.7
69.31353	5.9
78.09536	1.1
80.02563	2.6
81.03353	6.2
83.04909	5.6
84.02063	4.2
93.03358	1.7
95.04949	1.6
97.02848	12.0
98.19768	2.0
107.04910	1.8
109.06496	64.0
110.03640	5.4
110.06799	3.1
121.06490	4.3
123.08083	1.3
125.09637	1.2
132.83087	1.0
135.08064	8.0
136.05197	3.2
142.02699	5.3
142.03894	1.2
145.10168	1.5
154.94305	0.9
161.09622	3.6
163.11229	38.6
164.05603	1.0
164.11540	2.5
179.10788	1.5
181.12303	16.9
197.11691	2.2
207.10245	100.0
208.10571	11.2
225.11320	69.8
225.13617	1.4
226.11621	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	225.1133
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45844	0.8
59.01264	14.4
61.98707	0.8
65.53742	0.7
69.03359	1.7
70.58958	2.6
71.04934	0.8
80.02567	2.5
81.03354	6.4
81.78512	0.8
83.04907	5.2
84.02047	4.3
85.02848	1.2
91.61422	0.8
93.03364	0.9
95.04932	1.4
97.02849	10.4
99.00774	0.9
99.04424	0.8
100.31102	0.7
106.04129	1.0
107.04941	1.8
109.06501	62.2
110.03631	4.9
110.06832	3.8
121.06493	3.0
123.04460	0.9
125.09551	1.1
128.20857	1.0
135.08090	6.8
136.05231	2.0
142.02654	5.5
153.12787	2.9
161.09653	2.9
163.11234	36.2
164.11562	3.9
179.10820	1.0
181.12300	13.8
182.12727	2.4
189.09212	1.3
197.11751	1.2
207.10254	100.0
208.10599	9.1
213.67619	0.9
225.11333	80.0
226.11638	8.3
247.83344	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	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03313	1.0
59.01260	6.4
66.33778	0.8
69.03342	7.0
71.04902	1.3
71.47628	1.4
85.06477	1.2
88.20498	0.6
93.73080	0.6
95.04896	0.9
109.06542	1.0
125.09679	0.8
146.81000	0.7
149.09685	1.1
161.13290	1.7
163.55482	0.8
167.10715	7.6
168.11180	0.8
177.12904	1.2
179.10722	2.4
179.14391	9.0
180.14795	1.1
195.13881	23.6
196.14203	2.4
205.12331	19.4
206.12679	1.7
223.13385	100.0
224.13736	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	223.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31618	0.5
57.03335	1.4
57.69378	0.5
59.01262	7.2
61.98706	0.7
63.55983	0.5
65.03860	0.5
66.47263	0.5
69.03345	6.3
69.84212	0.4
70.62643	1.5
71.01257	0.7
71.04908	1.5
75.27827	0.5
83.04914	0.7
85.06478	1.8
95.04928	1.0
95.33453	0.4
97.06452	0.6
109.06475	1.7
125.09669	0.8
135.11736	0.8
139.07101	0.5
141.01653	0.9
149.09653	1.1
167.10754	7.6
168.11136	0.5
176.83607	0.7
177.12721	1.1
179.10797	3.4
179.14389	9.4
180.14656	0.9
187.11234	0.5
195.13887	22.4
196.14227	2.1
205.12344	19.6
206.12619	2.2
223.02803	0.9
223.13402	100.0
224.13748	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	221.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89457	0.3
59.01265	17.9
60.01616	0.4
68.99708	0.4
69.41959	1.9
69.42372	1.0
73.02843	1.1
83.01271	0.6
85.02860	0.8
101.02402	0.4
105.03286	0.5
107.04904	0.5
119.04958	1.1
121.02870	5.4
123.00803	1.8
124.01575	0.3
129.03430	0.4
133.06859	5.7
134.03668	41.7
135.03909	2.7
136.05226	6.3
137.87764	0.3
138.03154	1.5
142.01584	0.7
145.02914	1.3
145.06610	0.3
147.04448	9.2
148.04779	1.0
149.02417	3.1
149.06024	100.0
150.03059	0.6
150.06369	7.8
151.03999	0.6
161.02406	1.3
161.04533	1.3
161.05824	0.3
162.03186	1.2
162.06807	5.4
163.03957	10.8
163.07036	0.5
164.04596	1.1
165.05519	1.7
168.04279	1.8
169.04675	0.4
173.02393	2.9
174.02840	0.4
176.04674	0.4
177.05525	1.7
188.04741	0.9
190.02769	0.5
191.03479	33.3
192.03787	3.3
205.05042	3.9
206.05836	74.8
207.06151	7.8
221.08221	15.4
221.11772	0.7
222.08525	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	221.0818
Annotation	CHEBI:69694
Peak:m/z	Relative Intensity
54.25344	0.3
55.80988	0.3
56.48448	0.4
57.88603	0.3
59.01260	17.7
60.01619	0.3
63.66179	0.4
70.04956	0.3
71.01263	0.4
73.02827	0.7
73.53833	0.3
91.05418	0.3
101.02358	0.6
103.05382	0.4
105.03382	0.6
107.04912	0.8
117.07002	0.7
118.96230	0.4
119.04942	1.2
121.02862	5.9
123.00803	1.4
129.03386	0.6
133.02893	0.4
133.05910	0.5
133.06857	6.4
134.03659	46.4
135.04071	2.6
136.05228	6.7
138.03113	1.6
142.01541	0.4
145.02878	1.9
147.04451	9.3
148.04843	0.7
149.02425	3.1
149.06013	100.0
150.03116	0.7
150.06351	7.5
161.02385	1.0
161.04474	1.2
162.03127	1.2
162.06824	5.0
163.03949	11.9
163.06989	0.4
164.04485	1.5
165.05548	1.9
168.04204	2.1
173.02367	2.5
175.03845	0.5
176.04765	0.4
177.05545	1.5
181.32976	0.4
188.04759	0.5
190.02563	0.5
191.03462	33.4
192.03787	2.9
205.05072	4.4
206.05820	74.4
207.06163	7.0
221.08228	16.3
221.11757	0.7
222.08551	2.3
224.39818	0.3
229.13715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58900	0.5
52.95283	0.5
53.48713	0.5
59.01264	22.2
64.42517	0.5
69.40683	0.8
69.41085	3.9
69.71921	0.5
70.20262	0.5
71.01244	0.6
73.02843	0.8
85.02868	0.8
93.03354	0.5
107.04955	1.1
117.03369	0.5
117.07054	0.6
119.04951	0.8
121.02876	10.1
122.03213	0.8
123.00793	3.6
131.03412	0.6
133.02878	1.2
133.06845	3.6
134.03661	48.8
135.03912	2.4
136.05229	20.7
136.06300	0.7
137.05602	0.8
138.03178	2.5
145.02913	2.1
147.04468	6.5
149.02451	3.2
149.06018	100.0
150.03195	0.8
150.06374	7.3
154.77832	0.5
161.02448	1.2
161.04485	1.2
161.05904	0.4
162.03174	1.6
162.06802	3.0
163.03957	12.4
164.04695	1.2
165.05511	1.8
168.04253	6.3
173.02409	2.5
177.05551	1.8
179.29082	0.5
188.04665	1.3
191.03482	36.0
192.03807	3.0
203.07089	0.8
205.05115	3.7
206.05838	82.9
207.06157	8.1
221.08203	23.8
222.08536	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	221.0818
Annotation	Monoisobutyl phthalate
Peak:m/z	Relative Intensity
51.57602	1.2
59.01263	100.0
60.01604	1.6
61.98710	1.1
69.03341	30.6
70.03692	1.0
71.01273	1.4
71.04905	67.9
72.05222	1.7
73.02820	2.2
75.02295	1.6
85.02815	2.0
89.02365	1.2
93.03352	2.3
94.71779	0.9
101.02342	1.8
104.36388	1.0
106.48400	0.9
107.04935	3.7
121.02873	28.8
122.03156	1.2
133.96283	0.9
134.03676	12.2
135.04407	1.0
147.00816	4.7
147.08118	1.0
149.02357	0.9
149.06026	1.6
149.09662	8.1
153.46666	0.8
161.04474	7.7
165.01923	1.8
175.07500	1.6
177.05421	1.0
177.09158	13.3
190.99818	3.3
191.58678	0.8
193.08612	1.7
206.01997	1.0
221.04684	1.2
221.08208	27.0
221.11769	2.1
222.08545	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	221.0456
Annotation	Sphagnum acid
Peak:m/z	Relative Intensity
54.18330	0.3
55.01772	10.3
58.02892	0.3
59.01263	63.9
60.01609	0.7
61.98724	0.7
68.01293	0.3
69.65337	1.8
69.65748	0.7
71.01260	1.9
71.04914	0.4
72.99224	0.4
73.02838	2.9
74.02367	0.8
75.00754	0.8
78.38657	0.3
81.03365	0.4
83.01283	1.0
85.02869	1.3
89.02351	0.5
93.03377	0.5
97.03968	0.4
101.02374	1.8
109.04020	0.4
113.02351	1.1
115.05459	1.1
119.02409	0.4
121.02852	0.5
131.03429	1.0
131.03981	0.5
131.04948	8.5
132.05289	0.5
133.06519	100.0
134.06847	6.2
137.03520	0.4
145.02885	0.5
147.53987	0.3
148.05162	0.5
151.05064	0.5
159.04453	10.6
160.04851	1.0
161.04500	5.6
163.06239	0.4
174.29008	0.4
177.05522	5.8
177.07059	0.5
178.06001	0.5
178.08771	0.4
190.99823	1.3
197.99750	0.4
203.03467	4.2
206.02139	0.6
221.04564	11.1
221.06499	0.7
221.08246	0.4
221.11844	1.5
221.15445	1.2
222.04901	1.1
222.07661	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	(-)-Pestalotin
Peak:m/z	Relative Intensity
50.29926	0.6
57.03339	3.7
59.01267	2.9
61.98714	1.1
65.01326	1.5
69.03327	0.9
69.82533	2.9
71.01272	0.5
71.04905	0.5
75.10838	0.5
83.04930	1.5
85.02869	0.7
85.06510	0.5
87.04405	0.5
91.02939	0.5
92.02444	0.6
95.04900	0.5
106.04026	0.9
111.08069	10.1
116.02493	0.6
121.05115	0.6
123.08078	37.8
124.08413	1.8
125.09616	4.8
127.11251	0.6
130.03998	0.9
132.05496	0.6
133.04106	0.5
137.09665	7.1
139.11218	57.0
140.11571	3.4
143.03580	0.7
144.05550	1.0
148.05109	0.6
148.70821	0.5
149.09666	0.8
151.11224	9.1
152.08412	0.5
152.11577	0.9
153.09163	0.9
154.45242	0.4
155.10698	1.2
160.05020	1.1
167.10707	2.8
169.12300	7.0
171.06735	1.0
172.06233	1.4
181.03061	0.6
185.06158	0.7
185.11810	2.4
186.06728	0.8
187.06232	2.4
213.05608	1.9
213.11313	100.0
213.14838	3.9
214.07350	0.6
214.11644	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	213.1495
Annotation	Putaminoxin E
Peak:m/z	Relative Intensity
59.01255	0.5
60.92707	0.2
61.19175	0.2
61.98707	0.7
69.53652	0.3
70.63279	0.4
70.63631	0.6
80.89899	0.2
83.04933	0.3
91.72337	0.2
105.14854	0.2
126.12701	0.2
151.11169	0.4
165.12756	0.4
169.12225	0.6
171.06718	0.3
183.13864	24.9
184.14180	1.9
186.06766	0.4
187.06210	0.3
195.13878	19.3
196.14259	2.3
211.13339	0.8
213.14944	100.0
214.15288	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	213.1132
Annotation	2,2'-(3-methylcyclohexane-1,1-diyl)diacetic acid
Peak:m/z	Relative Intensity
57.03342	0.5
59.01273	0.8
61.98723	0.4
65.01356	0.6
65.99726	0.3
70.99134	0.7
70.99469	0.3
71.04925	0.3
71.79423	0.3
83.04917	0.4
91.25206	0.2
97.06478	1.2
106.88678	0.3
118.04031	0.4
123.08140	0.3
125.09651	0.3
144.05582	0.2
150.22713	0.3
151.11226	12.9
152.11575	0.8
169.12292	100.0
170.12648	7.3
171.06795	0.4
186.06717	0.6
187.06235	0.6
195.10291	0.8
201.85724	0.2
213.01610	0.4
213.05650	0.5
213.11308	22.8
213.14854	1.7
213.18549	0.9
214.05043	1.2
214.07095	0.4
214.11577	1.7
231.72102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48031	0.4
57.03354	0.6
59.01265	1.5
61.98740	0.4
65.01334	0.7
67.38019	0.4
70.72565	1.5
83.04910	0.5
93.03341	0.6
93.54951	0.5
97.06490	1.1
102.48444	0.4
108.64200	0.5
116.07111	0.8
122.03466	0.4
123.08018	0.5
125.09656	1.7
143.57552	0.5
144.05623	1.1
145.03978	0.6
145.05157	0.6
151.11223	14.8
152.11555	0.9
169.12291	100.0
170.02475	0.4
170.12636	9.3
171.06738	0.9
172.06294	0.6
185.11882	0.7
186.06638	1.0
187.06142	1.1
193.76540	0.5
195.10239	1.1
213.05708	0.7
213.09386	0.8
213.11308	18.6
213.14601	3.0
213.18491	0.8
214.07394	0.8
214.11581	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	211.1339
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
59.01261	0.5
60.30756	0.2
61.98698	0.3
69.03333	0.7
83.04907	0.5
98.20671	0.5
137.09599	0.3
155.10739	0.5
165.12840	0.5
167.10719	0.9
167.14397	1.6
169.45262	0.3
183.13872	13.6
184.14183	1.1
193.12320	3.5
211.13388	100.0
212.13719	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	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
57.03337	4.5
58.00481	0.9
58.14220	0.4
59.01258	4.1
59.87730	0.4
61.98718	4.7
63.54683	0.5
69.03342	2.7
69.21579	2.2
69.21997	2.7
71.01270	20.5
71.04899	1.7
72.01581	0.6
73.02818	1.0
80.02573	1.2
81.03341	2.4
83.01275	3.5
83.04912	4.6
84.02042	2.4
85.02837	0.6
90.25235	0.5
91.01801	0.6
91.19589	0.4
92.99709	0.5
93.03366	3.2
94.02876	1.1
95.04919	3.3
96.95909	1.0
97.02861	0.8
97.06506	4.2
107.04924	1.2
108.02081	1.0
109.06512	1.4
111.08079	1.9
118.94121	1.6
121.02869	52.8
122.02449	0.5
122.03165	3.0
123.08077	1.3
124.03948	3.5
125.02357	0.7
125.09650	8.4
126.09945	0.5
132.93846	0.4
134.03671	1.2
135.08081	1.7
136.01593	0.8
136.98759	0.6
137.02367	0.8
137.06030	0.6
137.09705	0.6
139.03932	0.5
139.46878	0.5
145.10156	2.6
147.08055	0.6
147.11719	2.8
149.09723	0.8
151.04050	0.5
151.11223	22.2
152.11569	1.9
153.09189	0.8
153.12788	3.0
154.13046	0.5
161.02382	0.8
161.09662	1.2
163.11232	9.4
164.11577	0.7
165.01930	0.6
165.05489	0.8
165.09157	1.1
165.12796	17.6
166.13130	1.5
167.10709	1.1
173.09633	2.8
177.09180	0.6
179.03508	0.9
179.10730	6.6
181.12302	44.3
182.12624	3.3
191.10739	17.0
192.11064	1.7
194.02159	1.1
194.05861	1.0
207.47679	0.5
209.00865	0.8
209.04555	9.1
209.11813	100.0
209.94873	2.4
210.04942	0.9
210.12166	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	209.1182
Annotation	(R)-(+)-Patulolide B
Peak:m/z	Relative Intensity
56.95065	0.4
59.01263	2.8
61.32504	0.4
61.98717	8.1
69.03314	0.4
71.01263	0.6
71.04932	0.4
83.01269	0.7
89.02308	0.4
89.03173	0.3
91.01778	0.6
92.99718	0.4
93.03339	1.0
94.02894	0.7
96.95900	1.1
107.42866	0.4
118.94100	1.5
120.02054	0.5
121.02872	41.9
122.03165	2.6
124.03947	1.6
125.09654	0.5
135.04472	0.6
136.01508	0.5
137.02367	0.7
161.02345	0.6
163.11229	0.5
165.01866	0.4
165.05481	0.4
165.09180	0.5
165.12775	0.5
177.41373	0.4
179.03465	1.1
181.12302	0.9
191.10783	0.9
194.02148	1.1
194.05867	0.6
209.04552	7.3
209.11818	100.0
209.94899	2.5
210.04971	0.6
210.12148	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	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
55.01765	2.4
57.03337	1.5
59.01262	1.2
61.86681	0.2
61.98716	2.1
65.22200	0.2
66.49335	0.2
69.03336	0.8
71.01277	0.5
71.04906	0.7
71.33278	0.2
71.56063	0.3
74.85223	0.2
74.87148	0.2
80.02559	0.8
81.02892	0.3
81.03347	3.6
83.01273	25.1
83.04910	3.4
84.01605	0.8
84.02017	0.9
85.02843	0.2
88.47674	0.2
91.01756	0.3
91.24520	0.2
93.03363	1.0
94.02853	0.4
95.04927	1.8
96.95873	0.2
97.02846	0.5
97.06483	3.8
99.00800	0.5
106.04132	0.2
107.04941	0.2
108.02045	0.2
109.02866	0.2
109.06483	0.4
110.03596	0.2
111.08066	0.7
118.94097	0.5
120.02104	0.4
121.02872	19.1
122.02411	0.2
122.03104	0.9
123.08073	1.7
124.03973	1.0
125.05987	0.5
125.09637	21.7
126.09995	1.2
133.82330	0.2
134.03699	0.2
135.04416	0.3
135.08076	1.7
136.01628	0.3
137.02347	0.2
137.06015	0.2
142.02621	0.2
145.10211	0.2
147.11726	0.7
149.09619	0.2
151.11195	0.2
161.09648	0.3
163.11229	8.7
164.11545	0.8
164.94020	0.3
165.01886	0.2
165.05539	0.2
165.09074	0.4
165.12794	3.3
166.13152	0.3
166.94147	0.3
167.10699	0.8
173.09671	0.5
179.03407	0.4
181.12340	1.5
191.10751	6.8
192.11066	0.7
194.02161	0.3
194.05870	0.4
209.04576	3.2
209.11810	100.0
209.94952	0.9
210.04990	0.2
210.12151	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	209.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03703	0.6
57.03346	3.2
59.00995	0.9
59.01263	10.4
69.03345	21.7
69.58461	0.7
69.99792	0.7
70.03652	0.9
71.01267	0.8
71.04536	1.7
71.04906	3.2
83.04931	2.3
93.03341	1.6
95.04908	1.7
102.48734	0.6
108.05717	1.8
109.06487	1.9
111.08080	4.5
111.55804	0.7
121.02879	8.7
121.10128	1.6
127.07574	1.3
135.08101	1.6
137.09631	1.0
139.07607	2.1
147.11757	1.3
153.09152	6.2
163.11203	2.6
165.09175	4.2
165.12804	19.4
166.13158	2.2
173.09624	1.1
177.57748	0.6
181.12306	23.9
182.12651	1.9
191.10759	30.3
192.11147	3.2
209.11823	100.0
210.12164	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	209.1182
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
57.03337	2.1
59.01263	100.0
60.01608	1.3
66.73976	0.5
68.57902	0.5
69.29742	5.4
81.03339	1.1
83.04882	0.5
94.02845	0.5
97.06504	1.8
98.19832	0.9
107.55643	0.5
109.06493	2.7
118.38254	0.6
121.02865	14.4
122.03209	1.0
165.12793	3.9
194.05908	0.7
209.04524	2.2
209.11804	26.2
210.12126	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51648	0.2
57.86903	0.3
59.01257	0.7
59.23631	0.3
67.74773	0.2
71.33537	0.6
71.33887	0.3
72.75003	0.2
72.76125	0.2
80.02562	2.0
81.03358	1.8
83.04915	8.4
93.03363	0.3
95.04919	1.4
97.06471	0.3
109.06516	0.6
121.02861	5.6
122.03250	0.3
124.03909	0.2
125.06023	1.2
135.08067	0.9
163.11238	6.6
164.11569	0.6
165.12808	4.5
166.13182	0.5
181.12311	1.7
181.70903	0.3
183.06760	0.3
191.10783	1.7
191.18504	0.2
195.80217	0.3
208.26230	0.3
209.11813	100.0
210.12158	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	209.1183
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
57.03302	0.3
59.01270	2.2
65.01327	0.3
65.99750	0.3
69.03368	0.2
71.01268	0.4
72.99189	0.3
74.70308	0.2
80.02564	2.5
81.03356	1.8
82.04023	0.3
83.01278	0.4
83.02401	0.3
83.04916	7.8
84.05234	0.3
86.90844	0.2
91.02896	0.3
93.03317	0.6
94.02901	0.4
95.04923	1.2
97.06460	0.6
98.20592	0.4
100.03815	0.2
109.03989	0.3
109.06493	0.5
121.02873	16.2
122.03237	0.9
122.06009	0.2
124.03952	0.8
125.05993	1.0
135.04480	0.5
135.08095	0.8
137.02411	0.3
137.06010	0.4
147.11723	0.4
156.05582	0.5
163.11227	6.3
164.11578	0.6
165.01883	0.3
165.05551	0.4
165.09085	0.4
165.12807	3.7
173.09647	0.3
179.03485	0.5
181.12344	1.4
182.04765	0.3
183.06743	0.9
187.18958	0.2
191.10721	1.8
194.02177	0.5
194.05890	0.5
209.04547	3.0
209.11819	100.0
210.07845	1.0
210.12160	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06104	0.7
57.03331	3.6
58.88548	0.8
59.01268	8.6
69.03342	19.5
71.01249	1.5
71.04913	3.5
71.05339	1.7
76.83714	0.9
77.26983	0.8
83.04912	3.0
93.03337	2.1
95.04913	1.6
97.06481	1.4
109.06503	1.9
111.08070	3.8
118.29661	1.1
121.02876	19.7
121.10099	2.1
127.07580	1.1
135.08073	1.3
147.11716	2.2
149.04478	0.8
153.09140	6.8
162.10722	0.8
163.11221	3.4
165.09178	3.5
165.12814	17.5
166.13174	1.8
173.09708	1.7
181.12300	20.4
182.12669	2.0
191.10754	24.3
191.12418	1.8
192.11134	2.2
200.51944	0.9
209.04578	3.4
209.11824	100.0
210.12186	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	209.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88257	0.2
59.01262	1.5
65.01318	0.5
65.21623	0.3
65.99767	0.3
69.24303	2.9
76.33043	0.3
80.02570	2.3
81.03354	1.8
83.04414	0.4
83.04913	8.2
85.09347	0.3
93.03364	0.3
94.02865	0.3
95.04921	1.2
97.06503	0.4
109.06499	0.5
113.05921	0.2
121.02879	15.6
121.06473	0.3
122.03210	0.9
124.03962	0.9
125.03448	0.3
125.05993	1.0
128.38129	0.2
130.04050	0.4
132.69406	0.3
135.08087	1.3
137.02481	0.3
147.11674	0.3
156.05611	0.5
163.11243	6.6
164.11569	0.6
165.05482	0.4
165.09149	0.3
165.12788	4.1
166.13025	0.3
176.56715	0.2
179.03352	0.3
181.05188	0.4
181.12314	1.0
181.16792	0.2
183.06761	1.0
191.07138	0.3
191.10757	1.8
194.02074	0.4
194.05817	0.4
198.35425	0.3
209.04546	2.2
209.11821	100.0
210.07828	0.9
210.12172	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	206.0821
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
57.03316	1.7
58.02861	63.5
58.17871	1.0
59.01262	25.9
59.03182	1.1
65.01349	1.2
65.99742	1.4
70.02864	12.3
71.01259	3.5
72.00785	4.9
75.00755	2.8
80.15076	0.8
83.02396	1.5
85.02818	2.2
91.01776	1.5
91.05436	5.5
93.03358	1.4
99.00803	1.4
107.02367	1.0
108.02093	2.1
116.00609	1.0
121.02869	2.3
122.03600	1.3
123.04418	1.3
124.01517	1.0
129.01839	4.8
134.02365	0.8
134.03532	2.1
135.04448	68.6
136.01561	0.9
136.05103	1.6
137.03461	0.8
146.03647	1.6
147.02959	3.8
147.04449	32.8
148.05096	3.0
149.02390	1.9
150.03148	1.2
151.03917	2.9
160.01538	1.1
160.07701	0.8
161.04674	1.0
162.03136	2.8
162.09177	1.4
163.03938	7.5
164.04742	5.3
164.07115	100.0
165.07494	6.6
173.96695	0.9
174.03169	5.4
177.01883	11.2
177.05482	2.3
179.07045	1.2
189.05534	1.2
192.04253	30.9
206.08194	48.8
206.99207	0.9
207.03040	2.3
207.05000	1.5
207.06590	15.8
207.08545	5.4
207.10324	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	207.051
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60107	5.4
55.42911	6.0
56.18946	5.2
58.61607	5.2
59.01266	100.0
61.98709	9.1
64.83629	6.0
67.50974	6.1
69.76389	33.0
71.01260	8.3
75.00762	28.1
80.75163	5.6
80.96410	6.3
89.02377	6.5
96.95898	40.7
99.00816	7.1
113.67988	4.9
118.09032	5.4
129.01863	20.0
135.02910	72.3
135.04442	5.8
135.20253	6.2
136.93890	8.4
147.02907	7.0
149.02394	9.1
163.00322	6.0
177.01907	54.7
182.22214	5.4
182.48578	5.5
192.04274	50.3
207.02979	6.2
207.06706	18.1
207.10284	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	206.082
Annotation	2-acetamido-4-methylphenyl acetate
Peak:m/z	Relative Intensity
58.02860	36.6
59.01262	16.4
60.62010	0.6
65.99743	0.9
67.02927	0.6
70.02865	13.9
70.94250	0.6
71.01282	2.3
71.55122	1.0
72.00788	6.9
72.99214	1.0
75.00788	1.7
82.04022	1.2
85.02840	1.2
87.00768	0.7
91.01813	0.7
91.02921	0.6
91.05408	5.7
92.05798	0.8
93.03391	1.0
99.65671	0.6
106.67200	0.5
109.03998	0.9
119.02461	0.6
119.04929	0.9
121.02879	1.9
121.03907	0.7
122.03546	0.9
129.01865	3.4
133.04008	0.7
135.04448	19.4
136.05087	1.0
137.03554	0.8
147.02998	2.4
147.04445	38.9
148.04860	2.5
149.02361	1.7
149.05539	0.8
152.04584	0.7
161.04581	0.7
162.03043	0.7
162.09178	2.0
163.00319	0.8
163.03983	1.8
164.07112	100.0
165.07465	8.9
174.03177	1.8
177.01906	6.5
179.03427	0.6
181.43893	0.6
192.00462	0.5
192.04239	10.0
195.29369	0.5
206.08186	43.1
207.04959	0.9
207.06569	4.9
207.08540	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	205.1596
Annotation	(E,E)-4,4,8-Trimethyl-2,8-cycloundecadien-1-one
Peak:m/z	Relative Intensity
59.01265	2.3
61.98707	0.3
68.99693	0.1
69.32030	1.0
71.01274	0.7
71.34855	0.1
72.99197	0.4
73.02840	0.2
75.00760	0.3
85.02834	0.5
86.75716	0.1
87.00770	0.4
93.03381	0.1
99.00763	0.3
101.78769	0.1
106.88710	0.1
111.00784	0.1
115.00272	0.7
127.00323	0.2
127.03918	0.2
133.02875	0.2
142.99849	0.1
145.01364	0.1
161.02379	0.4
161.06012	0.2
162.89270	0.3
164.07091	0.2
177.01901	0.2
189.12837	1.6
190.02736	0.1
190.13086	0.2
205.01399	0.3
205.05054	0.5
205.15958	100.0
206.16299	11.7
206.18411	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	205.0352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01757	6.4
56.44328	2.2
59.01265	71.9
64.10189	2.2
66.70114	2.5
67.83289	2.7
68.99711	9.5
71.01270	86.1
71.34509	5.1
72.01568	2.7
72.99190	49.1
73.02843	11.4
75.00763	36.6
76.01160	2.4
83.01285	16.3
84.99207	2.3
85.02834	5.7
87.00774	51.7
88.98621	2.4
89.02359	2.7
96.99230	7.5
99.00772	38.0
100.98728	3.4
101.02355	8.8
103.00279	8.0
111.00808	15.3
112.98745	8.9
115.00284	100.0
117.01870	12.3
124.98736	15.0
125.02352	3.1
127.00296	10.5
129.01863	17.0
130.99777	19.6
142.99800	23.0
143.44640	2.5
144.00529	6.1
145.01360	33.9
154.99832	18.3
157.01366	4.1
173.00882	3.3
175.02437	9.3
205.03484	5.3
205.15921	4.7
206.04282	9.3
208.10780	2.8
218.01575	2.8
219.54378	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	205.0352
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01778	8.0
57.03328	6.5
58.00471	3.0
58.02856	7.4
58.20651	1.4
59.01263	100.0
60.01617	2.5
60.99189	4.2
67.01755	2.8
68.99703	12.9
70.71307	4.8
71.01267	98.3
72.01572	2.0
72.72340	1.4
72.99194	48.7
73.02832	12.5
75.00765	42.7
83.01272	15.5
84.99198	3.5
85.02825	8.5
87.00768	58.4
88.98702	5.5
89.02321	11.7
89.90804	1.4
96.99224	8.2
99.00777	48.0
99.04427	3.6
100.01089	2.1
100.98699	4.4
101.02352	10.9
101.47961	1.4
103.00272	10.1
111.00780	25.5
112.98715	57.3
115.00280	97.9
115.03942	2.0
116.00578	2.4
117.01849	19.0
118.03233	7.0
124.98717	15.9
125.02360	10.0
127.00300	9.0
129.01866	23.8
130.99774	28.2
142.99788	29.0
143.03406	2.1
143.07030	2.2
144.00536	6.5
145.01352	44.4
145.05000	4.1
154.99796	14.8
157.01320	9.8
159.02937	1.8
173.00879	8.3
175.02434	12.4
179.41362	1.6
187.02478	3.4
187.06139	2.1
205.03517	13.0
205.07133	5.4
205.09103	4.7
206.04350	12.0
206.07297	1.7
206.42311	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	200.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01252	5.3
69.83430	3.1
69.83830	7.7
70.02859	3.3
71.01266	3.3
72.99185	3.4
75.00769	2.2
76.92057	1.7
84.04435	3.2
85.02850	1.9
85.65566	1.8
87.67390	1.7
88.03924	4.9
94.02862	1.8
95.04915	4.7
98.02385	8.5
100.19982	1.7
110.02382	19.9
110.06040	3.2
111.04448	3.0
112.03922	4.4
112.07594	5.9
124.03935	3.2
126.05522	5.1
136.03960	4.2
138.05565	13.9
139.11255	2.1
149.25568	1.5
154.05028	21.0
154.27347	1.7
155.03430	6.2
156.06578	18.4
172.06108	2.1
173.06107	1.6
182.02962	2.1
182.04549	30.5
182.72037	1.6
183.04912	2.1
200.05620	100.0
200.13754	2.5
201.03993	4.3
201.05843	8.4
201.11317	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	201.0768
Annotation	7-Hydroxy-10-deoxyeucommiol
Peak:m/z	Relative Intensity
57.03334	0.8
57.69112	0.9
59.01263	100.0
60.01594	1.5
61.98699	1.2
65.01324	1.4
65.99712	1.4
71.54906	1.0
73.02825	11.1
75.00770	1.0
79.94980	0.8
87.00760	1.2
87.04420	0.9
91.87212	0.8
93.53941	0.8
95.04944	0.9
97.06499	4.8
100.03797	0.9
104.85725	1.0
106.03997	0.9
109.03948	0.9
133.03972	1.5
133.05006	1.1
134.03481	1.0
135.61891	0.9
139.07555	2.8
139.11198	2.1
141.05544	2.0
148.05135	1.0
157.08649	25.5
158.05977	1.2
159.03093	1.2
175.06282	1.3
183.06525	1.0
201.03912	1.3
201.05688	1.4
201.07660	8.1
201.11311	5.1
218.32239	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	197.1181
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
59.01279	0.8
69.03357	2.4
69.56360	1.3
69.56784	1.8
83.04924	0.8
113.30801	0.4
123.08078	0.6
124.40922	0.4
141.09076	0.4
151.11214	0.9
153.09172	1.2
153.12772	5.0
160.84161	2.1
162.83865	5.5
168.45045	0.5
169.12289	17.1
170.12633	1.3
179.10712	1.4
197.11810	100.0
197.80811	3.9
198.12146	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	199.1337
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
57.20553	0.3
59.01260	1.6
60.47771	0.3
61.98713	0.9
64.68233	0.4
65.01334	0.5
65.99768	0.3
69.03333	0.4
69.28401	4.1
71.01279	0.6
71.04939	0.4
73.02829	0.4
73.06391	0.4
81.03359	0.4
83.01267	0.5
85.02849	0.7
99.00765	1.1
99.08056	0.5
106.04067	0.5
130.04053	0.7
131.03526	0.5
137.09692	0.6
155.10707	1.6
157.05063	0.7
162.83853	2.3
163.11215	0.6
163.83723	0.4
163.92091	0.5
164.83566	3.0
169.12321	4.5
172.05049	0.6
181.12300	19.1
182.12666	1.6
197.11830	1.3
199.13379	100.0
199.80568	2.0
200.13733	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	193.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65219	0.7
55.01770	2.2
56.31074	0.9
57.03338	5.0
58.00468	2.9
59.01263	62.2
65.99720	0.9
67.01763	2.0
68.99699	1.9
69.03358	4.4
69.82901	4.7
71.01267	62.3
72.01572	1.3
72.99196	100.0
73.02832	27.8
73.99550	1.0
74.03174	0.9
74.35855	0.8
75.00761	13.8
83.01270	6.4
85.02843	48.2
86.03155	2.1
86.06348	0.9
87.00777	10.6
89.01210	1.0
89.02334	22.5
95.01284	8.2
97.02866	2.3
98.20538	1.2
99.00777	10.4
101.02348	39.2
102.02647	1.8
103.00277	54.5
104.00571	1.5
108.02118	0.9
111.00774	3.2
113.02354	51.7
114.02682	2.5
115.00296	2.8
117.01814	0.9
123.00755	1.5
123.04430	1.1
125.02333	3.0
127.00307	1.4
129.01871	5.1
131.03415	9.1
133.01347	4.0
134.03650	3.1
139.00282	1.3
141.01831	2.4
147.02917	0.9
149.06015	1.6
150.94673	2.4
155.03401	2.2
157.01364	3.5
158.84615	15.8
161.04489	9.8
162.04785	1.3
163.02449	1.3
175.02405	3.1
175.06009	1.0
178.02660	6.3
193.03535	14.4
193.05093	2.2
193.07159	6.4
193.81532	7.8
194.00836	1.3
194.03989	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	197.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
54.90698	0.4
57.03349	0.8
59.01275	2.2
60.99192	1.1
61.98723	1.5
65.01331	1.0
69.03342	1.7
70.35169	0.4
71.04915	0.6
71.54990	0.8
71.88517	0.4
82.97339	0.4
83.04923	1.3
89.04626	0.4
95.01289	1.2
96.95943	0.8
97.06474	0.8
109.02859	0.9
111.04436	1.0
112.01604	1.3
116.92783	1.2
118.66651	0.4
120.05624	0.5
121.02904	0.9
123.00785	3.6
123.04390	0.8
123.08096	0.5
123.92882	0.5
125.09594	1.0
126.90416	1.1
129.04491	0.5
137.02380	0.7
138.03146	1.3
141.01926	0.5
144.05635	0.7
151.11191	1.6
153.01854	0.5
153.05530	1.3
153.09177	2.1
153.12776	11.9
154.13124	0.5
156.05533	0.8
157.05136	0.7
158.05855	0.5
160.84155	26.4
161.84195	2.1
162.83855	68.4
166.99796	4.6
169.12277	11.6
170.12576	0.7
171.06689	1.9
171.13872	2.6
179.10760	1.6
180.88611	0.4
182.02176	7.9
183.02769	0.8
196.81062	0.5
196.91370	0.7
197.04544	3.3
197.08185	2.5
197.11801	100.0
197.80763	40.7
198.04077	0.8
198.07835	0.7
198.12140	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	193.0351
Annotation	3-Deoxy-arabino-hexaric acid
Peak:m/z	Relative Intensity
50.65219	0.7
55.01770	2.2
56.31074	0.9
57.03338	5.0
58.00468	2.9
59.01263	62.2
65.99720	0.9
67.01763	2.0
68.99699	1.9
69.03358	4.4
69.82901	4.7
71.01267	62.3
72.01572	1.3
72.99196	100.0
73.02832	27.8
73.99550	1.0
74.03174	0.9
74.35855	0.8
75.00761	13.8
83.01270	6.4
85.02843	48.2
86.03155	2.1
86.06348	0.9
87.00777	10.6
89.01210	1.0
89.02334	22.5
95.01284	8.2
97.02866	2.3
98.20538	1.2
99.00777	10.4
101.02348	39.2
102.02647	1.8
103.00277	54.5
104.00571	1.5
108.02118	0.9
111.00774	3.2
113.02354	51.7
114.02682	2.5
115.00296	2.8
117.01814	0.9
123.00755	1.5
123.04430	1.1
125.02333	3.0
127.00307	1.4
129.01871	5.1
131.03415	9.1
133.01347	4.0
134.03650	3.1
139.00282	1.3
141.01831	2.4
147.02917	0.9
149.06015	1.6
150.94673	2.4
155.03401	2.2
157.01364	3.5
158.84615	15.8
161.04489	9.8
162.04785	1.3
163.02449	1.3
175.02405	3.1
175.06009	1.0
178.02660	6.3
193.03535	14.4
193.05093	2.2
193.07159	6.4
193.81532	7.8
194.00836	1.3
194.03989	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	191.0194
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
57.03335	5.0
59.01258	2.5
67.01785	1.0
71.01261	0.8
71.06602	0.4
72.99191	0.2
73.02820	0.3
83.01258	0.3
85.02841	28.3
86.03184	0.7
87.00768	41.4
88.01093	1.1
92.30936	0.2
93.03375	0.4
99.00771	0.2
101.02375	1.0
103.03902	0.5
111.00787	100.0
112.01122	4.2
112.98713	0.5
119.04906	0.6
121.02838	0.4
122.39708	0.2
127.03956	0.2
129.01857	7.7
129.03354	0.4
130.99765	1.0
131.03404	0.3
135.04428	0.6
147.02914	0.7
147.04433	2.1
154.99814	0.8
163.03909	0.5
166.25381	0.2
173.00873	2.0
176.01057	0.4
191.01942	15.2
191.03462	0.7
191.05539	4.1
191.07149	0.4
192.02275	0.8
192.05807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0347
Annotation	Pisonin F
Peak:m/z	Relative Intensity
51.11097	0.3
53.37523	0.3
57.03320	1.3
58.00502	0.3
58.75103	0.3
59.01262	13.2
67.01771	0.7
68.99710	0.4
69.03332	0.5
71.01271	1.8
72.99186	0.7
73.02824	1.3
77.03851	0.3
78.47208	0.3
81.03350	0.4
83.01276	0.4
83.04892	0.7
84.02068	0.5
85.02839	17.2
86.03162	0.6
87.00227	0.6
87.00771	10.8
91.01797	0.4
91.05442	0.5
93.03368	3.8
99.00782	0.3
99.04418	0.8
101.02371	0.7
104.02599	0.6
105.04433	0.4
107.04929	0.5
108.02071	0.7
109.02855	1.1
109.47052	0.3
111.00784	21.1
111.04380	0.8
112.01124	1.0
113.02377	0.3
117.03356	0.5
118.99266	0.5
119.04943	3.3
120.95716	0.3
121.02867	100.0
122.03194	5.8
123.46471	0.3
127.03944	1.8
129.01865	1.2
129.03439	0.5
131.03426	1.1
134.03674	1.0
135.04440	9.5
137.02429	0.4
145.02869	1.4
147.00801	0.9
147.04446	9.0
147.08141	0.4
148.01561	0.4
148.05092	0.8
149.02438	0.4
161.02390	0.5
163.00287	0.5
163.03955	7.6
164.04486	0.9
164.10178	0.3
165.01677	0.3
171.02972	0.7
173.00935	0.7
173.02385	0.9
173.04510	0.9
175.49593	0.3
176.01109	3.4
177.01526	0.4
190.99889	0.7
191.01915	2.8
191.03513	18.0
191.05591	52.7
191.10651	0.8
192.03940	1.7
192.05959	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	191.0195
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
50.41372	0.5
57.03337	5.4
58.99882	0.6
59.01260	1.6
67.01768	2.2
70.96630	1.2
70.96982	0.9
71.01266	2.9
72.99191	0.6
73.02835	1.1
84.19438	0.6
85.02837	21.6
86.03155	0.8
87.00770	42.0
88.01108	1.4
99.00744	1.4
101.02333	1.3
111.00784	100.0
112.01118	2.7
112.98734	3.0
117.01867	0.8
129.01855	9.7
130.99771	0.9
147.02950	0.8
173.00844	2.6
184.94347	0.6
191.01929	16.8
191.05573	4.0
192.02235	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	191.0195
Annotation	2-Dehydro-3-deoxy-D-glucarate
Peak:m/z	Relative Intensity
52.38089	0.6
55.15247	0.6
55.67699	0.5
56.76432	0.5
57.03340	7.0
59.01265	5.6
59.07392	0.5
60.42630	0.6
67.01785	3.2
67.45206	0.6
71.01265	6.7
71.33419	1.2
72.99177	0.8
73.00482	0.5
73.02831	1.4
83.01263	0.8
84.97664	0.5
85.02844	31.0
86.03176	1.4
87.00771	55.9
88.01118	1.6
89.02348	0.8
93.03377	1.3
99.00790	2.1
101.02354	1.7
103.39691	0.5
111.00791	100.0
112.01133	4.3
112.98721	10.0
113.99053	0.6
117.01843	1.2
127.03899	0.6
129.01865	7.0
130.99811	0.8
135.04451	4.7
147.02901	0.7
147.04501	1.4
150.42776	0.6
163.04016	1.0
167.20515	0.5
170.51332	0.6
173.00879	2.4
176.01140	0.9
190.94261	0.7
191.01962	14.2
191.03583	1.2
191.05577	13.3
191.07341	0.6
192.02351	0.6
192.04201	1.0
192.05954	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0974
Annotation	Nonanedioic acid
Peak:m/z	Relative Intensity
51.18246	0.3
51.19113	0.3
55.97000	0.3
57.03342	3.8
59.01259	1.2
61.98725	0.3
65.01337	1.4
65.46097	0.2
65.99747	0.8
69.03337	0.7
70.96342	0.7
71.01277	0.4
73.02831	0.5
80.02580	0.5
83.04930	0.8
86.38360	0.3
91.02923	0.5
95.04904	0.7
97.06496	12.0
98.06818	0.5
105.04453	0.3
106.02903	0.3
106.22539	0.2
107.02469	0.3
116.02477	0.3
118.04079	0.7
119.02457	0.5
120.05660	0.3
122.03503	0.3
123.08081	6.8
124.08400	0.4
124.93475	0.2
125.09644	100.0
126.09969	7.1
132.05634	0.3
133.04016	1.0
133.05014	0.3
134.03583	0.5
143.10742	1.9
144.04399	0.3
145.02826	0.4
145.05115	0.7
146.03589	0.6
147.03131	0.3
160.05110	2.6
161.04579	0.6
169.08653	2.3
172.07147	0.3
187.06281	2.2
187.09727	52.1
188.10075	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	187.0245
Annotation	2-Methyl-trans-aconitate
Peak:m/z	Relative Intensity
53.00192	2.9
55.01774	17.3
57.03343	6.9
58.02864	6.2
59.01263	21.0
61.75930	1.4
65.00210	3.7
67.01776	3.2
68.99704	21.3
71.01270	100.0
71.04924	2.9
71.54362	2.1
72.00800	2.2
72.99193	7.5
73.02841	4.6
75.00774	8.5
78.95788	4.4
80.99727	1.7
82.02871	1.8
83.01281	22.6
83.04933	3.2
85.02843	8.9
87.00787	2.8
88.03864	1.5
89.02340	12.6
92.00501	1.6
96.04420	2.3
96.99211	8.5
97.06494	6.9
98.00024	3.8
98.02381	18.7
99.00780	90.3
99.04388	7.9
100.01105	3.2
100.07587	9.5
100.98722	1.5
101.02345	8.8
102.05508	13.2
103.00282	1.8
108.04470	1.9
110.89822	2.1
111.00795	12.4
112.04004	2.5
112.89520	1.5
112.98705	1.7
113.02357	2.8
114.05520	20.4
114.09180	12.1
115.03915	4.6
116.03442	1.9
116.07083	9.6
117.01849	4.5
123.08120	2.3
124.03908	1.9
124.98726	5.2
125.02379	17.4
125.03339	3.1
125.05984	2.3
125.09640	43.0
125.99509	6.4
126.05540	3.5
126.10051	2.4
127.00288	35.9
128.01105	1.8
128.03442	13.3
129.01843	11.0
131.03461	2.5
136.98738	4.1
142.05037	20.8
142.08661	24.0
142.99789	15.3
143.03427	3.3
143.07056	3.8
144.02956	3.6
144.04524	4.5
144.06618	16.2
144.10165	1.6
145.01399	3.7
146.08173	2.5
154.94618	2.5
154.99780	11.0
157.01352	13.0
159.02953	3.1
159.04367	1.9
160.03792	2.3
160.05084	2.4
169.01404	12.3
170.02008	1.6
170.04587	3.5
187.02454	37.3
187.03925	4.3
187.06110	6.2
187.09656	30.4
187.13399	2.1
188.03229	6.4
188.05641	16.8
188.09218	32.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1387
Annotation	11-Undecanolactone
Peak:m/z	Relative Intensity
50.65908	0.3
52.75435	0.3
57.03334	0.3
59.01255	1.6
65.01336	0.6
69.26741	1.4
69.27167	2.0
76.92021	0.3
81.03367	0.3
85.02838	0.3
94.11420	0.3
95.01271	0.6
97.02847	0.6
109.02839	0.4
111.00819	0.7
111.08044	0.4
112.03979	0.4
112.98435	0.6
115.02953	0.4
121.06477	0.5
123.04401	0.3
124.01579	0.5
124.03954	0.6
124.98709	0.4
125.02412	0.4
127.23457	0.3
130.04054	0.4
139.00284	0.6
139.03944	0.3
139.07608	0.5
139.11168	0.9
140.07060	0.4
152.98235	0.6
156.05605	0.9
157.05148	1.5
167.20346	0.3
168.00638	1.6
176.99493	0.3
183.00499	0.8
183.02968	1.7
183.06682	1.8
183.10480	3.9
183.13869	100.0
184.06186	0.9
184.14214	10.4
184.15878	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.9505
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01265	6.1
61.90002	0.8
70.26246	1.7
70.26646	1.1
71.01270	4.4
72.99222	1.2
73.02838	0.8
73.92859	0.7
75.00055	0.7
78.95789	1.0
82.49261	0.8
83.01270	1.4
85.02851	2.7
87.00770	12.9
89.02354	2.2
95.01304	1.0
96.95892	1.9
97.02855	1.3
99.00784	4.3
100.72794	0.8
101.02367	1.7
101.71740	0.7
117.01850	2.2
119.93753	0.8
125.02341	1.1
134.96010	11.8
135.04417	0.7
135.08072	0.8
135.96156	1.2
136.93942	100.0
137.94009	11.0
141.01923	0.9
151.92665	12.1
152.92723	1.4
161.04527	7.6
164.01057	1.2
178.95032	45.8
179.03326	1.0
179.05615	8.8
179.07033	1.1
179.45740	0.8
179.95145	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	183.0044
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
50.00230	0.3
51.02264	0.2
52.36261	0.2
54.12407	0.3
54.22323	0.3
57.03338	0.3
59.01267	2.0
64.01814	0.3
65.00211	0.6
65.01324	0.8
65.99741	0.5
67.01780	1.7
68.01299	0.4
68.99724	0.5
69.03336	1.3
69.49226	2.0
69.49635	0.4
71.01239	0.3
75.89531	0.3
84.02045	0.4
84.04449	0.3
89.01312	0.5
90.00909	0.3
95.01286	9.1
95.04867	0.3
96.01612	0.5
97.02847	0.7
97.03966	0.3
97.06479	0.3
97.25917	0.3
98.02408	0.6
99.00735	0.3
109.01603	1.2
111.00798	0.4
111.04420	0.3
111.08115	0.4
112.03931	0.6
112.98486	0.6
115.02927	0.6
116.02483	0.4
123.00798	21.2
123.08015	0.3
124.01131	1.2
124.03930	0.5
124.98669	0.3
125.01114	1.8
130.04010	0.9
136.00307	0.3
137.01128	0.6
137.09631	0.3
139.07611	0.7
139.11255	1.2
142.04013	0.6
143.04842	0.6
144.04347	0.5
149.13278	0.2
153.00618	18.8
154.00940	0.8
155.03543	0.4
156.05611	2.3
157.03981	0.5
157.05104	3.1
168.00627	1.3
175.03648	0.3
181.90645	0.3
183.00441	100.0
183.06653	2.4
183.10220	4.1
183.13806	0.6
184.00818	5.5
184.06201	1.2
184.10646	0.4
203.96255	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	173.0815
Annotation	Dimethoxane
Peak:m/z	Relative Intensity
56.58824	0.4
57.03342	0.8
58.99406	0.5
59.01264	100.0
60.01606	1.6
60.99191	1.8
65.01332	1.3
67.01778	6.3
69.03345	2.0
69.57726	2.2
69.58144	1.1
71.01279	1.5
72.99203	1.1
73.02851	1.4
75.10851	0.4
75.44855	0.4
83.04939	0.5
85.02861	0.6
85.06482	17.7
86.06808	1.0
88.76934	0.4
93.03356	26.0
94.03712	1.2
99.00805	0.6
105.65466	0.4
109.10319	0.4
111.04426	3.4
111.08068	0.9
113.05994	23.2
114.06327	1.2
118.04068	0.5
119.02429	0.8
131.07065	98.5
132.07414	5.3
146.03517	1.4
155.03477	0.6
173.04568	4.5
173.08197	1.3
173.11716	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0973
Annotation	L-Cladinose
Peak:m/z	Relative Intensity
50.00249	0.9
52.80840	0.9
56.61206	0.9
57.03312	1.4
59.01044	0.9
59.01261	11.1
60.42724	0.9
65.01332	8.4
65.99731	5.7
67.02905	1.0
68.01295	2.3
68.99686	1.2
69.03349	1.9
69.61319	7.5
71.01273	12.5
72.50351	1.1
72.99207	3.0
73.02832	2.7
75.00757	3.0
82.03993	1.0
83.01269	1.4
83.04917	2.0
85.02846	27.3
85.06485	28.5
87.00771	7.7
91.02913	5.0
92.02444	3.2
93.03337	1.6
95.01277	1.6
98.20599	1.3
99.00787	1.2
101.05979	22.5
103.37463	1.0
104.02510	2.0
105.03352	1.1
105.04446	2.6
106.04016	6.0
107.02436	2.0
113.05997	56.7
114.06322	3.1
115.00316	6.6
115.03915	3.4
115.91929	1.0
116.71320	1.0
118.04015	2.0
120.01955	1.2
120.05546	1.1
121.03998	3.5
122.02449	1.1
122.03501	1.4
124.98717	1.3
127.00266	1.9
129.05505	40.3
129.09145	3.0
130.04041	1.1
130.05832	1.4
131.03462	2.3
131.04942	1.5
131.07069	34.7
132.05608	1.9
132.07436	1.9
133.04012	2.7
133.05127	3.4
134.03546	5.6
136.01581	2.8
142.99707	1.1
145.05052	2.1
147.04427	1.9
147.06679	1.1
148.01485	3.6
148.05078	8.6
149.03516	3.1
157.05078	2.9
160.01492	1.4
174.88954	1.9
175.02457	3.6
175.03986	5.7
175.06287	11.0
175.09715	100.0
176.01218	2.0
176.03409	4.4
176.04724	2.5
176.10005	7.4
189.51892	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	173.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03322	0.6
59.01263	100.0
60.01599	1.6
60.99213	0.6
65.01356	0.6
67.01772	4.5
69.03347	1.1
71.01272	1.0
71.42458	0.9
77.98474	0.5
85.06480	18.2
86.06812	0.7
86.98454	0.4
93.03352	15.1
94.03694	0.8
99.00762	0.6
99.04427	0.5
108.01957	0.6
109.91169	0.5
111.04414	1.6
111.08063	1.2
113.05992	22.8
114.06326	1.1
121.76685	0.5
126.62041	0.6
131.07060	94.5
132.07370	5.2
144.80450	0.5
145.48264	0.5
146.03552	0.5
173.04550	2.5
173.08119	0.9
184.44945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26308	0.6
53.00198	1.2
55.01771	3.4
57.03338	5.7
58.02862	4.7
59.01264	7.6
60.99193	4.7
67.01777	30.2
68.02110	1.1
68.99702	4.3
69.03342	5.5
69.83675	3.5
71.01270	78.5
71.04926	0.7
72.01605	2.1
72.99194	12.2
73.02831	9.2
75.00766	2.3
81.03346	2.0
83.01285	8.4
83.04906	3.7
84.40226	0.6
85.02850	8.8
85.06461	0.7
85.21750	0.7
86.06049	1.0
87.00784	4.5
88.33138	0.7
93.03358	100.0
94.03702	5.4
96.99215	2.3
99.00780	21.7
99.04447	1.5
100.01095	0.8
100.07588	4.5
100.98695	1.1
101.02371	2.9
101.07873	0.7
109.02856	1.6
111.00788	13.8
111.04434	12.5
111.08062	4.4
112.04803	0.8
112.98722	10.7
115.00281	5.5
124.98726	13.3
128.07101	8.7
129.01875	3.0
131.03674	1.2
132.06577	2.0
137.02359	1.6
140.98209	0.7
142.99802	29.0
144.00114	1.6
145.01355	1.2
145.02892	1.1
154.99767	1.7
155.03459	1.4
173.00919	9.8
173.04509	11.1
173.08154	3.2
173.11774	1.9
174.01740	1.2
174.07672	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	172.0975
Annotation	N-Acetyl-L-isoleucine
Peak:m/z	Relative Intensity
57.03328	1.1
58.02858	2.5
59.01257	2.3
60.99188	2.2
65.01336	1.4
65.03854	0.4
65.99741	1.0
67.01775	14.7
69.03337	3.2
70.48148	0.6
70.48535	0.6
71.00890	0.5
71.01266	4.9
72.99197	1.2
73.02828	2.3
75.00787	0.5
81.03335	0.9
83.04920	2.1
85.02863	1.1
87.00757	0.3
89.01333	0.4
91.02917	0.4
93.03356	62.5
97.02856	0.3
98.20288	0.5
99.00774	2.1
99.04417	0.8
101.02335	0.5
106.04015	0.8
109.02871	0.7
109.03941	0.3
111.00791	0.7
111.04426	8.5
111.08051	2.0
114.73524	0.3
115.00292	0.8
115.03911	0.3
116.02377	0.3
118.04025	0.9
119.02416	1.0
123.00797	0.3
128.10724	5.5
128.11653	0.4
129.01913	0.5
129.11105	0.3
130.04025	0.9
130.08661	100.0
131.09018	5.7
132.05661	0.4
137.02359	1.0
143.03535	0.7
144.04465	1.5
145.02856	0.8
145.03978	0.5
145.05093	1.1
146.03563	2.4
155.03419	0.9
172.03914	1.1
172.06252	1.4
172.09727	19.2
173.01024	0.5
173.02296	0.8
173.04549	10.7
173.08139	1.1
173.10059	1.5
173.11803	1.0
183.80244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0087
Annotation	L-dehydro-ascorbate
Peak:m/z	Relative Intensity
53.00196	2.5
55.01767	8.4
57.03329	4.4
58.02866	6.1
58.57804	0.7
59.01257	9.4
67.01778	9.0
68.99706	3.3
69.03329	1.3
71.01268	100.0
71.04979	1.2
72.01599	2.6
72.99196	8.8
73.02831	7.1
75.00754	0.9
79.84518	0.7
80.99718	1.7
83.01273	11.8
83.04899	0.7
84.01635	0.7
85.02841	20.4
85.17279	0.7
86.03178	0.8
86.06008	2.5
87.00775	8.1
93.03347	15.0
96.99225	4.6
99.00774	31.4
100.07594	7.6
101.02348	1.8
102.76578	0.7
111.00787	15.7
111.04431	2.7
111.08037	0.7
112.98714	45.5
113.99058	2.0
115.00274	6.0
123.17285	0.7
124.98729	26.8
125.99049	1.0
128.07092	15.7
129.01855	3.9
132.06589	2.6
140.98218	2.7
142.99792	64.8
144.00142	2.9
145.01340	0.8
154.99863	1.2
155.03389	0.9
156.88205	0.8
173.00868	9.3
173.04475	1.9
173.09296	0.7
174.01393	0.8
174.07671	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	172.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50317	0.4
55.44357	0.3
57.03331	1.6
57.32223	0.3
58.02855	1.9
59.01263	2.6
60.99181	2.6
65.01328	1.7
65.99722	0.7
67.01771	16.8
69.03345	3.2
69.50478	2.0
69.50887	0.8
71.01262	5.5
71.01619	0.5
72.99203	1.8
73.02829	2.6
75.00779	0.5
77.01320	0.4
81.03352	1.2
82.06497	0.7
83.01273	0.5
83.04919	1.8
84.02046	0.3
85.02839	1.2
87.00747	0.5
89.01328	0.4
90.00871	0.4
91.02918	0.4
93.03354	65.0
98.20074	1.3
99.00794	2.3
99.04414	0.7
102.00864	0.6
105.04449	0.4
106.04028	0.5
109.02866	0.8
111.00774	1.0
111.04425	8.9
111.08054	2.1
112.98683	0.6
115.00300	0.9
115.91925	0.4
116.02445	0.4
118.04019	0.4
119.02448	1.7
120.05575	0.4
128.10732	2.2
129.01828	0.9
129.05542	0.4
129.09196	0.3
130.08656	100.0
131.03506	0.7
131.09016	4.8
133.02794	0.4
137.02357	1.5
140.00926	0.5
142.99774	0.7
143.03523	0.6
144.04446	1.3
145.01433	0.5
145.02823	1.0
145.04012	0.8
145.05090	1.1
146.03520	2.7
146.04562	0.6
155.03415	1.2
172.03816	0.5
172.05028	0.4
172.06226	0.9
172.09700	14.2
173.02330	0.6
173.04535	11.5
173.06013	0.6
173.08116	2.2
173.10034	1.1
173.11667	0.8
183.92554	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1022
Annotation	CHEBI:68949
Peak:m/z	Relative Intensity
55.01756	0.5
57.03313	0.5
58.02856	0.6
59.01268	2.1
65.01337	3.6
65.99701	0.4
66.00858	0.4
68.99696	0.5
71.01250	0.5
71.07973	0.8
71.08345	0.5
78.95741	0.5
81.03342	0.4
81.04475	0.7
89.01349	2.6
95.41064	0.3
98.19793	0.4
99.00752	0.5
99.08041	1.0
105.04477	1.2
106.04025	1.0
109.02864	0.7
109.04023	0.4
109.06466	0.5
111.00803	0.5
115.92004	0.6
118.04017	0.8
120.05609	0.4
125.09638	2.3
127.00296	0.5
127.07591	2.6
127.11198	5.9
128.11543	0.5
129.03168	0.4
129.04517	0.5
130.04041	2.9
130.08665	0.7
131.03522	0.6
144.01947	1.1
144.04477	1.0
144.05591	4.7
145.03979	1.1
145.05141	1.4
153.09155	1.5
171.01875	2.4
171.06877	6.7
171.10220	100.0
172.03903	0.5
172.04990	0.5
172.06303	1.9
172.10561	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	170.0819
Annotation	Amphorogynine D
Peak:m/z	Relative Intensity
55.79329	1.5
57.03337	52.4
58.02853	10.4
58.03678	1.7
59.01266	100.0
59.57283	1.4
60.01594	2.5
65.01325	10.5
65.99762	1.4
66.03391	1.6
68.99681	1.6
70.90506	4.1
71.01289	1.6
71.04903	3.4
80.04935	3.5
81.03348	1.6
81.04473	2.2
83.01296	1.4
83.04893	2.6
85.06480	1.6
89.01357	6.7
90.00858	1.6
98.02352	2.0
99.00783	1.5
99.04453	1.4
100.03926	1.5
102.00937	2.1
105.04502	5.0
106.04053	1.6
106.06532	2.4
108.08100	34.3
109.02876	3.5
109.06509	2.9
109.08440	3.1
110.06014	5.5
111.04444	3.9
112.00323	10.4
112.03890	1.8
114.91288	1.3
116.02453	2.8
124.07612	15.9
125.09635	2.5
126.05582	1.3
126.09177	26.5
127.00327	1.6
127.03940	1.6
127.07596	7.0
127.09562	1.7
127.11226	4.9
128.07097	4.9
129.05542	1.7
130.02791	1.7
130.04018	4.7
143.03561	9.4
143.04639	2.5
144.01979	2.1
144.05591	13.1
152.07106	7.6
170.04639	7.0
170.08199	56.1
170.09592	3.1
171.01842	8.9
171.04335	1.8
171.06740	22.3
171.08734	3.0
171.10201	44.4
171.13866	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	168.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.40462	0.3
58.02862	100.0
59.01265	0.7
59.03188	2.1
59.50481	0.3
68.99719	0.7
69.03330	0.6
69.77193	0.3
69.77966	2.1
70.02872	0.6
74.94563	0.3
81.03355	0.3
83.80046	0.3
87.00775	0.6
97.02891	0.9
99.00776	0.4
99.05549	0.4
107.04935	0.5
124.04813	0.5
125.02364	7.4
125.03257	0.5
125.06019	0.7
125.09735	0.7
132.86723	0.8
139.25531	0.3
151.11252	0.5
153.01495	0.8
153.99040	0.6
157.51196	0.4
168.13879	7.9
169.01398	3.6
169.05096	0.8
169.12326	0.6
169.14221	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1073
Annotation	(1alpha,4alpha,7S*)-5-methylethyl)-2,3-dioxabicyclo[2.2.2]oct-5-ene
Peak:m/z	Relative Intensity
52.57812	0.3
52.61615	0.4
58.02860	0.7
59.01263	0.8
63.21900	0.4
67.01763	0.6
67.02910	0.5
67.60461	0.4
68.99725	0.5
69.03326	0.6
69.77742	2.7
81.03343	0.8
81.04491	0.5
82.02876	0.8
82.04000	1.4
83.01277	0.9
83.02431	0.6
85.03964	0.8
87.00775	0.4
88.19929	0.4
91.01801	1.2
93.03374	0.6
95.01283	2.4
95.04935	1.3
96.04452	0.5
97.02856	1.0
97.03989	0.8
98.02431	0.4
98.19825	0.7
99.05558	1.3
102.17736	0.3
108.01372	0.8
108.02079	12.1
108.04400	0.6
109.02885	0.7
111.00797	1.1
111.04458	0.5
121.02868	0.6
123.00799	1.8
123.04440	11.0
123.08089	0.9
124.01579	1.6
124.03938	0.5
124.05016	0.8
125.02356	1.8
125.03488	1.4
125.04531	0.5
126.02979	0.5
132.03302	0.4
132.86719	0.4
137.02357	0.5
139.03960	1.8
140.02464	1.0
141.06625	1.0
152.01091	24.4
153.01529	1.9
159.83104	0.4
164.68213	0.4
167.03462	15.9
167.07181	2.2
167.10727	100.0
168.04076	0.5
168.06622	0.5
168.11127	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	165.0552
Annotation	3-(3-Hydroxyphenyl)propanoic acid
Peak:m/z	Relative Intensity
55.38338	0.5
55.63211	0.5
58.02851	1.3
59.01254	2.1
65.01337	2.6
65.99722	2.2
66.00858	0.7
66.03374	0.5
67.01768	0.6
67.02895	1.7
68.01308	1.2
68.99709	0.6
69.30978	5.6
71.01273	1.8
72.99197	30.7
73.02818	0.6
73.99542	1.0
75.00756	0.9
77.01352	0.7
77.03868	2.0
81.03351	0.6
81.04476	1.9
82.02885	0.7
82.03999	4.2
83.02397	1.6
84.04458	0.9
87.00771	0.7
89.02370	0.8
91.05402	0.9
92.02441	0.6
92.99691	1.1
93.03365	4.1
94.02901	0.9
95.01250	0.6
95.02416	3.5
96.00786	0.9
97.03963	4.3
98.02377	1.1
98.19839	1.1
101.02331	0.8
101.03889	1.6
107.33079	0.5
108.01970	0.9
108.04488	0.9
109.02866	1.8
109.03961	2.5
110.02390	0.9
111.00758	0.7
111.01873	0.7
117.03349	0.7
119.04942	36.8
120.01955	0.6
120.05259	3.4
121.02872	31.9
121.06467	1.2
122.02433	1.0
122.03442	3.0
123.00820	0.9
123.01900	1.7
123.03082	1.4
123.04513	0.8
123.05515	0.9
124.04083	0.7
124.05066	3.7
125.03506	1.0
135.04405	0.6
136.01547	0.8
136.05113	0.9
137.02393	4.6
137.03384	0.9
137.06035	0.8
138.01900	1.0
138.03000	1.9
138.05603	0.9
138.06639	0.9
139.01456	0.6
139.05052	2.0
147.04451	100.0
148.01491	0.7
148.03726	0.8
148.04802	9.4
150.03162	3.8
151.00308	2.0
164.89551	1.0
165.01869	6.7
165.04265	1.3
165.05521	39.2
165.07748	1.1
165.09172	2.1
166.01372	1.1
166.02638	1.0
166.06160	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	165.04
Annotation	L-Ribonic acid
Peak:m/z	Relative Intensity
51.76132	1.1
55.01764	3.5
57.03336	1.1
59.01263	10.1
66.00854	2.0
69.63420	6.7
69.63828	2.7
70.97435	1.1
71.01272	11.5
72.99205	10.2
73.02831	3.7
75.00762	100.0
76.01110	2.0
80.92909	1.2
85.02850	1.9
87.00770	85.5
88.01101	1.8
89.02342	4.3
93.03363	4.4
99.00777	10.0
101.02357	3.6
105.01843	69.0
106.02180	1.4
108.04464	3.4
117.01852	3.7
119.03451	2.0
121.02875	11.4
122.77021	1.2
129.01875	9.6
135.02934	2.8
137.02382	1.4
138.05530	4.8
147.02922	10.3
157.61647	1.1
164.83548	7.1
165.04005	83.1
165.05324	3.6
166.01691	2.1
166.04234	2.8
182.50438	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	164.0712
Annotation	phenylalanine
Peak:m/z	Relative Intensity
59.01273	0.7
64.39469	0.4
70.06609	1.6
71.01250	0.7
72.00794	38.2
73.01146	0.8
89.02339	0.5
91.05430	1.3
92.04953	0.6
93.03363	1.1
103.05472	0.5
118.06544	0.5
119.04934	1.7
120.04484	0.5
120.05299	1.3
121.02869	5.9
122.03667	0.5
124.52103	0.4
136.03932	0.6
137.02382	1.1
146.06090	0.5
147.04451	100.0
148.04787	8.3
150.03169	1.1
164.00800	0.7
164.07115	52.0
165.01852	1.5
165.05507	1.4
165.07475	5.0
170.87761	0.4
175.23964	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0397
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
54.95233	0.3
59.01262	1.1
59.52958	0.3
65.01333	0.5
65.99748	0.5
66.00837	0.2
70.04751	1.1
71.01273	0.4
82.04011	0.4
91.01779	0.4
91.05428	7.9
92.05775	0.4
93.03366	1.6
101.27773	0.3
111.97887	0.3
117.03391	0.3
119.04946	100.0
120.04459	0.4
120.05267	6.7
121.05106	1.2
122.03542	0.6
135.00693	0.3
135.04463	1.4
136.05141	0.6
137.03474	0.4
163.00296	1.4
163.02538	0.4
163.03957	7.3
163.06131	0.8
164.04468	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.045
Annotation	2-Deoxyribonic acid
Peak:m/z	Relative Intensity
54.98802	1.1
59.01265	100.0
65.01344	3.7
65.99751	3.0
67.02892	3.0
69.44250	7.7
69.44653	2.4
71.01268	3.4
73.02840	1.3
77.03876	1.5
79.01693	1.3
81.04465	2.7
89.02330	6.9
93.03368	3.4
95.01309	1.3
106.04036	9.0
107.02458	2.2
108.02016	1.7
108.05591	3.1
109.03986	3.4
121.02880	16.8
122.03529	2.2
123.01900	3.2
123.45696	1.3
149.01292	1.5
149.02391	8.7
149.03389	1.4
149.04654	6.5
149.05969	6.7
149.07111	1.6
150.00102	2.6
150.03036	3.0
150.06654	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	157.0502
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
57.03343	1.0
58.02883	0.7
59.01260	4.2
61.98290	0.6
65.01324	2.2
68.99718	1.7
69.28420	0.6
69.35365	0.5
69.78672	1.0
69.79076	2.9
71.01272	1.5
71.45009	0.5
71.61702	0.5
77.81519	0.5
85.02828	1.1
87.00782	2.0
88.02676	0.6
89.01363	1.5
95.04928	0.9
99.00775	2.0
100.25719	0.7
101.02339	0.7
103.53719	0.6
106.04021	0.8
113.05992	100.0
113.09586	1.4
114.06329	5.8
115.00296	1.8
118.50661	0.7
124.23965	0.8
124.98746	0.7
127.00283	4.4
130.04037	5.6
131.03555	1.9
157.01413	1.9
157.03835	1.3
157.05060	15.9
157.08617	4.9
157.12279	2.3
158.03529	1.6
158.08058	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	149.045
Annotation	L-ribulose
Peak:m/z	Relative Intensity
56.50497	1.9
59.01266	19.8
59.59761	1.5
71.01270	34.3
71.57487	2.5
72.99192	28.5
73.02831	24.2
75.00763	26.9
78.23867	1.8
85.78236	1.6
87.00771	46.0
87.03234	2.0
89.02334	100.0
90.02660	2.9
101.02348	2.2
103.00268	4.7
103.03922	10.9
105.01837	2.9
121.02872	5.2
122.73295	1.6
131.03372	8.4
149.00874	23.4
149.02132	3.5
149.02327	2.9
149.04494	56.3
149.05948	6.8
150.04784	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	147.0294
Annotation	2-Dehydro-3-deoxy-L-arabinonate
Peak:m/z	Relative Intensity
57.03332	9.7
58.00474	6.5
59.01268	96.6
60.01614	4.0
65.99749	4.7
68.99709	9.5
69.48439	28.8
71.01275	100.0
72.99207	43.8
73.02847	13.9
75.00766	65.0
79.00414	3.0
83.01272	10.9
84.00759	4.8
85.02836	26.7
87.00781	24.9
89.02325	14.7
98.19768	5.0
99.00780	34.1
101.02345	9.6
103.00282	26.5
108.36774	3.0
111.00771	6.6
117.01879	13.7
119.04893	3.2
120.00848	5.2
120.06591	3.9
129.01843	14.0
146.86607	16.1
146.99403	5.0
147.01917	7.0
147.02946	18.7
147.04463	12.7
147.06543	4.3
148.05063	3.6
157.95784	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	145.0864
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.00225	1.3
53.70591	0.4
57.00632	0.4
57.03320	0.7
59.01257	1.1
64.01807	1.1
64.36770	0.4
64.53759	0.5
65.01337	4.7
65.99732	2.5
66.00857	1.2
71.01261	0.9
71.04929	0.6
71.58893	0.9
72.99193	0.8
73.02815	0.8
76.01814	0.8
77.01355	3.8
81.03345	0.9
81.04474	1.4
83.04916	1.9
85.02841	0.5
87.00769	0.8
89.01350	1.1
90.00848	1.1
91.02924	3.1
92.01367	0.7
92.02433	1.1
97.06512	1.5
99.08057	100.0
100.03947	0.5
100.08379	6.8
101.05964	3.1
102.03420	0.5
103.01660	1.4
103.02950	0.8
104.02456	0.6
105.03224	1.5
105.04472	1.8
106.01682	0.7
115.00261	0.6
116.02465	1.5
117.01984	0.8
117.03354	0.7
118.02907	3.6
118.04026	18.0
118.04879	1.0
119.02419	8.4
119.03345	0.8
119.03508	0.7
119.04291	1.0
127.07564	1.1
130.02759	0.6
143.07108	1.1
144.01923	1.2
144.96472	0.5
145.01506	1.8
145.02834	4.1
145.03975	2.1
145.05095	12.5
145.08647	51.3
145.99886	0.5
146.02408	12.9
146.03548	8.0
146.04639	1.0
146.05524	0.7
146.07185	2.6
146.08937	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	145.0137
Annotation	5-Hydroxy-2,4-dioxopentanoate
Peak:m/z	Relative Intensity
55.01754	6.6
56.58054	2.1
57.03335	21.2
59.01260	19.4
62.00538	2.3
62.03230	2.0
62.96730	2.5
71.01269	54.2
71.53888	3.1
72.93053	2.0
72.99197	12.9
73.02840	20.0
74.02386	2.5
74.39706	2.3
75.99081	2.1
83.01278	20.8
83.04927	3.8
85.65742	2.0
87.00777	33.5
94.66598	2.5
98.26607	2.4
99.00787	10.5
101.02345	100.0
101.05905	3.3
102.02694	4.7
102.05507	39.6
112.98679	3.6
115.00272	45.1
116.03387	2.6
127.00297	15.4
127.05067	2.3
128.03476	19.5
144.86787	2.8
145.00331	3.8
145.01366	29.6
146.02481	3.5
146.04504	8.9
158.37335	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	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00208	19.2
57.16243	2.4
59.01255	5.8
60.03644	2.3
68.99693	3.2
70.16359	8.9
71.01263	32.7
72.99210	2.9
77.07244	2.1
87.00776	8.8
96.99210	13.2
112.98724	20.2
115.00269	4.8
124.98722	45.5
140.98203	7.5
142.99789	100.0
144.00122	6.3
144.04465	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	144.0449
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
50.00230	0.2
58.02844	0.2
58.11348	0.2
59.01259	0.4
64.01801	0.5
65.01335	1.3
65.99738	0.8
66.00867	0.2
70.30704	0.2
70.41590	0.6
71.01276	0.3
73.02826	0.2
77.01337	0.7
83.01273	0.2
83.04916	0.9
83.31566	0.2
86.02346	0.2
87.00759	0.3
89.01335	0.8
90.00889	0.5
91.02912	0.6
99.00748	0.2
99.04392	0.2
99.08038	0.8
101.05950	1.1
103.02911	0.2
104.02435	0.4
105.03192	0.4
113.47078	0.2
116.02480	1.0
116.04982	1.6
117.00897	0.4
117.01987	0.4
117.03368	0.5
117.04491	0.4
118.02887	0.3
118.03030	0.3
118.04026	5.6
126.03412	0.8
129.01953	0.2
129.03278	0.2
142.02966	0.4
143.03534	0.7
143.04703	0.2
144.02200	2.3
144.04485	100.0
144.05399	3.7
145.01485	0.6
145.02827	0.6
145.04886	11.4
145.08655	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00205	13.7
55.01752	4.2
55.50436	2.4
57.03326	5.3
58.02874	3.4
59.01266	16.1
65.61790	2.6
68.99699	5.3
69.03336	8.5
70.04749	15.1
71.01267	68.1
71.04902	2.9
72.99210	5.9
80.99718	6.0
81.03340	4.4
82.91656	2.8
83.01264	11.0
83.04907	3.4
85.02844	19.5
87.00783	18.1
96.58777	2.5
96.99213	16.2
97.02849	4.2
99.00790	4.8
99.04429	4.4
100.07627	4.2
102.05489	4.3
112.98707	21.5
115.00281	6.8
116.02446	3.1
124.98725	54.2
125.02366	7.9
125.99049	3.3
140.98230	9.8
142.99796	100.0
143.03499	22.1
143.07033	3.5
143.10690	18.3
144.00108	8.3
144.02019	3.6
144.04517	18.1
144.06532	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	138.0191
Annotation	4-Nitrophenol
Peak:m/z	Relative Intensity
50.88471	0.3
55.01767	0.6
59.40350	0.3
63.62671	0.3
67.01773	1.2
67.02895	0.5
71.36072	0.7
74.67013	0.3
76.75003	0.3
83.01283	0.6
93.03344	0.7
94.03706	1.7
95.01297	0.5
95.04948	0.4
96.04472	0.3
96.05580	0.7
97.03975	0.7
108.02080	49.7
109.02409	3.3
111.00785	3.9
111.01944	0.3
130.44763	0.3
138.01900	100.0
138.20183	0.3
139.00414	1.9
139.02263	6.4
139.03923	0.8
139.04988	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0445
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
55.93234	0.8
56.51863	0.7
59.01263	3.3
64.01801	0.8
65.01345	4.5
65.99744	2.8
66.00858	1.7
66.03365	0.8
67.02900	2.8
71.01265	7.1
73.02821	5.1
75.00767	1.9
81.03343	2.1
85.02839	16.8
86.03193	0.9
88.72668	0.6
89.02349	1.3
91.05428	6.7
92.02455	2.2
92.04979	1.6
93.02802	1.3
93.03329	4.6
93.04508	1.8
94.02877	1.9
95.02431	1.9
96.03177	3.3
98.19798	1.8
99.92480	1.0
101.02366	2.6
103.03903	1.4
106.04045	7.1
107.02429	1.0
107.04924	7.0
108.02036	4.8
108.04472	1.7
109.03987	5.2
118.04039	2.2
120.65791	0.8
121.02728	0.8
123.04525	0.8
129.22136	0.7
134.03670	9.0
134.86504	3.0
134.89394	14.1
135.01892	2.1
135.04454	100.0
135.06441	3.7
135.89410	1.6
136.00636	0.7
136.01509	3.6
136.03915	1.6
136.04956	12.2
154.52208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96331	0.5
59.01257	9.1
65.01334	0.9
65.99742	1.5
69.79876	3.6
71.01269	7.0
72.99194	16.4
73.02820	2.7
75.00760	100.0
76.01101	1.7
77.01406	0.5
79.52596	0.6
80.96403	1.7
81.03348	1.0
85.02840	8.5
87.00766	1.8
89.02335	10.2
92.04913	0.5
93.03356	2.2
95.95120	1.7
99.92507	0.9
101.02348	1.0
103.03925	0.9
105.20940	0.6
106.04039	1.2
107.04949	2.6
108.02077	1.5
109.03984	0.9
117.01846	1.7
134.03682	0.9
134.89397	13.1
134.91521	3.6
135.02011	1.1
135.02913	31.9
135.04439	16.3
135.06595	1.3
135.89430	1.1
135.97017	9.1
136.01523	2.1
136.03149	1.2
136.04878	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	133.05
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90205	1.2
59.01252	5.4
63.40708	1.3
65.01343	6.4
65.99731	1.4
69.43629	1.2
70.42904	4.8
71.01271	100.0
72.01617	3.3
72.99203	13.6
73.02832	1.5
75.00762	4.4
87.00233	2.1
87.00769	37.8
87.04415	9.6
88.01111	2.0
89.02329	16.1
91.02893	2.0
92.02434	7.4
106.03999	3.1
107.02415	4.6
107.03532	22.9
115.00285	27.2
130.90326	1.3
133.01353	6.9
133.04991	61.7
134.02480	2.5
134.03564	9.9
134.04625	82.9
150.69571	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	133.05
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.0
57.58369	0.7
59.01260	2.6
59.93707	0.7
65.01320	2.1
65.74818	0.7
69.03284	0.8
70.71792	1.6
70.72168	1.7
71.01269	57.3
72.01603	2.1
72.99198	11.6
73.02855	0.8
75.00756	2.9
85.02840	1.1
87.00231	1.3
87.00769	23.6
87.04402	7.1
89.02336	9.2
89.02855	1.2
91.82427	0.8
92.02432	4.9
106.03971	1.3
107.02402	1.6
107.03545	24.0
115.00286	34.9
116.00625	1.8
125.27846	0.7
133.01363	8.6
133.04192	1.4
133.04991	41.5
134.04639	100.0
140.98045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.05
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03336	2.0
57.58369	0.7
59.01260	2.6
59.93707	0.7
65.01320	2.1
65.74818	0.7
69.03284	0.8
70.71792	1.6
70.72168	1.7
71.01269	57.3
72.01603	2.1
72.99198	11.6
73.02855	0.8
75.00756	2.9
85.02840	1.1
87.00231	1.3
87.00769	23.6
87.04402	7.1
89.02336	9.2
89.02855	1.2
91.82427	0.8
92.02432	4.9
106.03971	1.3
107.02402	1.6
107.03545	24.0
115.00286	34.9
116.00625	1.8
125.27846	0.7
133.01363	8.6
133.04192	1.4
133.04991	41.5
134.04639	100.0
140.98045	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98877	0.8
64.64643	0.8
69.71780	4.9
69.72189	2.1
71.01267	75.3
72.01604	2.3
72.99197	14.9
75.38509	0.8
78.18900	0.9
87.00766	7.3
87.04423	0.9
89.02328	9.0
115.00282	100.0
116.00592	4.2
132.86697	1.0
133.01353	28.9
133.04994	9.6
134.04642	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	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93676	0.3
53.18618	0.3
57.03327	0.8
59.01258	2.3
59.98400	0.4
60.23781	0.3
62.93016	0.3
69.88863	1.5
71.01266	78.7
72.01598	2.6
72.99198	13.4
73.99505	0.4
75.00783	0.4
85.02850	0.4
87.00768	14.7
87.04402	2.7
88.01107	0.6
89.02334	12.1
90.02621	0.4
105.77966	0.3
107.03502	0.4
115.00282	100.0
116.00620	4.3
132.86719	0.3
133.01353	27.6
133.04993	22.2
134.01701	1.3
134.03531	0.8
134.04626	1.6
134.05472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03341	0.8
59.01237	0.7
62.03379	0.5
65.01337	2.8
67.02898	1.5
69.03343	9.9
71.01273	1.4
71.14671	1.2
71.30765	0.5
73.02840	4.3
74.96267	0.5
75.00744	0.5
77.01337	1.2
85.02842	1.7
85.06480	100.0
86.06799	5.4
87.04411	1.1
89.01344	1.3
90.00874	0.9
91.02921	2.7
98.20371	0.6
105.04488	1.1
113.05984	2.0
129.05493	1.5
131.03552	13.7
131.04387	1.0
131.07062	50.9
132.03903	0.8
132.05602	1.8
132.07391	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	133.0136
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03315	0.8
59.01254	2.3
64.98442	0.7
70.75097	1.0
70.75447	2.5
71.01271	72.7
72.01626	2.3
72.99203	14.5
79.02835	0.8
87.00770	7.0
87.04421	1.5
89.02338	8.6
105.39633	0.7
115.00288	100.0
116.00627	4.5
118.01624	0.8
121.12360	0.9
132.89453	0.8
133.01360	28.4
133.04999	11.6
134.01569	1.0
134.04616	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	130.0867
Annotation	L-Alloisoleucine
Peak:m/z	Relative Intensity
57.03334	1.2
59.01258	1.9
65.01346	1.2
69.03365	1.4
71.01270	5.6
71.56744	1.8
73.02833	9.3
85.02846	5.3
85.06464	1.4
87.04408	4.6
88.03939	1.4
101.04478	0.9
113.02427	1.1
130.04015	2.2
130.08661	100.0
131.03497	6.2
131.09004	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	131.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64811	0.8
65.01326	4.3
67.02888	1.9
68.28648	1.1
69.03343	10.1
69.58309	6.8
71.01283	2.1
73.02830	5.0
81.08606	0.8
84.41833	0.7
85.02846	1.9
85.06480	100.0
86.06811	4.6
87.04403	2.5
89.01366	4.7
89.75887	0.8
91.02884	4.1
98.19888	1.2
105.04448	1.5
113.05969	3.1
113.41876	1.0
129.05492	1.4
131.03551	13.8
131.04404	1.3
131.07066	51.9
132.05600	2.4
132.07410	3.2
139.55890	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	117.0186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01756	0.5
59.01257	1.0
63.60545	0.4
71.01282	0.8
71.37335	0.9
73.02834	100.0
74.03159	3.3
98.08887	0.4
99.00773	8.9
99.01358	0.7
99.92458	0.7
116.92797	2.8
117.01850	19.2
118.02185	0.7
118.02933	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01758	13.8
57.03337	52.9
59.01258	5.0
65.01325	3.5
67.01777	100.0
68.02109	3.8
68.99709	32.5
69.00070	4.8
71.01270	14.2
71.31493	6.5
72.99194	12.4
73.02833	9.5
83.01279	8.9
83.04919	3.3
85.02845	26.1
85.06422	3.0
87.00785	6.3
88.03933	11.0
89.99553	2.7
92.25719	2.8
99.00785	10.3
101.02363	7.1
111.00798	5.7
129.01854	42.8
129.05516	9.8
130.04042	43.1
130.08658	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1153.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03276	0.4
83.01270	1.8
86.06845	0.2
89.02259	0.4
91.87694	0.2
96.95837	0.5
107.01176	5.3
123.04275	0.9
124.01529	0.4
125.02364	7.1
151.00313	17.4
152.00560	0.3
159.04291	0.5
160.05095	0.6
161.02403	4.5
165.01703	0.8
167.03462	2.2
169.01250	0.4
169.06175	0.3
172.05121	1.1
173.05922	0.5
173.33333	0.2
174.03114	0.3
174.06621	0.3
175.00204	0.3
175.03947	1.9
183.04301	1.1
185.05865	0.7
186.06693	0.7
187.03838	1.0
188.04620	0.6
189.01834	0.4
193.01353	0.4
196.05087	0.8
197.05853	0.8
198.02988	0.8
198.04745	0.3
199.03769	0.8
200.04637	1.1
201.08844	0.4
202.05991	0.3
203.03429	0.3
210.06657	0.6
211.03825	1.0
212.04582	0.5
213.05493	0.5
214.02522	0.4
215.03381	0.5
221.05902	0.5
223.03810	0.4
224.04755	1.8
225.05261	0.5
225.10857	0.3
226.02573	0.6
227.03346	1.1
233.05975	0.4
235.07549	0.4
237.05392	1.1
238.06194	1.0
239.03317	0.5
240.04227	1.7
241.04851	0.7
242.02087	0.4
243.02760	0.4
248.04613	0.4
249.05441	0.8
250.06427	0.3
251.03264	0.4
251.07086	0.3
253.05208	1.4
255.03061	1.7
256.03641	0.3
261.05643	1.9
263.03366	1.5
263.07001	0.3
264.04358	1.4
265.04858	1.0
266.05780	0.6
267.02826	0.5
267.06244	0.4
272.03098	1.0
277.05106	1.6
277.21582	0.8
278.05692	0.5
279.06555	0.8
280.03531	0.8
280.56894	0.3
281.04425	0.9
281.11923	0.5
281.14938	0.5
283.02359	1.6
283.05594	0.5
283.13248	0.6
284.03308	2.9
285.03763	0.4
289.04910	0.3
290.05701	0.5
291.06613	0.4
293.04483	0.6
294.05212	0.3
296.03162	0.4
297.14792	0.8
305.04639	4.0
306.05392	1.9
307.06213	1.5
307.13312	1.1
308.03342	6.1
309.04095	8.4
310.04266	0.6
311.12997	0.3
321.04044	0.5
322.04822	3.2
323.05682	2.8
323.12933	0.5
325.14557	5.9
333.04123	1.4
334.04785	1.7
335.05688	1.3
336.06042	0.4
341.13846	0.3
343.15540	1.6
347.05563	0.5
349.14496	1.6
351.05606	1.6
351.12454	6.3
352.05704	1.2
352.12552	0.6
354.03833	2.0
366.03540	0.5
367.15393	0.6
369.13501	3.6
373.14145	0.4
389.13791	0.4
391.15652	1.4
405.12915	0.4
407.15033	0.4
409.16537	0.7
415.15372	0.4
433.12976	12.5
434.13132	1.0
436.93314	0.3
443.16919	0.3
446.08389	0.6
451.13965	5.7
452.14188	0.6
459.14215	1.1
477.15698	17.5
478.15958	1.8
489.15591	0.4
495.16718	7.2
496.17038	0.5
533.17932	0.4
551.19019	0.8
569.20068	1.1
580.32867	0.3
605.22382	1.2
639.21014	1.2
669.23505	0.5
687.23132	1.4
713.24042	0.7
731.25739	4.5
732.25964	0.6
865.43658	0.9
875.29382	0.5
893.30804	2.8
973.46912	0.4
991.47253	36.7
992.47595	5.6
1117.21777	0.3
1153.52551	100.0
1154.52759	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0029
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53700	1.1
58.02863	2.1
59.01260	18.6
63.57166	1.0
65.01323	2.4
70.43082	4.1
71.01269	100.0
71.04908	12.0
72.01617	3.4
72.04459	1.5
72.99194	2.5
73.03955	24.1
74.02358	4.6
75.41042	1.0
87.00770	15.3
89.01336	6.6
89.01803	1.2
97.02827	1.7
98.02348	1.4
115.00283	23.5
115.03935	7.3
115.05039	2.4
115.05817	1.4
116.02459	13.1
116.07077	17.6
124.15321	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	115.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44997	1.1
57.85164	1.3
58.02848	2.1
59.01262	8.0
60.87830	1.0
62.71346	1.2
64.01807	2.4
65.01335	13.5
69.03318	2.0
70.36037	3.0
71.01267	6.8
71.04912	16.4
72.04421	2.5
73.03960	60.9
74.02365	17.2
74.04325	1.2
87.00770	2.5
88.01849	1.3
89.01349	39.0
89.01887	2.4
97.02857	2.3
97.93039	4.5
98.02380	2.2
106.35634	1.1
114.93324	20.8
115.00264	2.3
115.02937	16.4
115.03915	10.1
115.05038	3.3
115.07563	100.0
116.02465	44.1
116.03277	2.6
116.07068	5.5
116.07915	6.5
123.16750	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	1149.4416
Annotation	Unknow
Peak:m/z	Relative Intensity
80.02585	0.3
81.03349	0.8
81.19913	0.2
83.01273	4.6
83.04906	0.9
84.02071	0.4
85.02836	1.8
87.00769	0.6
87.19048	0.2
87.54504	0.2
89.02347	0.6
93.03321	0.2
95.01275	0.8
95.04945	0.3
96.95933	0.2
97.02789	0.2
99.00770	1.9
101.02350	1.2
107.01292	12.4
109.02874	0.4
109.06541	0.2
113.02328	1.5
117.01800	0.2
119.04929	0.3
121.02850	0.4
123.04410	1.4
124.01556	0.7
125.02361	20.6
126.02721	0.4
131.03397	0.2
133.02901	1.1
134.03622	0.3
135.04460	0.4
135.08035	0.2
136.01529	0.3
137.02383	0.7
145.02864	0.4
146.03685	0.2
147.04451	1.0
148.05231	2.0
149.02405	0.4
151.00301	31.2
152.00621	0.9
158.03612	0.3
159.04433	0.4
161.02383	1.6
161.04506	0.3
161.05843	0.2
163.11226	1.2
165.01843	0.9
165.12781	0.6
167.03424	1.4
169.01349	0.8
171.04434	0.3
172.05244	1.7
173.02428	0.2
174.03169	1.1
175.03905	0.3
177.01895	0.4
183.04475	0.5
185.06033	1.1
186.06810	2.5
187.03934	0.5
187.07510	0.3
188.04794	0.6
189.01994	0.2
191.03452	0.6
193.01448	0.3
196.05284	0.5
197.06038	0.3
198.03195	0.3
198.06819	0.3
199.03979	0.3
199.07622	0.5
200.04759	0.7
200.08424	0.3
209.06091	0.4
209.11800	11.2
210.12170	0.5
211.04053	0.5
212.04790	1.5
213.05420	0.3
214.06296	0.3
223.07492	0.2
224.04810	0.2
225.05489	0.6
225.09135	0.2
226.02679	0.3
227.03474	0.6
227.12843	0.5
228.04250	0.6
233.06114	0.3
237.05612	0.3
238.06294	0.5
239.03505	0.3
240.04184	0.7
241.04977	0.2
243.02806	0.3
244.03625	0.3
251.07137	0.3
253.05106	0.3
253.09348	0.5
253.16032	0.4
255.03027	0.6
255.13882	0.9
256.03738	1.0
262.06497	0.3
264.04199	0.2
265.05212	0.4
267.03033	0.2
268.03860	0.3
269.04648	0.3
269.15585	0.5
272.03516	0.2
276.08151	0.3
277.05154	0.2
278.05789	0.2
279.02927	0.3
279.14227	0.4
280.03702	0.4
281.04575	0.3
281.11716	0.2
281.15482	1.1
282.01691	0.3
283.02634	1.2
283.13535	0.4
284.03311	3.6
285.03809	0.4
295.02512	0.8
295.13654	0.2
295.17081	0.4
296.03281	2.1
297.03979	1.1
297.15005	12.9
298.04822	0.7
298.15399	0.8
303.13940	0.3
306.05417	0.5
307.13583	0.3
308.03311	0.6
309.04077	4.5
310.04538	0.6
315.16071	5.9
316.16428	0.3
320.03491	0.5
320.07077	0.2
321.15042	0.8
323.05487	0.3
323.12878	0.7
324.02841	0.7
325.14502	9.2
326.14801	0.9
327.16074	0.4
329.13739	0.2
334.04782	0.4
336.02805	0.4
337.03632	1.1
337.07172	0.3
338.04288	0.7
339.15866	0.9
341.13986	1.3
343.15561	11.8
344.15900	1.0
345.14835	0.4
349.14502	1.6
351.12421	1.0
363.16101	0.6
367.15540	3.1
368.15860	0.2
369.13416	2.4
373.14294	0.5
381.17172	0.7
387.16187	0.5
390.15033	0.2
391.15564	2.1
392.15619	0.3
393.13184	0.4
399.18213	0.6
405.17133	0.7
409.16675	0.3
415.15536	0.6
417.19250	0.6
423.18127	0.3
431.14938	0.4
433.16690	0.8
447.14380	0.3
449.16125	13.3
450.16306	1.3
459.14545	6.4
460.14877	0.6
467.17139	3.6
468.17557	0.3
477.15646	6.9
478.15662	1.1
495.16757	0.8
523.19830	0.3
541.20990	0.4
561.23755	0.5
569.20880	0.3
579.24567	3.0
580.24768	0.4
585.23480	0.8
587.21515	0.8
603.24402	0.9
605.22284	1.1
627.24146	0.4
653.29681	0.3
669.26166	0.3
685.25159	0.3
695.23773	0.6
703.26093	1.9
704.25946	0.3
713.24731	1.9
714.25079	0.5
731.26031	1.1
761.31927	0.7
789.37360	0.7
795.35748	0.5
813.36731	1.7
814.37878	0.3
815.34998	3.1
816.35376	0.8
837.37659	1.1
838.37122	0.4
839.34796	0.3
847.37524	0.4
855.37903	0.3
879.38135	0.6
881.37378	0.4
913.39716	0.5
914.39844	0.2
923.37292	4.0
924.37939	0.8
941.38245	26.3
942.38556	5.0
953.45502	0.3
955.39691	1.2
956.39703	0.4
973.40900	30.2
974.41046	6.0
979.42072	0.8
1037.40906	0.4
1055.44104	1.6
1087.45813	1.7
1088.45984	0.4
1099.39758	0.8
1105.46960	0.3
1117.41492	26.1
1118.41821	6.1
1131.42358	0.9
1149.44116	100.0
1150.44409	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.7141
Annotation	Unknow
Peak:m/z	Relative Intensity
80.04947	0.1
81.03344	2.9
83.01276	5.0
83.04913	7.0
84.43841	0.1
85.02841	1.7
87.00774	0.3
89.02337	1.7
95.01276	0.6
96.95877	0.1
97.02834	0.4
98.20656	0.2
99.00776	0.2
101.02343	13.1
102.02663	0.2
107.06049	0.1
108.04464	0.3
111.00777	0.1
113.02350	5.5
114.02711	0.1
119.03413	1.6
123.57394	0.1
125.02361	0.7
125.07120	0.5
126.05521	0.2
131.03415	1.5
143.03433	1.7
143.08205	0.3
147.02950	0.2
149.02554	0.1
149.04489	3.2
150.03140	0.4
155.03470	0.5
161.04492	5.3
165.05548	0.4
166.05879	0.1
185.66475	0.1
195.06622	0.1
199.18124	0.1
203.05592	0.6
207.15042	0.6
221.06638	2.1
224.17696	1.5
225.16081	11.0
226.16446	0.6
229.48450	0.1
242.18762	0.4
268.16644	0.1
290.22464	0.2
291.20728	0.2
309.21713	0.6
324.26660	0.4
333.22955	0.5
341.29269	0.7
351.24399	0.1
364.05429	0.1
367.22949	0.1
367.27191	1.6
384.13956	0.1
385.28528	0.5
407.34067	0.1
433.31802	1.3
439.50879	0.1
450.34677	1.2
451.32977	9.1
452.33231	1.0
468.35773	0.2
516.39862	0.1
535.38574	0.2
550.43561	1.3
551.43988	0.1
559.39661	0.6
565.44452	0.4
567.46069	0.3
577.41052	0.1
593.44043	0.9
594.44159	0.1
659.48737	3.2
660.49359	0.4
677.49799	100.0
678.50110	12.8
699.41626	0.1
810.31396	0.2
811.30402	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	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10338	1.0
52.01798	1.8
55.01770	8.9
57.03337	29.9
57.26152	1.2
58.02872	10.0
58.03669	1.4
62.34856	1.1
67.01766	1.8
68.01295	3.4
68.99454	55.0
69.03349	13.9
69.57615	3.8
69.58028	5.5
70.02854	1.8
71.01268	6.0
71.02391	20.9
72.00793	14.1
72.99205	6.2
83.01266	6.7
84.02063	14.2
85.02843	100.0
86.02367	8.6
86.03188	3.5
95.01290	3.3
96.00805	13.4
98.19874	2.6
112.98551	1.7
112.99847	1.9
113.01522	1.7
113.02351	39.2
113.03468	7.0
113.05990	46.5
114.00903	2.5
114.01885	10.0
114.02654	2.0
114.05523	9.9
114.06319	3.0
119.85863	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	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01809	1.8
55.01772	7.5
56.66130	1.3
57.03334	31.0
58.02859	8.4
60.90815	1.3
62.03602	1.1
65.65185	1.2
67.01777	2.7
67.05363	1.2
68.01286	2.8
68.99453	48.7
69.03342	14.1
71.01291	6.6
71.02390	19.5
71.88509	1.2
72.00794	17.5
72.99194	4.9
75.68138	1.0
83.01277	7.2
84.02055	15.2
85.02841	100.0
86.02368	7.9
86.03191	3.4
88.26857	1.0
89.89861	1.1
95.01273	2.2
96.00816	11.9
97.93043	1.2
111.59190	1.2
112.98556	2.4
112.99889	2.2
113.02356	35.7
113.03490	7.6
113.05993	92.3
113.79947	1.1
114.01098	1.6
114.01879	9.0
114.02610	1.9
114.05512	9.1
114.06342	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	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01760	7.0
57.03338	24.8
58.02861	9.1
67.01765	3.7
68.01285	3.8
68.99453	39.2
69.03338	11.7
70.91016	5.4
71.01265	7.6
71.02394	22.7
72.00796	17.2
72.99195	5.4
79.79925	1.9
83.01282	4.8
84.02069	11.0
85.02840	100.0
86.02379	14.4
86.03183	4.7
95.01275	2.9
96.00805	16.0
111.21071	2.1
112.99839	2.5
113.02346	37.9
113.03457	9.7
114.00893	3.7
114.01871	10.9
114.05514	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	113.0599
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01759	10.8
57.03344	29.7
58.02845	9.0
68.01289	2.9
68.99451	30.8
69.03350	16.2
69.29374	9.0
69.29800	14.6
71.01260	6.6
71.02395	16.2
72.00800	15.4
72.99201	6.7
83.01279	7.0
83.02406	4.4
84.02052	19.0
85.02841	100.0
86.02369	13.4
86.03178	4.8
95.01270	4.2
96.00803	21.4
98.19776	4.5
112.15999	2.5
113.02360	36.2
113.03479	8.6
113.05994	63.9
114.00883	6.5
114.01863	12.7
114.02618	3.1
114.05524	5.4
114.06313	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	113.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37944	2.1
52.01786	3.8
55.01757	8.3
57.03334	30.8
57.99226	3.4
58.02855	8.2
59.01236	2.5
68.01308	2.9
68.99452	36.0
69.03342	14.8
69.49221	18.5
71.01251	7.2
71.02385	19.2
72.00784	21.4
72.99190	9.3
83.01269	5.4
84.02051	9.5
85.02842	100.0
85.53474	2.2
86.02372	19.2
86.03172	3.0
95.01278	4.5
95.02379	3.7
96.00806	26.4
98.20413	7.5
112.98626	2.4
112.99842	5.3
113.02354	41.8
113.03478	12.7
113.05997	49.1
114.00927	3.0
114.01868	12.6
114.02599	3.4
114.05505	8.0
114.06264	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	954.6145
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	4.0
67.05504	52.6
67.20283	2.1
69.07074	14.2
69.95129	2.2
70.87675	2.2
71.59170	2.5
71.61931	2.2
79.05495	32.1
81.07063	55.6
83.08625	5.5
85.02892	17.1
85.06522	3.1
91.03954	8.7
91.05487	22.9
93.07047	42.8
95.04945	3.7
95.08603	43.1
97.02919	4.8
105.07043	18.4
107.08591	22.0
109.10172	20.9
117.07028	6.0
119.08595	15.0
121.10151	16.9
123.11672	5.2
127.03954	4.8
131.08594	11.9
133.10133	12.4
135.11688	13.6
145.04897	6.5
145.10162	6.0
147.11688	11.0
149.13220	11.8
159.11668	8.8
161.13257	4.8
163.06087	5.9
163.14851	5.2
165.12730	2.6
170.05423	3.2
170.64690	2.5
173.13162	4.2
187.14813	5.9
194.51848	2.2
196.65314	2.1
241.19545	2.8
243.21130	3.8
259.20560	9.8
261.22223	25.6
309.06631	2.8
317.24738	3.3
333.24203	10.4
335.25806	100.0
337.27478	15.3
373.08298	2.6
470.13217	2.8
521.43256	3.8
563.26697	2.7
595.47174	18.6
613.48181	32.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1087.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
75.00742	0.5
76.15336	0.1
83.01261	0.3
85.02843	2.1
86.15501	0.1
87.00772	0.4
89.02340	0.3
95.01274	0.6
98.19849	0.2
99.00788	1.1
103.00272	0.3
105.03321	0.2
107.01305	1.0
109.02875	0.5
113.02358	1.7
115.00259	0.2
117.01845	0.2
121.02837	0.3
129.01842	0.2
133.02875	4.1
140.51509	0.1
146.43796	0.1
147.04466	0.1
147.78282	0.1
149.02390	1.5
151.00305	2.8
156.55196	0.1
157.03011	0.1
161.33272	0.1
166.54323	0.1
169.06487	0.1
171.04497	0.3
173.06030	0.2
175.02435	0.3
175.03929	1.8
177.01846	0.4
185.05974	0.3
187.03987	0.1
189.05492	0.1
197.06041	0.4
198.03159	0.3
199.03975	1.9
201.01877	0.8
211.03984	0.1
212.04460	0.2
213.05540	0.4
215.03638	0.2
217.05040	1.3
218.05676	0.1
223.04111	0.2
229.05074	0.3
229.32381	0.1
239.03462	0.2
240.04204	0.2
241.05121	0.8
242.02185	0.1
243.03035	0.8
255.02928	0.1
257.04556	0.4
267.03067	0.4
284.03397	0.7
285.04105	100.0
286.04440	5.6
287.04715	0.2
297.03964	0.5
298.04919	0.2
299.05649	0.2
301.03476	0.1
327.05084	1.3
339.05032	0.2
355.04575	0.1
357.06262	0.8
369.06192	0.2
381.05957	0.2
399.06836	0.1
461.07361	56.8
462.07733	4.5
463.07755	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	952.5107
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	100.0
68.05846	4.1
69.03425	17.7
69.06721	3.4
69.07069	45.4
71.04987	10.4
71.59525	4.7
73.02905	6.9
79.05492	90.5
80.05826	2.3
81.03418	74.8
81.07054	87.0
83.04976	27.3
83.08611	36.9
85.02904	35.1
85.06527	3.9
91.03951	11.7
91.05476	87.0
92.63039	2.4
93.07040	76.0
95.04964	41.3
95.08607	53.1
95.09136	1.6
97.02892	17.7
97.06526	27.5
97.10156	18.0
98.07298	3.9
99.04438	4.5
99.08105	6.5
103.05462	2.8
105.07029	68.0
107.04953	26.8
107.08587	48.2
109.02869	4.6
109.06527	17.2
109.09460	4.0
109.10158	48.2
111.04421	6.3
111.08069	20.1
113.05937	3.6
115.05496	3.2
116.04671	3.9
117.07019	21.5
119.08572	61.2
119.75106	2.4
120.05461	2.4
121.06501	7.6
121.10131	26.4
123.08057	12.0
123.11713	6.5
125.09605	18.3
127.03909	10.6
128.57330	2.1
129.05489	13.2
129.06996	19.7
131.08557	34.3
132.08867	2.6
133.06488	6.6
133.10129	51.7
135.08035	12.4
135.11673	13.1
137.09619	20.2
141.06993	3.1
142.07808	3.9
143.08539	5.5
145.04916	2.6
145.06503	2.6
145.10098	25.3
147.08023	9.2
147.11694	37.5
149.09608	32.8
149.13232	6.9
151.11211	6.0
153.09084	2.7
153.12770	3.2
155.08508	2.6
157.08780	3.8
157.10112	27.0
159.11717	17.6
161.09578	5.6
161.13257	8.9
163.06093	3.0
163.11172	18.7
165.12773	5.9
166.13498	2.9
171.10205	3.5
171.11702	7.0
173.04401	3.4
173.09596	3.4
173.11729	11.4
173.13269	8.3
175.11171	21.0
175.14818	2.9
177.12782	3.2
179.14294	6.9
185.13246	4.6
187.11209	3.8
189.11140	10.6
191.10663	2.8
193.12244	52.6
197.13303	2.8
199.13283	5.7
201.16426	2.4
209.11786	4.6
211.13269	68.4
223.13310	3.6
227.12769	22.4
229.14279	16.6
229.19377	2.8
239.18034	2.6
243.15979	3.4
247.20604	6.8
253.14182	3.3
255.15828	5.7
257.18961	8.8
259.20584	8.0
267.15900	36.7
268.16174	3.5
269.17429	9.2
273.15695	2.5
273.18521	8.4
275.20056	46.5
283.15536	8.4
285.16943	44.7
291.16315	2.4
291.19418	12.4
293.21106	3.6
299.14835	9.9
301.16379	30.1
301.21597	2.6
331.22647	3.2
333.24176	4.0
347.22556	2.6
349.23737	58.1
365.23138	9.0
381.22394	2.5
383.24200	3.2
421.25885	14.8
423.27548	5.0
429.19510	2.8
439.26828	41.1
439.32260	4.1
447.27740	5.2
455.26202	2.6
459.27417	4.3
461.29092	3.2
463.30704	5.5
465.28250	4.0
471.26343	3.3
477.28406	5.5
477.86374	2.7
479.29883	6.4
495.29562	11.2
503.34415	2.8
523.34064	4.3
539.33923	5.3
541.35333	21.7
542.35895	3.5
557.34955	16.2
558.35706	3.0
559.36298	48.6
575.35687	36.9
577.37042	8.1
583.31860	3.5
593.36523	7.8
880.06726	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	941.508
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	3.0
69.03426	2.9
69.07072	0.8
71.01357	0.5
71.04997	0.7
73.02916	2.7
79.05517	2.2
81.03432	2.5
81.07063	2.6
83.04957	0.5
83.08642	0.7
85.02899	5.2
91.03947	3.4
91.05479	2.3
93.07061	1.7
95.04970	0.8
95.08634	2.6
97.02897	5.5
99.04448	0.7
101.02386	1.1
105.07050	0.8
107.08640	1.0
109.02884	1.0
109.10178	0.8
115.03943	0.5
117.07053	0.7
119.08604	0.8
121.10184	1.2
127.03945	2.0
131.08591	0.6
147.11731	0.7
149.09572	0.7
157.10223	0.4
185.04274	0.5
193.12186	0.6
228.65060	0.4
243.08466	1.4
267.16071	0.5
283.15210	3.4
335.26138	0.6
339.17999	0.7
347.09464	2.3
365.10776	1.0
405.13635	5.7
432.18933	0.4
452.84671	0.5
455.83948	0.4
501.23016	5.4
519.29352	7.3
617.39661	0.5
653.81305	0.4
663.28510	4.8
681.34521	9.1
779.44958	2.5
941.50769	100.0
942.50720	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	936.5527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	2.9
67.05507	68.8
69.03415	4.4
69.07072	15.4
70.00866	4.4
71.05000	4.1
73.02909	3.0
74.95982	0.8
79.05493	45.4
81.03419	100.0
81.07056	74.9
82.03746	0.9
83.04983	7.4
83.08618	27.8
85.02903	11.1
85.06548	3.2
87.04422	0.8
90.70834	0.9
91.03970	7.6
91.05481	41.5
93.07045	55.3
94.16482	0.7
95.04970	37.6
95.08607	56.4
97.02882	9.1
97.06509	4.3
97.10169	9.4
98.21425	1.1
99.04442	1.2
99.08101	1.4
103.05436	1.2
105.07036	32.5
107.04960	10.9
107.08594	32.5
109.02866	0.9
109.06522	7.9
109.10155	22.5
111.04436	2.2
111.08076	8.6
111.11639	0.8
115.05457	2.7
117.07021	10.9
119.04945	1.0
119.08582	33.1
121.06477	5.0
121.10146	31.4
121.11031	1.7
123.04438	2.9
123.08073	4.8
123.11719	10.0
125.09637	6.6
127.03897	2.3
128.06248	1.2
129.07001	13.6
131.08566	23.5
133.06519	4.1
133.07352	0.7
133.10126	17.9
135.08054	3.4
135.11681	17.7
137.05980	0.9
137.09602	4.4
137.13257	2.4
139.11172	0.8
142.07790	3.1
143.08554	4.2
144.43633	0.9
145.04967	2.3
145.10114	13.9
147.04428	2.7
147.08023	4.9
147.11685	17.9
148.48289	0.7
149.05899	0.9
149.09610	7.6
149.13274	9.8
151.11201	1.9
151.14871	0.8
153.06949	0.9
153.09158	1.4
155.08549	1.8
157.10138	13.9
159.11705	9.1
161.09543	1.5
161.13268	6.7
163.06055	5.4
163.11192	3.7
163.14854	3.8
165.12781	3.0
167.35744	0.7
171.11723	2.6
173.09605	1.2
173.13260	7.8
175.11200	10.8
175.14832	2.8
177.12794	1.7
177.16414	1.2
183.11723	1.7
185.13222	2.0
187.14784	3.8
189.11198	2.3
189.12782	1.2
193.12254	24.3
195.11804	0.9
197.13362	1.0
199.14850	1.2
201.16498	1.5
202.21001	0.8
205.12183	2.1
207.13864	1.0
209.13417	1.1
211.13289	3.0
227.12759	8.2
233.15558	0.8
233.22710	1.7
235.13301	3.1
243.21112	6.3
247.16974	1.6
249.14867	2.7
259.13303	1.7
259.20636	1.8
261.22137	21.3
261.24841	1.3
267.15924	99.4
268.16345	1.2
273.14746	1.4
279.23245	1.8
283.24457	0.7
285.22043	0.8
299.23788	1.0
301.14279	2.3
301.25220	6.5
309.16998	4.3
313.27341	1.4
317.24716	2.4
319.15604	1.0
333.16840	0.9
335.25815	88.3
336.26093	1.8
359.25687	1.1
417.26102	0.9
421.25705	3.4
435.27216	3.7
435.32629	4.6
453.33707	9.6
463.30344	0.9
471.34918	4.8
509.36417	2.2
527.37329	74.6
528.37592	3.1
545.38385	84.2
546.38409	1.9
559.39624	3.0
569.38385	10.1
577.40753	1.6
587.39197	1.9
611.39386	2.7
623.39258	3.0
635.39502	3.8
647.79871	0.8
653.40662	3.7
671.41699	4.4
762.25800	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	936.5149
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.7
67.05504	79.5
69.03429	14.8
69.07059	28.9
71.04988	10.5
71.59769	2.5
71.60110	2.4
73.02920	5.8
79.05490	82.8
80.27875	2.4
81.03414	99.5
81.07056	88.7
82.79680	2.4
83.04980	26.2
83.08618	46.1
85.02900	38.8
85.06544	4.6
87.05180	2.5
91.03902	5.3
91.05480	83.7
93.07040	68.1
95.04966	48.7
95.08605	37.3
95.74158	2.3
97.02878	15.3
97.06527	21.5
97.10172	16.3
99.04443	3.4
99.08070	5.4
103.05477	4.2
105.04533	2.5
105.07024	63.4
107.04948	20.5
107.08591	47.3
109.02887	3.0
109.06512	14.7
109.10147	18.4
111.04417	5.1
111.08100	12.7
113.06004	3.5
115.05464	2.7
117.07016	19.4
119.08584	50.7
121.06509	8.4
121.10148	30.0
123.08072	7.3
123.11683	5.0
125.09671	16.6
127.03918	6.6
129.06985	20.3
131.08554	31.6
133.06483	6.1
133.10127	39.2
135.08044	9.8
135.11699	10.3
137.09668	3.9
139.11241	2.5
141.07005	2.7
142.07776	5.5
143.08533	7.6
145.05019	3.1
145.06490	2.6
145.10106	19.5
147.08026	6.0
147.11690	32.4
149.09621	26.1
149.13235	11.1
151.11176	3.2
157.10123	17.6
159.11696	15.2
161.09622	2.4
161.13275	4.0
163.11201	13.1
165.12779	4.8
169.10121	7.1
171.11676	5.1
173.11818	3.4
173.13280	5.4
175.11176	18.9
177.12798	3.8
179.14296	3.2
183.11598	3.5
189.11226	6.5
193.12239	57.5
194.12512	2.8
194.58022	2.3
211.13280	71.7
212.13660	4.7
227.12779	29.2
229.14386	8.0
239.18040	4.4
255.15881	4.6
257.19003	10.3
267.15897	49.3
268.16217	8.1
269.17480	14.3
275.20056	45.7
285.16949	80.2
285.20151	4.0
293.21127	4.7
331.22681	4.0
349.23770	51.4
375.52765	2.6
381.22879	3.1
387.17096	2.6
437.24899	5.6
439.26822	7.0
443.28058	2.8
447.27582	8.3
449.30017	3.4
455.26263	4.4
459.27240	4.0
460.27737	5.4
461.28934	28.7
463.29694	2.5
465.28485	14.7
467.31555	3.0
477.28384	3.6
479.30026	72.4
523.34174	6.0
541.35339	43.2
559.36243	100.0
560.35974	3.0
577.37415	12.0
587.30872	3.5
605.33020	2.7
621.62323	2.5
623.34082	6.5
703.39880	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	934.5366
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	1.5
67.05508	30.4
69.03436	2.8
69.07066	8.8
71.01362	1.7
71.04987	3.8
71.08670	0.9
71.61859	1.5
73.02900	1.2
79.05144	0.6
79.05493	30.0
81.03418	13.2
81.07060	31.7
83.01337	1.3
83.04986	7.6
83.08632	7.3
85.02911	9.6
85.06555	1.8
87.04511	0.8
88.78972	0.8
91.03973	3.0
91.05484	19.2
91.06014	1.6
93.07047	33.9
95.04974	6.8
95.08610	25.6
96.04508	0.8
97.02896	8.3
97.06541	6.5
97.10183	2.8
99.04493	1.1
102.78257	0.8
104.89842	0.7
105.07027	9.9
107.04960	8.5
107.08595	16.0
109.02857	1.3
109.06538	5.2
109.10169	10.5
111.04450	13.7
111.08085	3.3
111.11747	0.9
113.06020	0.9
117.07026	8.5
119.08585	12.5
121.06525	3.5
121.10142	16.9
123.08064	4.9
123.11710	2.7
125.06007	3.6
125.09636	1.5
127.03915	0.9
129.07007	2.6
131.08583	8.2
133.10127	6.5
135.08061	2.4
135.11697	14.7
137.09619	1.5
143.08614	1.3
145.04941	1.9
145.06487	1.0
145.10115	15.9
147.08046	3.8
147.11653	3.9
149.09613	2.4
149.13222	2.7
151.14853	0.8
153.12727	6.3
157.10114	1.1
159.11700	2.7
161.09644	0.9
161.13260	3.1
163.11186	18.5
163.14851	1.9
173.09677	4.2
173.13281	2.2
181.12292	3.7
185.13280	0.9
189.87625	1.0
191.10602	5.1
195.13678	1.2
201.16435	1.0
209.11705	6.2
209.13315	0.8
223.13303	11.8
227.12755	5.2
241.14357	13.0
243.21109	1.8
259.20520	1.4
261.22104	5.4
265.14374	5.0
267.15952	1.6
283.15381	10.8
299.23547	1.4
315.18018	25.6
317.24557	1.6
333.24210	1.1
335.25800	60.6
336.26166	1.5
373.77527	0.9
433.30975	1.1
451.31970	2.2
469.33066	1.7
525.35797	12.6
526.37994	0.8
543.36853	64.2
557.38446	1.5
561.37714	1.5
575.39435	100.0
576.39752	2.5
610.44672	1.0
886.48395	1.1
905.95374	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	934.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
64.86660	1.4
65.03937	3.4
67.05508	49.3
69.03429	12.3
69.06714	2.5
69.07068	29.1
71.04994	6.3
71.60089	1.9
72.89406	1.5
73.02907	2.2
79.05495	52.9
81.03423	44.5
81.06578	2.7
81.07059	52.9
82.03763	1.5
83.01357	3.3
83.04985	17.8
83.08622	25.1
83.54505	1.4
85.02903	26.3
85.06567	3.6
87.04481	1.6
91.03956	5.9
91.05483	49.4
92.26676	1.4
93.07048	44.1
94.07362	1.8
95.04433	2.5
95.04982	24.9
95.08610	27.1
96.05270	1.7
97.02895	15.4
97.06532	13.3
97.10181	18.7
99.00749	1.4
99.04477	2.6
99.08087	1.6
105.07031	35.9
107.04954	17.2
107.08597	35.4
109.02879	2.3
109.06520	10.9
109.10148	16.3
111.04436	5.1
111.08093	8.0
115.05495	1.7
117.07018	14.2
119.04925	2.1
119.08584	24.9
121.06561	7.6
121.07253	1.4
121.10151	16.5
122.85786	1.6
123.04485	2.1
123.08060	11.2
123.11717	2.9
125.09635	17.7
127.03919	5.1
129.06998	10.9
130.07735	1.8
131.04900	1.9
131.08572	21.5
133.06502	5.0
133.10141	21.2
135.08064	6.9
135.11723	13.4
137.09615	3.7
141.07045	1.8
142.07768	2.6
143.08586	4.9
145.04932	2.3
145.06483	1.7
145.10130	22.2
147.08058	8.3
147.11685	16.2
149.09621	10.7
149.13258	3.4
151.11192	3.0
155.08572	2.7
157.10149	11.1
159.11697	6.1
161.09633	4.0
161.13214	2.9
163.11177	21.3
165.12714	1.9
169.10080	2.7
171.11716	3.0
171.52805	1.6
173.09593	2.7
173.13226	4.4
175.11177	9.0
177.12817	2.0
179.14290	2.5
183.11700	1.7
185.13193	2.0
187.11102	2.0
189.11220	9.0
189.12685	1.7
193.12244	21.9
209.11707	4.7
211.13283	31.8
211.15257	2.0
223.13235	9.1
227.12766	28.4
229.14490	4.4
249.14819	1.7
253.14346	7.6
257.19009	4.8
265.14392	2.0
267.15912	28.0
268.16162	1.9
269.17352	4.2
273.18448	9.9
275.20096	20.2
283.15427	53.9
285.16995	34.7
291.19556	56.7
293.21057	2.0
331.22690	1.6
347.22067	4.1
349.23822	27.2
365.23245	35.1
437.25455	5.8
453.24841	5.6
459.27234	6.1
461.28317	2.2
463.27209	6.8
475.26785	3.5
476.27454	2.3
477.28406	31.6
478.28409	2.3
493.27802	3.1
494.27716	1.9
495.29138	4.3
539.33728	8.7
557.34778	100.0
558.34680	1.9
575.35797	79.2
576.36249	2.3
719.39264	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	925.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
64.00343	0.1
65.26974	0.1
67.01842	0.2
68.99789	0.2
69.48539	1.0
70.06545	0.1
83.90105	0.1
85.02886	0.1
129.01862	0.1
135.04420	1.1
137.02373	0.3
153.01820	2.6
156.20207	0.1
161.02359	0.2
171.02890	0.6
171.06772	0.1
179.03351	0.2
241.04890	0.3
263.05569	0.1
269.04471	0.3
287.05484	100.0
288.05823	1.5
463.08685	22.2
464.08896	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05506	10.7
69.03429	8.2
69.07069	5.0
71.01359	1.1
71.04996	1.1
71.08647	0.6
71.60329	0.7
73.02917	6.6
77.03916	0.7
79.05495	9.3
81.03413	4.0
81.07056	13.3
83.04992	1.5
83.08627	4.4
85.02906	19.2
86.06078	0.6
87.04465	1.2
91.03958	10.1
91.05486	8.2
93.07047	9.4
95.04973	1.7
95.08610	10.4
97.02896	15.7
97.06564	1.1
97.10177	2.2
99.04458	2.0
99.08115	0.8
101.02378	2.1
103.03980	0.5
105.07024	6.7
107.04962	1.2
107.08595	6.1
109.02892	1.4
109.06500	0.8
109.10153	4.9
111.08089	1.0
115.03946	1.1
115.05468	0.6
117.07027	4.8
119.08582	7.3
121.10153	4.4
123.08083	0.7
123.11710	1.5
125.09673	1.2
127.03916	4.7
128.06245	1.7
129.07005	5.8
130.07756	0.6
131.08575	7.4
133.10138	5.5
135.08064	0.7
135.11720	2.9
141.06999	2.3
142.07785	1.8
143.08580	7.4
145.04991	2.5
145.10147	6.9
147.11681	3.3
149.09621	0.6
149.13275	1.6
153.07010	1.0
154.07761	1.1
155.08563	5.7
157.10127	7.0
159.11694	5.0
161.13283	1.7
163.06032	1.9
165.04497	0.5
167.08575	3.0
168.09355	1.2
169.10129	6.7
171.11700	7.9
173.13281	2.9
173.76389	0.6
175.14908	1.1
179.08614	1.7
181.10094	4.3
183.11693	7.6
185.13269	4.6
187.14854	2.4
189.16457	0.6
193.10158	1.6
195.11708	5.1
197.13295	5.3
199.14830	2.9
201.16443	1.3
205.10184	1.0
207.11708	1.5
209.13249	3.6
211.14731	4.2
213.16447	1.7
219.11778	1.0
221.13268	1.9
223.14896	3.3
225.16440	2.8
227.17973	1.6
231.17622	0.5
233.13261	1.4
235.14963	1.5
237.12863	0.5
237.16444	2.1
239.17990	2.3
247.14812	0.6
249.16486	1.7
251.18027	1.1
253.19673	1.2
257.19141	0.7
258.58267	0.6
263.18060	0.9
267.21097	1.1
283.20535	0.7
295.03186	0.7
295.20648	0.6
337.25427	1.1
339.22919	0.7
349.25589	0.9
351.26843	0.8
391.30054	0.7
449.34164	0.6
487.34906	0.7
501.35391	0.8
513.36072	0.8
517.40729	2.7
525.35571	0.6
527.37585	1.0
535.41156	1.8
539.37616	2.1
541.39233	0.7
553.39929	0.7
573.43176	0.8
589.67999	0.6
591.44086	5.6
607.43622	3.0
608.43982	0.8
609.45129	100.0
610.45575	3.9
621.45093	2.4
622.20862	0.6
623.01843	0.7
625.42798	0.7
633.45111	1.4
651.46124	1.7
675.45337	1.1
693.47144	1.2
699.45911	1.4
717.47034	1.6
735.48206	3.4
735.59155	0.6
753.48785	3.6
771.50403	29.5
772.50049	1.3
933.55865	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	920.5206
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.5
67.05504	53.4
69.03421	3.9
69.07052	17.0
70.08058	7.5
70.35046	1.9
71.04992	4.9
72.33035	1.9
73.02911	4.1
79.05054	3.1
79.05492	40.4
81.03397	10.0
81.07059	48.1
83.04961	10.2
83.08635	9.8
85.02904	19.2
85.06530	3.4
91.03964	9.4
91.05480	28.4
93.07043	46.2
95.04962	13.1
95.08611	36.7
97.02905	16.0
97.06514	5.8
97.10166	3.9
99.04470	3.3
105.07030	22.9
107.04958	9.9
107.08588	28.0
109.02868	2.0
109.06528	3.0
109.10159	20.5
111.04453	10.9
111.08065	5.9
113.06003	1.7
114.07259	1.8
115.05450	2.9
117.07025	14.3
117.97893	1.5
119.08594	16.1
121.06501	2.6
121.10136	22.7
123.08088	5.1
123.11700	6.2
125.09602	2.8
127.03944	3.6
129.07019	3.2
131.08562	15.7
133.10127	14.4
135.08069	3.9
135.11676	19.1
137.09615	2.7
137.13258	2.3
138.63791	1.6
143.08582	3.6
145.03918	1.9
145.04988	3.7
145.06499	3.3
145.10112	18.7
147.07986	3.6
147.11685	4.6
149.09610	4.3
149.13237	7.1
151.11211	2.5
153.12758	4.2
153.99301	1.8
155.08565	3.0
157.10133	3.3
159.11658	6.8
161.09628	2.3
161.13312	4.3
163.06009	4.1
163.11188	15.7
163.14832	3.1
171.99071	1.9
173.09630	8.5
173.13245	3.6
181.12257	4.5
191.10677	6.4
199.14735	2.2
209.11729	19.3
227.12816	6.7
229.14374	3.8
243.21159	3.1
253.14394	5.1
259.20743	2.3
261.22116	13.9
269.22433	1.9
273.22134	2.3
283.15387	46.7
285.16949	2.4
291.23413	2.1
299.14941	2.0
301.16479	20.7
315.23203	2.1
317.24771	2.0
319.12573	1.8
333.24216	3.8
335.25815	63.2
336.26248	3.1
375.99084	1.9
433.30920	6.2
451.32019	9.4
469.33124	6.5
470.24899	1.7
487.33856	2.5
507.34537	2.2
515.37183	2.8
525.35828	21.5
543.36804	100.0
544.37415	2.3
561.24457	1.9
561.37793	32.1
705.41132	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	920.5214
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03955	2.8
67.05510	52.0
69.03430	5.2
69.07075	13.0
70.61797	1.8
70.62153	4.9
71.01366	1.9
71.04987	4.1
73.02911	6.1
79.05497	38.6
80.06246	1.7
81.03423	10.7
81.07063	44.5
82.04208	2.0
83.04989	9.6
83.08627	11.9
85.02905	19.4
85.06531	2.3
91.03961	7.5
91.05484	28.7
93.07043	39.5
93.18905	1.3
95.04971	16.2
95.08610	38.5
97.02882	9.4
97.06515	7.8
97.10172	11.8
98.07319	3.3
98.21462	1.6
99.04435	2.6
101.02296	1.3
105.07035	21.2
107.04969	3.9
107.08592	25.9
109.06520	5.0
109.10152	19.7
111.04479	2.1
111.08088	5.0
116.04722	7.0
117.07001	7.8
119.08572	16.8
121.06505	1.6
121.10155	18.6
123.08067	4.1
123.11718	4.0
125.09674	9.0
127.03942	2.1
129.05498	18.4
129.07024	4.8
131.08582	15.6
133.10139	14.0
135.08064	3.2
135.11720	14.1
137.09584	2.6
137.13261	1.6
143.07028	4.1
143.08589	2.5
145.04982	5.3
145.10139	11.2
147.08051	2.0
147.11682	9.4
149.09596	1.4
149.13280	5.4
151.11258	2.9
157.08600	8.3
157.10115	4.6
159.11725	7.1
161.13272	5.2
163.06070	4.0
163.11174	4.8
163.14874	4.4
171.10240	2.4
171.11665	2.1
173.11835	2.0
173.13274	6.0
175.11275	2.5
175.14821	3.7
181.12263	2.4
187.14761	1.9
189.11218	3.7
191.10683	1.8
193.12234	7.9
199.13264	2.5
201.16412	2.3
209.11731	3.5
211.13321	6.1
227.12808	7.5
229.14348	4.3
243.21086	3.0
259.20740	3.1
261.22162	11.3
267.15942	7.7
275.20303	1.4
277.21616	3.4
283.15353	12.0
285.16983	4.1
301.16464	60.2
315.23297	2.0
317.24756	2.4
335.25821	77.6
351.25214	1.7
389.26855	1.6
433.13483	1.6
433.30527	2.5
449.11737	1.4
451.32333	2.4
469.33200	1.6
525.35419	3.1
527.37146	7.8
543.36688	20.7
545.38354	3.8
546.38678	1.8
561.37878	100.0
562.37970	2.8
915.40497	1.6
936.86865	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	920.5211
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.7
67.05502	49.5
69.03413	9.8
69.07072	18.1
71.04981	5.4
71.60014	2.8
73.02917	4.4
75.02630	2.1
79.05495	51.9
81.03416	53.8
81.03859	4.5
81.07056	49.3
83.04973	16.1
83.08620	17.6
85.02904	23.8
85.06506	2.2
91.03941	6.8
91.05479	59.3
93.07044	47.1
95.04964	27.6
95.08604	25.0
97.02893	8.9
97.06535	5.5
97.10161	7.8
99.04480	2.5
105.07034	63.2
107.04958	11.1
107.08591	24.7
109.06509	4.9
109.10151	13.7
111.08076	8.1
111.34477	2.1
113.06010	3.0
113.65411	2.1
117.07034	16.6
119.08579	49.5
121.06506	3.5
121.10125	20.9
123.08106	5.2
123.11725	3.8
125.09592	5.2
126.92576	2.4
127.03952	2.5
129.07019	20.2
131.08563	32.1
133.06479	3.6
133.10126	35.7
135.08028	2.7
135.11673	11.8
136.90092	2.3
137.09598	4.0
139.11156	3.5
142.07777	3.7
143.08601	11.3
145.10123	21.1
147.08061	3.2
147.11676	38.7
149.09637	8.3
149.13245	7.7
151.11185	2.5
153.44044	2.2
155.08524	4.3
157.10103	22.7
159.11693	15.3
161.13257	19.9
163.06139	2.7
163.11195	6.1
165.12718	3.1
169.10182	3.5
171.11714	10.1
173.13290	6.7
175.11174	13.4
175.14847	6.2
183.11681	2.9
185.13261	8.3
187.14847	4.1
193.12233	24.0
199.14822	3.8
211.13254	42.5
220.17914	2.7
227.12726	5.3
229.14268	3.0
231.20996	5.6
241.19499	16.3
257.18951	3.0
259.20566	45.6
267.15909	18.9
269.17532	2.9
275.20224	2.9
277.21835	2.7
283.15463	6.1
285.16971	59.6
301.21729	2.4
315.23148	4.1
333.24228	44.3
338.24631	2.6
339.17578	2.9
433.30844	9.0
451.32159	5.9
469.33145	5.3
507.34741	4.5
515.37537	3.3
517.35858	2.5
525.35846	35.3
543.36810	100.0
544.37354	2.8
561.37103	9.6
651.38513	4.8
669.40137	3.1
687.40570	3.2
705.41608	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	918.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.1
67.05503	38.9
69.03404	2.4
69.07070	7.4
69.85757	2.5
69.86160	1.5
70.06546	1.1
71.01340	1.1
71.04965	2.2
73.02881	3.0
79.05490	27.8
81.03413	4.2
81.07055	45.6
83.04943	3.0
83.08617	13.2
85.02435	0.9
85.02901	14.6
85.06510	2.0
91.03954	7.9
91.04897	0.9
91.05479	26.3
93.07040	36.2
95.04964	5.1
95.08603	32.5
97.02299	0.7
97.02888	11.2
97.06535	4.7
97.10146	3.5
98.20827	0.9
99.00811	11.7
99.04434	1.3
99.08021	1.2
103.05434	1.3
105.07029	20.5
107.04950	5.5
107.08593	22.1
109.02876	9.0
109.06484	2.9
109.10146	17.7
111.04417	0.8
111.08057	2.6
115.03917	2.7
115.05430	1.2
117.07016	6.8
119.08573	12.8
121.06511	5.2
121.09325	0.9
121.10136	14.7
121.77270	0.7
123.04395	1.0
123.08040	2.0
123.11715	6.8
125.09599	1.1
127.03905	6.5
128.06230	1.0
129.07007	1.0
131.08563	8.2
133.06453	1.4
133.10133	35.8
135.08002	2.0
135.11697	11.6
137.05930	1.4
137.09573	2.0
137.54878	0.7
139.07498	2.7
143.08569	4.1
145.04900	2.9
145.06064	0.7
145.06483	0.7
145.10115	5.5
147.11679	5.0
149.13293	5.0
151.11194	10.5
151.14732	0.9
157.10008	0.7
159.11682	4.7
161.09619	14.5
161.13248	4.3
163.05946	3.2
163.11191	0.7
163.14804	2.7
171.08017	3.5
173.13281	5.5
175.14787	2.0
177.16478	0.8
179.10698	6.4
187.14822	2.5
189.09108	8.4
197.11690	2.5
201.16364	1.0
207.10164	2.3
225.11214	10.6
227.12865	1.2
243.12285	3.9
243.21103	6.0
259.20502	1.3
261.22141	20.5
277.21646	1.6
279.23166	1.7
281.13797	3.8
287.23633	1.3
299.14883	95.1
300.15289	1.6
315.23163	2.8
317.24753	2.6
332.63403	0.7
335.25797	100.0
336.26138	1.4
368.45291	0.7
373.24200	0.7
394.28894	0.7
421.30988	1.4
439.32245	1.4
449.30774	1.6
467.31448	5.2
485.32562	3.5
486.50241	0.8
495.34506	0.6
513.35974	4.4
515.37439	2.5
531.36658	4.1
533.39056	0.9
541.35229	15.3
559.36298	70.4
560.36713	2.5
577.37335	4.4
761.43878	0.9
783.31885	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	3.5
67.05503	30.0
69.03430	3.5
69.07063	12.8
69.29279	6.1
69.29702	11.1
71.04980	3.7
71.08739	1.4
73.02923	3.8
79.05494	42.6
79.05961	2.2
80.05904	1.6
81.03418	12.2
81.07058	41.7
83.01328	3.5
83.04964	7.6
83.08613	14.3
85.02910	15.3
85.06545	2.9
91.03948	5.5
91.05479	46.5
93.07044	46.0
95.04974	10.6
95.08611	25.7
97.02891	7.0
97.06543	5.7
97.10176	5.7
99.04443	3.0
99.08048	2.4
105.07034	54.6
107.04954	8.1
107.08589	25.5
109.06532	7.8
109.10149	9.3
111.04414	3.2
111.08131	1.8
117.07006	20.1
119.08578	45.0
121.06519	3.3
121.10161	20.1
123.08102	7.9
123.11654	2.7
125.09639	4.3
127.03915	4.4
128.06259	2.0
129.06990	11.0
130.07761	2.8
131.08554	17.2
133.06479	1.9
133.10127	31.0
135.08099	3.5
135.11693	17.5
143.08607	7.7
145.04973	1.9
145.10124	27.0
147.08043	2.4
147.11681	29.5
149.09645	3.7
149.13286	7.4
153.12775	3.2
155.08577	2.9
157.10100	10.0
159.11697	13.8
161.13248	15.5
163.06137	3.1
163.11182	19.1
165.92506	1.6
169.10023	2.4
171.11658	8.7
173.09636	3.2
173.13261	9.2
175.14824	5.0
177.12773	2.3
181.12251	3.2
183.11725	3.3
185.13283	9.7
187.14903	2.7
189.11249	3.6
193.12267	2.2
197.13168	2.2
199.14893	4.8
209.11737	4.6
227.12650	11.8
231.21136	3.8
241.19479	15.0
257.18985	2.7
259.20593	55.9
267.15805	2.6
275.20001	3.7
277.21835	1.7
283.15399	45.5
297.22006	8.3
313.21893	1.6
315.23193	6.9
331.22540	2.2
333.24240	35.4
431.29547	4.3
449.30328	6.8
485.32684	5.5
513.35297	2.6
523.34308	13.2
541.35278	100.0
542.35577	2.4
559.36230	28.3
685.39319	3.2
703.39136	3.6
904.66034	1.7
919.43958	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	918.4904
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	0.5
67.05432	11.9
67.05825	0.9
69.03415	2.4
69.06994	3.6
69.28687	1.9
69.29112	3.1
70.06536	0.7
71.04974	2.3
73.02862	1.0
74.05712	0.4
79.05491	14.4
79.05906	0.9
81.03415	37.7
81.07054	13.9
83.04972	3.6
83.08614	13.4
83.09063	0.6
85.02895	3.2
85.06490	1.1
87.04382	0.5
91.03872	1.4
91.05478	10.7
92.05750	0.5
93.07037	11.4
94.22120	0.5
95.04962	17.9
95.08605	7.3
95.09166	1.0
97.02890	2.4
97.06533	2.5
97.10164	12.0
99.08033	0.9
99.79204	0.4
105.07029	9.9
107.04950	10.8
107.08592	9.6
109.02805	1.0
109.06523	6.9
109.10158	4.7
111.04359	1.0
111.08075	4.6
115.05386	1.0
117.07015	4.6
119.04848	1.2
119.08577	8.1
121.06501	7.9
121.10143	6.5
123.04355	1.3
123.08061	3.5
123.11623	0.9
125.05956	0.9
125.09629	12.0
127.03883	0.7
129.07001	6.0
131.04837	1.1
131.08566	8.1
133.06471	2.9
133.10121	4.7
135.04321	0.6
135.08051	4.0
135.11592	1.7
137.05907	1.0
137.09570	1.1
139.11093	0.8
141.06927	1.2
142.07687	0.9
143.08473	1.7
143.10585	0.6
145.06487	4.6
145.09235	0.4
145.10112	3.6
147.04301	1.5
147.08066	4.4
147.11681	6.0
149.05881	0.5
149.09613	3.7
149.13152	0.6
151.07457	1.0
153.09087	3.7
153.12642	0.6
155.08440	1.7
155.81909	0.5
157.06439	1.0
157.10126	7.7
159.08043	2.1
159.11612	2.0
161.05899	1.2
161.09534	1.7
163.05988	0.9
163.07336	0.5
163.11160	3.5
165.12675	1.0
167.08510	1.2
167.10674	1.0
169.10045	1.1
169.19122	0.4
171.07980	1.2
171.10301	1.0
171.11620	2.2
173.09520	1.4
173.11777	0.7
173.13179	1.6
175.09750	0.7
175.11176	6.3
177.12724	1.1
181.10013	0.9
183.08139	0.5
183.11601	1.5
185.09561	1.3
185.13225	1.1
187.11070	2.0
187.14771	1.1
189.11116	7.7
189.12704	1.6
191.10443	0.6
191.14223	1.2
193.10406	0.9
193.12238	15.7
195.11671	0.9
197.09489	0.7
197.13274	1.1
199.11111	1.3
199.13066	0.7
201.12656	0.8
205.10204	0.6
205.12132	1.5
207.13774	0.9
209.13222	0.7
211.11317	1.1
211.13208	2.0
213.12718	1.4
215.14191	2.2
217.12083	1.3
219.13762	2.7
223.11139	0.6
223.13188	1.5
225.12573	0.7
227.12547	2.2
227.14537	1.0
231.13730	1.4
233.15402	2.8
235.11122	0.6
235.13196	1.2
237.12660	1.3
239.14244	1.0
245.15344	0.7
247.16875	0.6
249.14760	1.5
255.13826	2.8
257.15405	0.9
259.13269	1.5
267.15906	45.3
273.14755	6.3
275.16400	0.5
283.16849	0.8
284.38867	0.5
287.16382	0.7
289.14322	0.8
293.17453	1.0
301.14273	0.6
309.16791	0.6
321.22269	0.5
339.23190	2.5
349.21701	4.5
357.24222	1.7
359.23175	0.6
367.22656	11.1
385.23700	19.8
403.24734	6.6
423.25211	0.7
441.26309	9.9
459.27399	97.3
460.27679	1.5
477.28470	100.0
478.29004	1.3
491.30054	13.0
501.28448	5.5
509.31369	5.4
513.28400	2.1
519.29791	1.1
531.29468	2.1
541.33575	0.7
543.29480	1.8
555.29919	0.9
567.29504	5.7
573.29962	0.7
585.30536	2.2
603.31458	1.7
617.33960	0.5
621.31799	0.5
680.30695	0.5
723.33868	0.5
840.81812	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.548
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	1.4
67.05505	50.8
69.03406	3.3
69.07070	13.4
69.51688	9.0
71.01335	1.6
71.04992	2.5
71.08631	21.1
73.02907	4.7
78.56146	1.1
79.05495	15.2
81.03417	5.2
81.07052	28.3
83.04981	4.0
83.08138	1.4
83.08615	16.3
85.02900	18.6
85.06544	3.0
85.10183	12.4
87.04456	3.9
88.79856	1.0
89.06004	1.3
91.03971	5.2
91.05469	8.1
93.07037	8.4
95.04958	4.0
95.08604	25.7
97.02868	6.2
97.06508	2.5
97.10167	17.3
99.04450	1.5
99.11737	1.1
103.03955	1.3
105.07028	2.7
107.04964	2.3
107.08588	10.6
109.10152	43.0
111.08067	2.8
117.07003	2.6
119.08556	6.1
121.06433	1.1
121.10142	3.9
123.11691	4.7
125.09641	13.9
127.03887	2.3
129.06927	1.0
131.08598	1.5
133.10136	1.4
135.08055	1.7
135.11682	3.8
137.09610	2.5
143.10748	2.1
145.04944	2.4
145.10100	2.1
149.32545	0.9
153.12701	1.6
155.10677	2.0
163.06082	2.0
163.11191	2.2
173.11746	12.9
181.12207	1.2
189.11298	1.3
191.10652	1.3
193.12221	1.7
199.13271	11.6
209.11687	5.3
217.14450	1.2
223.13219	2.9
227.12737	6.1
229.14351	56.9
239.23683	4.2
257.13837	1.7
257.24753	2.6
267.15897	3.5
283.15497	4.9
297.16821	5.4
301.16470	29.4
313.27365	100.0
314.27710	3.2
335.25900	3.6
341.26898	1.5
374.00613	1.3
437.36206	6.4
455.37418	12.0
456.37268	1.3
467.37354	37.5
489.35452	2.3
521.38184	5.7
539.39319	20.1
557.39532	5.6
701.44556	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	916.5263
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03958	4.7
67.05505	42.6
69.07063	6.4
69.58670	25.2
79.05490	63.8
81.03423	13.9
81.07059	54.5
83.04987	10.5
83.08615	12.3
85.02923	7.0
90.48491	3.8
91.05484	65.3
93.07047	59.8
95.04972	18.1
95.08597	25.7
97.02888	7.5
97.06543	6.0
105.07027	64.7
107.04975	6.4
107.08591	20.3
109.06506	6.5
109.10157	9.3
111.08105	3.5
113.09629	3.0
117.07017	18.6
119.08586	38.4
121.10150	13.7
123.08056	4.3
129.07010	22.0
131.08578	13.0
133.10124	30.5
135.11707	10.5
143.08572	13.3
145.10149	22.2
147.11685	41.0
149.13298	7.2
157.10139	6.9
159.11722	11.0
161.09691	3.2
161.13281	22.8
171.11726	24.1
173.13295	6.8
175.14838	10.3
183.76218	3.2
185.13257	7.5
187.14793	4.3
189.12813	4.6
199.14819	3.6
207.13799	10.7
209.13359	3.8
222.65102	3.1
223.69737	3.1
231.21104	4.9
241.19492	24.6
257.19336	3.1
259.20566	60.6
279.15848	20.0
281.17484	56.6
315.23209	6.9
333.24228	37.2
447.32278	7.7
465.33807	3.8
477.28406	4.1
483.34586	7.5
521.18677	3.0
521.36035	5.9
529.38007	3.7
539.37335	100.0
540.37994	3.9
541.90527	3.6
557.38629	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	11.9
69.03394	1.8
69.07066	4.9
71.04959	0.8
71.08630	18.1
71.33752	0.9
73.02889	1.0
78.84186	0.6
79.05489	6.6
81.03415	52.5
81.07053	15.6
83.04949	2.2
83.08617	17.8
85.02892	4.7
85.09723	0.7
85.10180	11.1
88.58698	0.6
89.05997	1.7
91.03954	3.8
91.04979	0.6
91.05474	10.2
93.07038	4.5
95.04384	0.9
95.04967	16.6
95.08602	14.9
97.02874	3.5
97.06504	1.4
97.10177	4.8
99.11743	0.7
105.07030	7.3
105.64641	0.6
107.04962	3.6
107.08582	3.0
109.06478	1.6
109.10140	7.3
111.04464	0.7
111.08070	4.6
117.06977	0.8
117.52711	0.6
119.08582	7.2
121.06489	2.3
121.10158	4.0
123.04383	1.5
123.08050	1.0
123.11685	3.2
125.09594	0.9
127.03863	1.0
129.07013	6.4
131.08565	5.2
133.06474	1.7
133.10103	2.5
136.85266	0.7
137.05896	0.6
137.09572	1.3
137.13184	1.3
139.14897	0.6
142.07747	0.9
145.04903	1.8
145.10107	1.6
147.04411	1.3
147.08026	2.6
147.11671	4.8
149.09572	3.6
157.10094	7.0
163.06004	3.5
163.11131	1.6
165.12709	1.5
175.11160	6.3
193.12242	21.2
211.13173	1.0
235.13234	1.1
239.23645	2.6
249.14877	1.9
257.24686	2.0
259.13306	0.7
267.15912	100.0
268.16168	1.5
299.18811	0.7
301.14325	1.6
309.16910	3.0
313.27359	92.1
314.27689	2.5
319.15308	0.8
361.16473	0.6
374.57718	0.8
505.38876	87.7
506.39169	2.7
523.39868	4.5
547.39868	6.3
565.40576	0.8
585.56403	0.6
589.40948	1.3
601.41107	3.0
613.41071	1.7
631.41797	2.5
649.43005	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	910.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03944	3.5
67.05510	1.5
69.03440	1.2
70.06593	0.6
70.58459	1.4
75.04474	1.2
77.03943	0.5
78.04719	1.5
78.63423	0.3
79.05497	3.7
81.03424	1.4
81.07036	0.6
82.04205	0.4
85.02913	4.0
86.09695	0.6
88.03997	0.4
89.03916	0.6
89.06017	0.6
91.05474	6.6
91.06010	0.7
93.03410	5.3
93.07038	2.5
95.01353	0.5
95.04966	4.8
97.02923	0.6
97.06538	1.3
100.02203	0.5
103.05466	16.2
105.03416	1.3
105.07032	4.9
105.37981	0.4
106.04174	9.1
106.04858	0.7
107.04960	8.7
107.08589	0.5
108.02135	0.7
109.06550	1.0
110.03661	1.1
111.04462	1.4
115.05441	4.8
116.06300	0.5
117.07032	3.2
118.04171	3.4
119.04936	1.7
121.06509	13.0
122.02781	0.6
122.03642	0.5
123.04433	3.4
123.08125	0.7
124.05221	2.2
125.05991	5.3
127.03999	0.5
129.05447	0.5
129.07030	0.5
130.04112	1.1
131.04929	19.4
131.08585	1.1
132.05716	1.6
133.02859	1.4
133.06497	7.1
134.03630	1.6
135.02634	0.7
135.04396	1.3
135.08043	1.7
137.05989	4.1
138.03123	1.2
139.03886	0.5
139.07542	1.7
141.06976	0.8
142.02608	1.3
143.04901	1.0
144.05736	1.7
145.06468	5.6
146.03651	1.1
146.07254	0.8
147.04408	1.4
147.08005	2.0
148.05183	10.0
149.05984	20.1
151.02081	0.9
151.03914	2.6
151.07550	1.5
152.04655	1.2
153.05464	3.0
153.09117	5.1
157.06454	0.8
159.04396	0.7
159.08096	2.0
160.05186	1.5
161.05977	9.3
162.01355	2.1
163.02130	0.7
163.03917	1.8
163.07547	19.6
165.05432	0.9
165.09157	0.6
167.07043	51.6
168.07336	0.7
171.06563	2.8
172.05243	0.5
173.06009	5.7
174.06754	0.8
175.07547	3.9
176.04651	2.5
177.05470	14.2
177.09039	0.9
178.06097	0.7
179.01662	1.1
179.07050	1.5
180.07863	0.6
181.04962	66.3
181.08528	11.9
182.05304	1.0
183.06525	0.6
187.07510	3.5
189.05493	1.2
189.09148	0.5
190.00865	2.7
190.06224	1.0
191.07028	83.7
192.07576	1.4
193.04929	0.9
193.08618	2.8
195.06548	4.5
201.05502	1.3
202.06259	0.7
203.07031	2.5
205.06757	0.6
205.08589	3.7
207.06494	1.2
207.08594	0.9
207.10246	1.3
208.01901	2.3
209.08092	100.0
210.06689	0.5
210.08545	1.3
213.05536	0.8
217.08530	1.9
219.08144	1.0
219.10104	4.8
221.06084	0.4
221.08022	0.8
222.06636	0.5
223.04242	28.3
224.04500	0.6
225.07587	1.4
231.06511	0.8
233.08080	5.3
234.06744	0.9
234.08806	0.8
235.07524	1.7
235.09668	4.9
237.09212	0.6
241.08681	0.5
245.08075	2.7
247.07417	0.5
250.06274	0.8
251.06860	0.5
251.09138	0.6
252.07809	0.7
255.10025	0.6
262.06253	0.5
263.09158	28.9
264.07587	0.7
265.10904	0.5
267.06512	0.4
267.10107	3.1
271.09592	0.6
279.10010	0.8
281.07919	0.5
282.08972	0.5
284.08118	2.2
292.07129	0.4
293.07965	0.7
295.09540	1.6
297.11267	1.2
299.09198	0.6
300.09155	0.6
307.09692	1.5
311.09161	0.5
312.09030	7.5
323.09000	0.9
325.10620	2.7
326.11102	0.6
327.12323	1.2
329.13666	1.0
330.10089	3.3
331.11652	1.0
335.09055	0.5
337.10580	1.2
339.12222	0.8
342.10565	0.5
353.10016	0.6
356.79208	0.4
357.13354	7.5
359.14529	1.1
367.11591	1.7
369.13199	1.9
371.14777	1.2
381.13281	1.0
385.12762	12.4
387.14081	1.4
399.14569	4.9
411.61960	0.4
417.15439	37.6
418.15558	1.1
609.22394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.8
69.03434	4.0
69.07080	0.9
70.16219	1.0
71.01347	0.5
71.04998	0.5
73.02917	4.1
75.04493	0.2
79.05499	2.0
81.03419	2.6
81.07062	3.5
83.04993	0.6
83.08633	0.6
85.02902	7.5
87.04465	0.4
90.66023	0.2
91.03960	4.3
91.05474	2.1
93.07044	3.0
95.04974	0.8
95.08617	2.6
97.02895	7.0
99.04458	1.2
103.03960	0.2
105.07039	1.1
107.08596	1.5
109.02885	1.3
109.06548	0.2
109.10173	1.0
111.08111	0.3
115.03942	0.5
117.07029	0.2
119.07888	0.2
119.08566	1.0
121.10160	1.3
127.03927	2.1
128.72263	0.2
129.07037	0.3
131.08586	0.7
133.10178	0.6
135.11684	0.5
141.20050	0.2
145.05011	0.5
145.10210	0.2
147.11713	0.7
149.09695	0.2
157.10071	0.3
159.11668	0.3
185.04256	0.8
193.12379	0.7
201.03755	0.3
203.05371	0.9
233.09129	0.2
243.08411	1.9
251.12599	0.9
269.12357	0.6
271.08557	0.2
289.09512	0.3
307.15176	0.4
329.08667	0.3
335.26059	0.8
347.09512	2.7
347.13208	0.3
363.08981	0.6
365.10306	1.1
405.13654	6.2
454.76102	0.2
465.72333	0.3
469.20468	4.0
470.20859	0.3
519.29309	6.9
585.37610	0.3
631.25635	4.0
648.56982	0.2
681.34485	7.7
747.42517	1.9
909.48169	100.0
910.48633	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	907.466
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	4.2
67.98921	0.6
69.03448	3.7
71.01362	0.8
71.05013	1.4
71.60727	0.8
73.02921	3.8
79.05499	3.0
79.30925	0.7
81.03413	2.1
81.07057	4.0
85.02896	7.7
85.03300	0.8
87.04489	0.8
91.03951	4.2
91.05502	2.5
93.07050	2.5
95.04972	1.1
95.08618	1.6
97.02908	5.9
99.04451	1.9
101.02423	2.1
105.07055	1.7
107.08595	2.2
109.02881	1.7
109.10112	1.6
119.08614	1.7
121.10200	1.5
123.11790	0.8
127.03952	1.7
135.11707	1.2
145.04965	1.1
145.10181	2.0
146.89124	0.8
163.11218	1.5
203.05333	1.4
243.08356	3.8
335.25922	1.2
347.09604	2.7
363.09058	0.9
365.10629	1.4
384.40460	0.8
396.69971	0.8
405.13696	5.4
467.18909	7.0
519.29102	4.5
629.24152	8.1
681.34387	3.8
745.41223	1.2
907.46564	100.0
908.46985	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	907.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.7
69.03440	2.8
69.07053	0.4
69.45633	3.1
71.01353	0.5
71.04992	0.6
73.02919	3.6
79.05504	2.0
81.03415	2.0
81.07063	2.5
81.27631	0.4
83.05002	0.7
83.08619	0.6
85.02901	5.5
91.03961	3.6
91.05465	1.6
93.07037	2.5
95.04971	0.9
95.08620	2.1
97.02894	5.6
99.04469	1.2
101.02387	1.3
103.03961	0.4
105.07060	1.0
107.04926	0.6
107.08585	1.7
109.02882	1.0
109.10179	1.2
115.03986	0.6
115.88780	0.3
118.44460	0.3
119.08600	0.5
121.10184	1.1
123.08041	0.3
127.03899	1.7
131.08574	0.6
133.10101	0.5
135.11745	1.4
140.17245	0.3
145.05066	0.4
145.10152	1.2
147.02333	0.3
147.11659	0.3
163.11240	1.4
185.04271	1.1
194.67218	0.3
203.05283	0.5
243.08434	2.0
249.11006	0.4
278.06461	0.4
283.15402	0.6
335.25876	0.7
336.26276	0.3
347.09421	2.3
365.10651	1.0
405.13699	5.3
413.58151	0.4
422.99554	0.4
467.19006	6.9
495.06540	0.3
519.29230	4.1
547.40161	0.5
548.40100	0.8
553.76270	0.4
606.31586	0.4
629.24091	7.6
681.34674	4.6
745.41516	1.4
858.98810	0.5
907.46582	100.0
908.46735	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	904.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03901	1.9
67.05502	42.3
69.03424	4.7
69.07066	10.2
70.51112	0.9
70.51502	0.9
71.04979	3.8
71.08595	0.6
73.02914	3.6
73.06512	0.4
74.93420	0.4
79.05488	34.4
81.03413	48.2
81.07052	42.6
82.07372	0.4
83.04977	12.1
83.08614	20.4
85.02901	31.1
85.06501	1.9
87.04430	0.6
91.03423	0.5
91.03953	7.3
91.05476	31.8
93.07038	35.7
95.04964	23.0
95.08603	28.1
97.02892	9.2
97.06523	5.1
97.10168	4.6
99.04423	1.3
99.08050	1.8
105.04516	0.8
105.07026	24.6
107.04948	5.7
107.08589	18.6
108.08974	0.6
109.06502	4.7
109.10145	12.2
111.04448	2.2
111.08076	8.3
113.06007	2.3
115.03902	0.9
115.05434	1.3
117.07005	4.8
119.04926	0.8
119.08572	21.8
121.06452	1.5
121.10141	18.0
123.08053	3.0
123.11706	5.3
125.05989	0.5
125.09641	2.0
127.03926	3.4
127.07516	0.7
128.06145	0.5
129.06985	9.4
130.07631	0.5
131.08559	14.8
133.06500	2.3
133.10121	13.8
135.08014	0.9
135.11673	7.3
137.09570	1.3
137.13239	0.9
141.07002	0.7
142.07745	2.0
142.73462	0.5
143.08530	1.0
145.04950	3.3
145.10132	6.6
145.16412	0.5
147.08047	2.6
147.11682	15.1
149.09610	5.0
149.13249	4.3
151.11127	0.8
153.12762	0.7
155.08536	0.7
157.10120	11.1
159.11674	3.3
161.13292	3.3
163.06010	3.4
163.11096	1.2
163.14784	1.7
165.12752	3.1
169.10210	0.7
171.11554	0.6
173.13225	3.4
175.11174	12.6
175.14708	1.2
177.12787	0.4
177.16348	0.9
185.13182	0.8
187.14787	1.0
189.11295	0.6
193.12233	39.2
197.13275	0.5
211.13271	53.4
215.17903	0.5
227.12773	1.3
229.14273	0.9
243.21051	3.1
259.20541	0.6
261.22147	8.8
267.15884	13.1
285.16946	63.4
299.23682	0.8
301.21683	0.6
301.25241	1.1
317.24924	2.0
333.24133	0.7
335.25781	59.9
336.26080	0.8
348.17038	0.5
365.22995	0.4
391.28577	0.5
417.31668	0.8
435.27145	0.5
435.32578	2.2
453.33459	1.4
471.34692	1.4
509.36371	0.9
527.37250	13.6
545.38336	100.0
546.38782	2.0
563.39185	1.4
689.41492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5262
Annotation	Unknow
Peak:m/z	Relative Intensity
64.72072	1.9
67.05171	2.9
67.05510	35.2
69.03418	2.8
69.07060	8.9
69.31177	16.4
69.31603	8.5
71.05000	3.2
79.05505	29.6
80.37170	2.2
81.03423	32.7
81.07063	40.6
83.04983	9.1
83.08622	14.3
85.02921	19.5
91.03963	6.1
91.05484	24.2
93.07042	29.2
95.04963	14.3
95.08617	28.6
97.02902	5.4
97.06526	4.4
97.10178	3.5
98.21440	4.7
99.04484	2.2
105.07050	18.2
107.04954	4.4
107.08583	13.8
109.06531	3.1
109.10148	11.2
111.04469	2.2
111.08085	7.1
117.07040	4.3
119.08597	14.8
121.10143	17.3
123.11764	3.9
125.09644	2.3
129.07025	7.4
131.08566	10.0
133.10123	15.0
135.11705	6.2
142.07803	2.4
145.10115	6.2
147.11722	15.5
149.09627	3.0
149.13246	4.8
157.10156	8.0
159.11711	3.0
161.13324	2.7
163.11145	2.5
173.13322	5.6
175.11220	7.6
177.12787	2.4
179.26212	2.4
180.32433	2.3
193.12267	15.6
195.57796	2.2
211.13333	24.4
243.21008	3.4
261.22141	6.2
265.42743	2.2
267.15820	10.9
268.32089	2.3
280.21307	2.3
285.16962	35.2
335.25818	57.1
336.26007	3.4
453.33081	3.0
527.37408	19.6
544.37476	2.7
545.38367	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	902.5108
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	1.7
67.05506	33.1
67.05850	1.2
69.03441	2.6
69.07069	9.4
70.18521	2.6
71.05005	2.5
71.08603	0.9
73.02921	2.5
77.03868	0.6
79.05496	28.3
79.43764	0.5
81.03440	4.1
81.07057	38.1
82.07362	0.5
83.01321	1.4
83.04977	4.2
83.08614	9.6
85.02905	6.8
85.06501	1.2
91.03966	3.8
91.05478	14.4
91.20356	0.5
93.07046	42.7
95.04467	0.5
95.04963	6.6
95.08607	41.6
97.02897	6.0
97.06531	4.7
97.10107	2.1
99.04446	3.5
103.05437	0.6
105.06396	0.7
105.07030	11.1
107.04961	7.3
107.08597	29.8
109.06503	2.8
109.09480	0.8
109.10154	11.7
111.04401	1.6
111.08067	1.6
113.05961	0.6
117.07014	8.7
119.07818	0.8
119.08581	12.8
121.06481	4.1
121.09346	1.1
121.10147	17.0
123.08045	2.5
123.11710	3.6
125.05945	2.4
125.09604	1.4
127.03975	1.1
129.06940	1.2
130.07718	1.6
131.08537	5.9
133.10141	5.4
135.08017	1.8
135.11693	41.3
135.31360	0.5
136.11980	1.0
137.09593	1.0
137.13210	1.4
139.07472	1.2
143.08530	1.4
143.91003	0.6
145.04916	2.0
145.06454	0.5
145.10123	25.4
147.07973	0.8
147.11671	3.4
149.09618	0.7
149.13284	3.0
153.12729	2.0
155.08510	0.7
156.81908	0.5
159.11726	2.7
161.13275	2.7
163.05991	1.7
163.11183	53.2
163.14781	2.2
164.11461	1.0
173.09590	1.4
173.13280	2.6
175.14799	0.7
181.10756	0.8
181.12244	10.2
187.14819	1.6
189.11160	0.9
191.10680	1.0
193.12140	0.9
209.11652	1.8
227.12778	57.3
227.43579	0.5
228.13066	1.1
233.34718	0.5
243.21014	3.2
259.20737	0.7
261.22174	10.1
264.62259	0.6
267.15811	1.4
267.33932	0.6
283.15396	100.0
284.15753	2.2
294.86508	0.5
299.23685	1.1
313.27420	1.2
317.24722	2.5
333.24133	0.8
335.25793	85.0
336.26266	2.8
451.31985	1.0
469.33206	0.9
505.38638	0.6
525.35858	2.0
543.36829	96.4
544.37170	4.0
547.80719	0.6
561.38037	2.7
637.95172	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	1.5
67.05506	19.0
69.03420	5.8
69.07066	8.0
70.02453	1.0
71.04987	4.2
71.60198	1.8
71.88338	1.0
79.05499	25.7
81.03421	78.5
81.07058	30.1
82.29323	1.3
83.04980	16.1
83.08621	22.4
85.02901	20.6
85.06535	2.6
87.89848	1.4
91.05484	36.0
93.07045	21.0
95.04974	29.0
95.08604	9.1
97.02909	4.1
97.06538	3.7
97.10188	5.5
99.04451	2.6
105.06380	2.3
105.07033	25.7
107.04964	9.4
107.08604	8.8
109.02904	6.8
109.06533	7.9
109.10165	2.4
111.04433	2.0
111.08089	10.3
113.06049	2.2
115.05444	1.8
117.07051	2.5
119.04929	1.4
119.08582	20.0
120.08943	1.3
121.06477	2.2
121.10139	10.7
123.08047	2.3
123.11722	1.4
125.09613	1.6
126.55164	1.1
127.03918	13.0
129.07022	15.2
131.08577	11.6
133.06485	2.7
133.10139	17.5
137.09665	1.8
142.07784	3.6
145.10143	3.7
147.08080	3.8
147.11694	17.4
149.09688	6.2
157.10126	16.4
163.11195	1.4
165.12717	3.2
175.11195	19.7
193.12254	58.3
194.12617	1.6
211.13301	100.0
229.14420	2.5
267.15909	30.4
285.16974	70.6
287.05246	1.3
301.14383	2.3
319.15317	2.3
337.16486	3.5
355.17554	10.3
373.18530	1.7
385.23825	3.4
423.84930	1.3
459.27399	19.4
477.28448	20.0
494.10538	1.2
495.29572	55.1
574.86279	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	902.5106
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03929	1.2
67.05508	27.8
69.03416	2.9
69.07075	7.9
69.99864	4.5
71.04999	1.8
71.08659	1.3
73.02929	2.9
79.05061	1.4
79.05498	21.4
81.03428	7.3
81.07059	29.6
83.01325	5.1
83.04992	5.7
83.08616	9.5
85.02909	14.7
91.03957	6.4
91.05483	15.0
93.07044	27.0
95.04981	6.3
95.08610	20.4
97.02873	6.9
97.06536	2.2
97.10177	3.8
99.04506	2.1
99.08037	0.9
105.07038	10.0
107.04969	3.0
107.08601	16.6
109.02853	1.2
109.06541	3.3
109.10185	7.1
111.04441	1.4
111.08086	1.8
111.11742	1.0
117.07045	5.6
117.29915	1.0
119.08576	8.5
121.06522	1.7
121.10152	13.2
123.08042	4.6
123.11711	3.3
123.90980	0.8
125.09651	2.1
127.03921	3.8
129.07043	1.9
130.07759	1.5
131.08582	7.7
133.10114	5.9
135.08063	1.6
135.11707	14.3
136.06195	1.8
137.09506	1.4
137.13277	1.3
143.08531	1.5
145.04971	4.7
145.10126	13.1
147.08035	1.6
147.11702	2.9
149.13284	3.7
153.12740	2.3
155.08569	1.6
157.10191	1.1
159.11710	5.3
161.13292	1.7
163.06007	6.8
163.11183	13.3
163.14845	1.5
165.12724	1.1
169.10254	1.1
171.11717	1.4
173.09633	2.0
173.13202	4.4
175.11180	1.4
175.14854	1.1
181.12224	2.1
187.14774	1.6
189.11266	2.4
191.10643	2.5
193.12347	1.6
209.11757	3.7
211.13264	1.5
227.12775	10.8
243.21138	4.0
259.20703	1.8
261.22134	13.5
267.15958	3.8
268.16202	1.5
273.22125	1.0
283.15405	100.0
284.15576	1.7
299.23700	4.0
313.27518	3.0
314.27609	2.6
315.27914	1.1
317.24753	3.7
333.24261	3.2
335.25800	70.0
336.26227	1.8
433.30981	1.3
451.32202	4.8
469.33029	3.6
487.34360	2.1
506.38889	2.6
507.39847	1.7
515.37372	1.6
521.69550	1.1
525.35742	8.2
543.36847	74.0
544.37335	2.2
561.37799	7.7
638.70599	1.0
639.78015	1.0
741.81445	1.2
902.46704	1.3
903.48059	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	902.5111
Annotation	Unknow
Peak:m/z	Relative Intensity
66.28766	1.1
67.05508	27.6
69.03430	2.4
69.07069	6.5
69.41273	12.4
71.04996	4.5
71.08653	1.7
73.02918	3.8
79.05495	22.1
81.03428	13.1
81.07062	30.4
83.01344	6.5
83.04980	6.7
83.08621	9.5
85.02911	15.0
85.10175	1.3
91.03945	8.0
91.05486	16.3
92.47058	1.2
93.07049	31.7
93.07629	2.0
95.04967	7.2
95.08611	24.4
96.04546	1.3
97.02887	6.7
97.06551	4.7
97.10159	3.2
99.04479	1.5
100.47358	1.3
105.07031	12.4
107.04978	3.7
107.08593	21.2
109.06531	4.1
109.10170	11.2
111.08083	2.2
117.07027	6.6
117.35153	1.4
119.08595	12.6
121.06528	2.9
121.10149	14.8
123.08076	6.8
123.11703	3.7
125.09660	4.2
127.03892	2.9
129.06996	1.8
131.08592	7.8
133.10147	6.1
135.11722	16.4
136.06166	1.9
145.04973	4.7
145.10109	14.8
147.08090	1.6
147.11703	4.9
149.13213	3.7
153.12759	2.3
157.10074	2.1
159.11693	4.6
161.13272	2.5
163.06061	6.5
163.07211	1.2
163.11197	14.2
163.14783	1.9
173.09705	2.4
173.13321	3.5
181.12256	2.3
187.14790	1.9
189.11276	2.2
191.10658	2.1
193.12273	3.4
201.16354	1.4
209.11754	5.1
209.71013	1.4
211.13324	1.6
227.12814	10.0
243.21143	5.5
259.20584	1.6
261.22165	16.0
265.14529	1.5
267.15921	7.8
268.16263	3.3
283.15417	98.5
299.23587	6.2
313.27328	5.2
314.27716	2.6
315.27823	1.4
317.24741	4.9
333.24335	2.4
335.25824	87.6
336.26199	1.4
341.79697	1.2
433.31180	2.2
441.33252	1.5
451.32019	3.0
469.33136	4.1
487.34570	2.8
505.38925	1.7
506.39084	4.5
507.39764	3.9
515.37213	2.0
525.35760	10.3
542.77777	1.3
543.36865	100.0
544.37109	3.5
561.37817	7.6
644.20056	1.6
681.45154	1.3
902.48608	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	900.5313
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	1.4
67.03652	1.7
67.05508	35.4
68.33548	1.2
69.07062	7.7
69.38548	14.3
71.05001	1.7
79.05499	39.0
79.05959	1.9
81.03409	5.2
81.07054	31.7
83.04972	7.5
83.08623	4.5
85.02905	3.0
85.06518	1.8
86.87664	1.3
87.70667	1.3
91.03967	2.9
91.05484	30.2
93.07045	47.2
95.04964	11.1
95.08609	26.1
96.48401	1.3
97.02903	1.3
97.06509	2.5
97.10157	1.4
100.30560	1.3
105.04552	1.5
105.07032	24.3
107.04956	2.9
107.08582	15.1
109.06492	3.1
109.10171	8.5
111.08076	1.8
115.67049	1.3
117.07010	5.1
119.08592	17.5
121.06506	1.9
121.10152	8.8
123.08008	2.2
123.11691	2.5
129.06996	8.2
131.08543	3.7
133.10155	7.1
135.11708	4.7
143.08585	5.0
144.94960	1.5
145.10114	8.1
145.81990	1.5
147.07957	1.7
147.11697	20.6
159.11697	2.3
161.13252	7.7
171.11658	13.8
173.13307	2.6
181.12143	1.5
189.12773	3.8
207.11821	2.1
207.13760	16.3
210.07503	1.4
243.21089	1.7
261.22086	4.3
279.15878	3.4
281.17480	56.4
313.27271	2.1
335.25824	34.1
384.95889	1.7
541.38934	100.0
542.38989	3.4
559.39832	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	900.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
62.54030	1.1
65.03920	2.1
65.90704	1.2
67.05503	30.3
69.03423	10.5
69.07067	8.8
71.01356	2.0
71.04993	7.5
71.59790	1.1
71.60211	1.3
79.05492	44.1
81.03416	86.9
81.07054	35.7
83.01342	6.5
83.04980	27.2
83.08620	31.7
85.02903	25.9
85.06532	1.8
91.05482	45.4
93.07043	37.9
95.04970	37.7
95.08608	14.4
97.02878	10.7
97.06528	6.9
97.10159	5.5
99.04469	4.6
99.08083	2.0
103.00255	1.5
103.05448	1.3
105.07029	30.8
107.04952	15.5
107.08583	16.2
107.59496	1.1
109.02868	9.4
109.06510	7.4
109.10164	5.2
111.04466	4.9
111.08099	13.5
113.05973	2.5
115.05467	1.6
115.13901	1.1
117.06999	7.9
119.08579	29.3
121.06532	4.0
121.10147	15.3
123.08077	7.5
123.11715	1.1
125.06004	1.6
125.09648	3.5
127.03919	18.4
128.06281	1.6
129.06999	13.0
129.51878	1.2
130.07777	1.1
131.08569	18.9
133.06500	4.0
133.10109	17.4
135.11674	6.3
137.09679	2.8
142.07808	3.6
145.10129	14.9
147.08073	5.9
147.11696	18.5
149.09639	9.0
153.12663	1.9
156.29659	1.1
157.10123	17.5
163.11169	17.0
165.09174	1.2
165.12785	3.9
173.09615	3.2
175.11172	18.2
181.12244	1.8
184.78383	1.1
193.12244	57.6
209.11742	5.4
211.13281	100.0
212.13547	1.5
227.12785	6.0
229.14407	2.0
267.15915	21.7
283.15399	41.5
285.16956	64.5
337.16422	2.7
353.16016	6.0
355.17471	9.4
373.18448	2.7
383.22375	1.6
457.25699	2.6
459.27383	9.4
475.27029	11.3
477.28412	9.5
478.29041	1.6
493.27972	69.6
494.28052	2.3
495.29608	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.521
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	6.3
69.03410	1.2
69.07050	2.7
69.34474	6.3
71.01331	0.7
71.08289	0.7
71.08635	10.1
73.02905	1.0
76.11691	0.6
79.05486	2.9
81.03413	1.6
81.07056	8.7
83.04948	1.0
83.08627	7.6
85.02897	6.9
85.06556	0.6
85.10194	6.1
91.03961	5.3
91.05473	6.7
93.07040	4.9
95.04964	1.4
95.08153	0.6
95.08614	7.8
97.02880	4.5
97.06516	1.6
97.10181	3.0
99.00817	6.1
105.07043	4.1
107.04961	2.5
107.08584	2.6
109.02898	3.4
109.10160	5.7
109.36831	0.5
111.08053	1.8
115.03950	0.9
117.07047	1.0
118.46162	0.6
119.08591	3.3
121.06494	2.7
123.11678	2.5
127.03906	2.9
131.08562	1.2
133.06418	0.9
133.10130	18.0
135.08015	0.7
137.05998	1.0
139.07494	1.4
143.08546	1.6
145.04936	2.1
151.11179	5.5
151.12274	1.1
161.09622	9.0
163.06017	2.3
171.08020	1.8
179.10683	4.9
189.09033	4.6
197.11688	1.9
207.10138	2.3
225.11224	5.0
239.23775	0.8
243.12355	0.9
257.24841	0.8
281.13742	3.2
299.14886	100.0
300.15384	1.1
313.27365	73.3
314.27655	0.9
537.37860	55.5
538.38245	1.7
603.06219	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.0
69.03437	3.1
69.07073	0.4
70.06606	0.4
70.88949	0.8
71.01378	0.6
71.04988	1.3
73.02920	3.1
74.31685	0.3
79.05493	2.4
81.03415	4.9
81.07058	2.0
83.04980	0.9
83.08617	1.0
85.02901	7.0
85.06573	0.3
86.09715	1.1
87.04450	0.4
91.03959	3.9
91.05489	2.8
93.07041	1.9
95.04974	2.0
95.08604	1.0
97.02898	5.3
97.06538	0.7
97.10171	0.3
101.02353	1.8
103.03957	0.5
105.07016	1.7
107.04942	0.7
107.08612	1.1
109.02888	0.9
109.06538	0.4
111.08095	0.7
113.06067	0.4
119.08578	1.6
121.10141	1.5
127.03890	1.5
129.05519	0.4
129.07059	0.8
131.08603	1.2
133.10155	1.0
142.07857	0.4
145.05026	0.6
147.08121	0.4
147.11749	0.9
149.09666	1.2
157.10185	1.4
166.65526	0.3
175.11224	0.9
185.04260	0.5
193.12250	2.8
203.05321	0.8
211.13316	0.8
235.13405	0.4
243.08401	1.8
249.14818	0.4
251.12653	0.5
264.41275	0.3
267.16083	1.3
269.12506	0.8
271.06122	0.5
283.06085	0.5
283.15173	2.5
285.10336	0.6
307.15265	0.4
339.17984	0.7
347.09387	3.2
363.09235	0.3
365.10822	1.4
405.13782	5.7
469.20432	7.8
501.23053	8.7
567.31549	0.6
631.25696	7.8
663.28247	9.0
664.79797	0.4
729.36255	3.7
891.41919	100.0
892.42108	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	887.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88080	0.3
67.05517	1.7
69.03442	3.3
69.07072	0.5
71.08623	1.8
71.33727	0.3
71.62290	0.5
73.02924	2.8
73.88257	0.3
79.05505	1.0
81.03422	2.8
81.07055	2.4
83.04993	0.6
83.08619	1.2
85.02911	5.4
85.10188	0.8
85.58206	0.4
87.04479	0.6
91.03959	3.5
91.05507	1.5
91.47813	0.3
92.74429	0.4
93.07049	0.9
95.04974	0.8
95.08630	1.3
97.02904	4.7
97.10158	0.4
99.04487	0.8
101.02368	1.9
105.07047	1.0
107.08611	0.5
109.02898	1.0
109.10181	1.1
112.26935	0.4
119.08585	0.6
121.10178	0.5
127.00966	0.4
127.03960	1.6
131.08517	0.4
133.10152	0.4
140.50623	0.3
147.11723	0.8
149.08652	0.4
149.09749	0.4
152.32869	0.3
157.10130	0.6
175.11124	0.4
185.04271	0.8
193.12343	1.1
196.97849	0.4
203.05388	1.1
211.13432	0.5
243.08380	1.6
257.68600	0.4
269.17667	0.4
285.17053	0.4
293.74448	0.4
307.15189	0.4
313.27625	0.5
325.80228	0.3
347.09491	2.0
365.10892	0.8
405.13626	4.5
455.23123	0.7
469.20465	7.5
497.31039	4.4
631.25824	7.0
635.97266	0.4
659.36212	4.9
725.44470	2.4
807.92761	0.4
834.18573	0.4
842.81616	0.4
861.67334	0.4
887.49744	100.0
888.49664	3.9
914.55029	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03946	0.8
67.05502	13.8
69.03419	3.3
69.07061	3.3
70.89297	1.1
71.05000	2.3
73.02922	1.1
79.05492	14.3
81.03416	62.9
81.07055	15.5
83.04978	7.6
83.08617	18.6
85.02904	10.1
85.06554	1.3
85.32312	0.4
87.04458	0.5
91.03972	2.0
91.04900	0.7
91.05478	17.4
93.07048	10.9
95.04966	23.8
95.08607	5.7
95.74128	0.4
97.02875	2.6
97.06524	2.9
97.10174	5.1
98.21362	0.5
99.08078	0.9
103.05473	0.5
105.03425	0.4
105.07025	13.1
107.04955	7.0
107.08590	6.1
107.68534	0.4
109.06517	4.0
109.10141	4.4
111.04428	2.1
111.08078	7.5
113.06026	1.0
115.05440	1.5
117.06999	2.3
119.04931	1.1
119.08575	13.7
121.06490	3.3
121.10142	7.6
122.71587	0.5
123.04434	1.0
123.08059	2.3
123.11744	0.8
125.09647	4.0
127.03883	1.0
128.06213	0.6
129.06999	9.0
131.04901	1.5
131.05835	0.4
131.08559	9.2
133.06500	3.2
133.10124	7.7
135.08081	1.2
135.11678	1.1
137.06026	0.5
137.09599	2.3
141.06961	0.8
142.07762	2.2
143.08572	1.5
145.05008	1.2
145.06491	4.6
145.10112	2.7
147.04419	0.6
147.08049	3.6
147.11684	10.1
149.09607	5.5
151.07617	0.4
153.09088	0.8
155.08556	0.9
157.06464	0.7
157.10121	11.0
159.08107	0.9
159.11714	0.9
161.06013	0.7
161.09644	1.0
163.06012	1.1
163.11156	1.8
165.12787	2.6
167.08589	0.5
169.10176	0.5
171.08101	1.1
171.11674	1.0
173.05968	0.5
173.09602	1.3
175.11177	12.1
181.10149	0.8
181.12177	0.6
183.08017	0.6
183.11676	0.6
185.09608	0.7
187.11160	0.9
189.11206	1.7
189.12816	0.9
193.12242	31.6
195.11688	1.6
197.13290	1.2
203.14378	0.7
205.12257	1.2
207.13788	0.5
209.11665	0.7
211.11295	1.0
211.13269	12.8
213.12738	1.0
215.14301	0.7
217.12311	0.5
223.13243	0.7
225.12866	0.7
227.12750	1.5
227.14618	0.7
229.14285	1.3
231.13802	0.7
233.15352	1.3
235.13298	0.7
237.12720	0.7
239.14503	0.5
243.13643	0.5
249.14874	1.9
255.13905	2.5
267.15912	100.0
268.16385	1.1
273.14871	4.8
281.15213	0.5
283.15399	1.8
285.10220	0.5
285.16977	11.7
300.50006	0.6
301.14221	0.6
307.07062	0.4
309.16968	1.2
323.19699	0.5
333.17004	0.5
337.06329	0.5
339.23135	0.7
341.21136	2.1
349.21545	3.0
357.24258	0.8
367.22699	7.0
385.23764	9.2
403.24890	2.8
405.24289	0.8
415.24933	0.7
423.25354	0.7
433.25867	15.0
441.26306	7.5
459.27402	87.7
460.27676	1.2
477.28479	51.4
478.29034	0.7
482.11191	0.5
491.30154	0.8
501.28665	2.5
509.31711	0.9
519.29395	3.1
527.29004	0.7
529.13855	0.5
543.29480	0.7
546.36609	0.5
567.29437	1.3
573.30304	0.5
585.30511	2.2
603.31757	2.3
621.32166	1.5
905.56537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4812
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43635	0.6
66.86195	0.6
67.05510	2.0
69.03442	2.4
69.07076	1.2
71.01334	0.6
71.04986	0.8
71.08652	1.8
73.02926	4.8
76.40728	0.7
79.05495	0.9
81.03424	2.8
81.07074	2.5
83.04977	0.7
83.08636	1.0
85.02902	7.2
85.10181	1.1
91.03955	5.1
91.05483	0.9
93.07050	1.5
95.08629	1.6
97.02888	5.7
99.04454	1.2
101.02379	2.0
105.07050	1.0
109.02917	1.0
121.10131	0.8
127.03931	2.0
145.05072	0.9
163.11197	1.0
185.04364	1.0
243.08453	1.9
283.15607	1.3
313.27197	1.4
347.09351	3.3
365.10721	1.4
405.13635	6.4
405.17978	0.7
460.69794	0.7
467.18927	10.3
497.30801	4.5
587.99084	0.8
629.24231	8.9
659.36060	5.3
723.42859	2.8
885.48120	100.0
886.48523	6.4
892.13586	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.48322	0.3
65.03927	0.8
67.05506	9.6
67.23217	0.3
69.03414	1.5
69.07068	3.1
71.01353	0.7
71.04987	2.0
73.02908	1.2
79.05493	11.0
80.41489	0.3
81.03420	25.6
81.07056	9.0
83.01353	1.7
83.04984	5.3
83.08140	0.5
83.08622	9.0
85.02907	4.6
85.06556	0.4
90.77312	0.3
91.03954	1.9
91.05489	9.3
93.07048	11.1
95.04977	11.4
95.08600	5.0
97.02886	2.7
97.06528	1.4
97.10177	5.1
99.04450	1.1
105.04556	0.4
105.07039	6.6
105.49706	0.5
107.04965	5.4
107.07956	0.6
107.08600	6.2
109.02876	1.1
109.06535	3.1
109.10152	3.0
111.04434	2.0
111.08091	2.7
113.06001	0.5
115.05457	0.8
117.07020	3.9
119.08592	6.5
121.02946	0.5
121.06522	3.1
121.10153	4.5
123.04450	1.7
123.08064	3.6
125.02335	0.5
125.06030	0.6
125.09618	4.1
127.03954	0.9
129.07011	3.4
130.07811	0.5
131.04887	0.8
131.08569	5.0
133.06459	2.0
133.09270	0.4
133.10124	2.5
135.04417	0.9
135.08070	1.8
135.11697	4.0
137.05980	1.0
137.09610	1.2
141.06972	0.7
142.07829	0.8
143.08607	1.1
145.04948	1.2
145.06480	2.0
145.10129	5.9
147.04367	0.8
147.08041	2.5
147.11685	3.0
149.09622	2.2
153.12744	1.4
155.08572	1.1
157.06458	0.6
157.10153	3.4
159.04581	0.4
159.07974	0.8
159.11696	0.7
161.05975	3.0
161.09621	0.5
163.06033	1.1
163.07423	0.5
163.11206	7.9
165.12794	0.6
169.06479	0.4
171.08047	1.0
171.11723	0.8
173.06020	0.5
173.09648	3.0
175.07600	0.5
175.11215	3.0
181.12215	1.3
185.05818	0.3
185.09641	0.9
187.07579	0.6
187.11223	0.5
189.05556	0.3
189.09183	0.8
189.11221	1.3
189.12788	0.6
191.10710	1.4
193.12244	6.4
195.11763	0.5
197.09631	0.6
197.13533	0.3
199.11278	0.5
205.12224	1.1
209.09862	0.4
209.11629	1.6
211.11121	1.1
211.13361	1.0
213.12753	0.6
215.14238	0.4
218.41725	0.3
219.10085	0.4
225.12970	0.6
227.12630	2.0
229.12244	0.4
231.13872	1.5
235.11108	0.5
235.13309	0.7
243.13837	1.4
249.14850	0.6
255.13884	0.4
257.15320	0.5
259.13348	0.7
265.14310	0.5
267.15921	14.9
269.15356	0.9
271.13330	1.5
273.14801	2.6
283.15411	13.3
287.05554	0.5
287.16461	0.7
289.14294	2.7
301.14182	0.5
309.17139	0.7
323.09723	0.4
337.21716	0.7
347.20126	0.8
355.22708	2.2
365.21201	3.5
373.23816	0.4
383.22162	9.5
401.23187	5.0
407.24310	0.4
419.24301	1.2
421.23837	0.5
431.24307	0.8
436.18628	0.9
439.25015	1.5
457.25873	20.2
457.51678	0.4
458.26358	0.4
475.26947	100.0
476.27444	2.5
493.27936	10.9
499.26938	0.5
517.28027	3.4
541.27979	1.4
571.28870	0.9
583.29114	1.0
600.40973	0.6
601.29993	1.3
618.41705	0.4
619.30835	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	882.5418
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.6
66.63136	0.3
67.05504	11.8
69.03430	2.2
69.07065	6.1
70.22556	0.9
70.22952	0.9
71.04996	1.9
71.08632	16.3
71.63151	0.3
72.51393	0.4
73.02882	1.7
79.05064	0.4
79.05493	7.1
81.03419	23.5
81.07058	15.7
83.04983	5.3
83.08619	15.9
85.02908	15.8
85.03422	0.8
85.06512	0.6
85.10183	9.1
87.04450	0.7
89.06027	0.5
91.03415	0.4
91.03956	4.7
91.05482	12.0
93.07046	7.0
95.04380	0.8
95.04968	10.7
95.08607	14.4
96.04523	0.3
97.02893	5.0
97.06492	1.5
97.10173	5.0
99.04432	0.5
99.08071	0.8
99.11689	0.5
101.40136	0.4
103.07533	0.4
105.06390	0.5
105.07034	8.1
107.04951	2.3
107.08595	3.1
109.06475	1.6
109.10153	6.4
111.04400	1.0
111.08089	4.6
111.11689	0.7
113.05958	1.0
115.11921	0.3
117.07005	0.8
119.08582	7.4
119.09419	0.3
121.06532	0.6
121.10135	3.7
123.08092	0.8
123.11716	2.9
125.09585	0.5
125.13222	0.4
127.03919	2.5
128.06152	0.4
129.07007	4.2
131.08577	5.4
133.06483	0.9
133.10130	5.0
137.09592	0.6
137.13205	0.9
142.07727	1.4
145.04977	2.1
145.10196	0.5
147.07999	1.2
147.10637	0.6
147.11682	6.3
149.09605	3.0
157.10129	6.7
163.05981	2.3
163.11165	0.6
165.12793	1.9
174.26915	0.4
175.11188	7.2
193.12247	19.7
211.13295	23.0
239.23717	1.5
249.14822	0.5
257.24780	1.4
267.15927	12.0
268.16367	0.4
285.16971	34.0
298.27399	0.4
313.27368	66.0
314.27664	0.9
505.38910	17.3
523.39954	100.0
524.40240	1.2
620.62415	0.4
667.43457	0.7
854.74872	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	6.3
67.05498	7.9
69.03407	2.6
69.07066	5.3
71.08639	11.9
71.61501	2.7
71.92200	1.7
73.02924	2.6
75.52394	1.9
79.05498	9.2
81.03391	4.3
81.07050	10.3
83.01340	4.5
83.04984	3.8
83.08617	6.6
85.02908	13.3
85.10186	8.5
89.61755	2.0
91.03951	6.2
91.05463	6.9
93.07053	10.7
95.04945	3.2
95.08583	12.6
97.02887	6.3
97.10181	4.6
99.04450	2.6
105.07030	3.7
105.77949	1.9
107.04967	4.3
107.08569	4.7
109.06512	5.4
109.10146	4.6
111.80166	1.9
112.55548	1.9
117.07001	4.1
119.08603	4.1
121.10149	4.3
123.08063	4.2
127.03884	2.6
135.11659	5.6
145.04922	2.5
145.10095	10.6
163.05928	3.1
163.11171	13.0
209.11807	3.9
241.58784	2.1
283.15387	100.0
308.99826	2.0
313.27359	63.8
429.50815	2.2
521.31189	3.3
521.38440	46.0
521.45593	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	882.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	15.4
69.07059	8.5
69.67297	12.4
71.04984	2.8
71.08630	17.4
73.02905	2.8
79.05495	13.9
81.03423	29.4
81.07056	20.5
83.04976	7.9
83.08616	16.0
85.02905	22.7
85.10172	10.8
91.03954	5.8
91.05482	15.1
93.07064	8.7
95.04986	12.0
95.05482	1.8
95.08615	17.8
97.02873	7.5
97.06517	2.1
97.10188	3.6
98.20740	2.4
105.07030	7.0
107.04894	3.0
107.08614	4.0
109.06517	2.2
109.10153	7.6
111.08093	7.7
115.05415	2.2
119.08573	9.5
121.10159	4.3
123.08157	2.4
123.11739	3.3
127.03931	2.6
129.07025	3.9
131.08549	8.7
133.10130	7.7
145.04967	3.9
147.08005	2.4
147.11682	8.1
149.09601	4.0
157.10130	6.8
163.06140	2.2
163.11211	2.1
173.96034	1.7
175.11180	7.6
185.71626	1.8
186.83018	1.7
193.12218	25.6
211.13304	33.2
267.15945	13.8
274.38901	1.7
285.16968	57.0
313.27371	69.3
505.38876	15.3
523.39948	100.0
524.40210	2.2
534.09149	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	880.5256
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	10.3
67.05505	17.2
69.03429	2.8
69.07059	6.6
71.08630	17.8
71.60825	3.7
73.02904	3.3
79.05486	9.5
81.03413	9.6
81.07053	16.9
83.01331	5.1
83.04984	5.1
83.08604	12.0
83.98977	2.3
84.97205	2.2
85.02911	16.2
85.10178	8.8
89.48735	2.2
91.03938	9.1
91.05482	6.6
93.07028	16.3
95.04945	5.3
95.08597	20.7
97.02882	9.1
97.06509	4.7
97.10147	6.7
105.07034	5.4
107.04913	4.3
107.08572	7.9
109.06480	2.8
109.10144	7.2
114.17998	2.8
117.07017	5.2
119.08581	5.1
121.10131	5.3
123.08060	4.9
123.11723	2.6
126.20112	2.7
127.03924	5.4
133.10124	3.6
135.11685	7.3
145.04903	3.5
145.10097	13.3
163.06027	3.9
163.11108	17.7
209.11867	2.6
219.88976	2.4
227.12787	2.9
260.94443	2.8
275.69070	2.9
283.15396	92.4
283.18521	5.3
313.27350	100.0
314.27649	3.3
521.38403	97.3
522.38348	3.5
880.50220	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	870.4328
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	13.9
63.49808	0.5
65.03925	2.4
67.05500	41.8
69.03074	0.8
69.03426	11.6
69.07063	9.7
70.04205	0.7
71.01344	1.9
71.04993	6.0
71.60035	0.8
73.02911	8.8
74.03675	0.7
77.03914	1.0
79.05487	42.5
80.06271	0.8
81.03413	87.7
81.07050	39.4
82.04194	4.8
83.04565	0.7
83.04975	26.7
83.08614	33.2
84.02135	1.0
85.02899	41.0
85.06541	4.1
87.04453	1.8
91.03957	10.3
91.05475	43.7
93.07038	29.0
94.04181	0.7
94.07834	1.3
95.04961	41.1
95.08598	15.9
96.05743	1.0
96.94497	0.5
97.02882	15.3
97.06525	11.1
97.10162	15.6
97.10770	1.0
98.07304	5.7
99.04483	2.6
99.08127	2.6
101.02378	0.7
101.06035	1.1
103.03934	0.9
103.05492	0.9
105.04509	0.5
105.07025	27.7
106.74853	0.6
107.04948	13.8
107.08591	18.5
109.02878	2.3
109.06515	8.5
109.10149	15.4
110.07262	0.8
111.04431	5.6
111.08073	16.9
113.05997	2.9
115.03959	1.3
115.05451	2.1
115.07561	0.6
115.11327	0.5
116.04706	10.3
117.05474	0.9
117.06998	6.2
119.04913	1.4
119.08572	27.2
120.05842	0.5
120.09371	0.8
121.02840	0.5
121.06482	4.8
121.09308	1.0
121.10143	13.8
121.11024	0.7
123.04455	0.8
123.08054	7.4
123.11703	2.2
125.06010	1.1
125.09626	18.2
126.10384	0.8
127.03906	5.1
127.07556	0.9
127.11179	1.7
128.06224	0.9
129.05478	28.0
129.06967	13.5
131.04947	0.8
131.07590	0.9
131.08562	16.2
132.09293	0.6
133.06493	3.7
133.10126	16.7
134.99791	0.5
135.04456	0.7
135.08057	3.3
135.11679	6.4
136.08820	1.3
137.05965	1.0
137.09625	3.8
137.13255	1.0
139.07562	1.0
142.07761	3.7
143.07037	6.6
143.08151	0.8
143.10674	1.5
145.04924	4.3
145.05936	0.4
145.06483	0.7
145.10104	6.8
147.08041	7.1
147.11685	21.5
149.09607	10.3
151.11241	1.2
153.09111	2.2
153.12750	4.0
155.08546	1.4
155.10614	0.7
157.08612	14.2
157.10130	19.5
158.05759	1.9
161.09673	0.7
163.06038	4.0
163.11179	10.8
164.11862	0.8
165.12741	4.2
171.06503	3.2
171.10158	4.5
173.04410	1.0
173.09604	2.0
173.11749	5.5
175.11174	21.3
181.12212	4.6
181.53500	0.5
183.11638	0.6
185.08096	1.2
185.11681	1.2
189.11223	8.9
191.10635	4.4
193.12230	75.3
194.12547	0.8
199.09659	1.6
199.13281	19.5
200.14085	2.5
201.12831	0.6
201.14774	1.2
209.11710	12.5
209.13609	0.7
210.12520	1.4
211.13281	100.0
212.13612	0.9
213.12820	0.6
217.14279	0.7
220.83131	0.5
223.13309	0.7
227.12773	18.3
229.14331	5.9
231.13817	0.7
241.14362	0.6
242.15195	0.8
247.13324	5.4
249.14932	1.9
255.12164	0.7
255.15910	3.7
259.13251	0.6
265.14453	2.4
267.15900	36.4
268.16336	0.7
269.17517	0.7
283.15390	22.0
284.16089	1.8
285.16953	69.5
286.17249	0.7
301.16434	62.8
311.18649	0.9
311.22113	0.8
321.16983	1.9
335.22281	0.7
339.18002	2.8
339.21637	0.7
353.19708	0.6
367.21353	0.6
383.22308	0.9
385.23758	0.9
391.24548	1.0
395.24319	0.6
409.25867	7.6
410.26337	0.7
421.25659	3.3
427.26880	9.3
429.21573	0.7
439.26892	31.4
440.27271	0.6
457.25766	0.7
458.26559	1.2
459.27426	5.0
475.26984	8.3
476.27750	3.9
477.28494	5.1
493.27942	31.3
494.28714	7.6
495.29895	0.9
503.06839	0.6
511.29016	79.9
512.29230	2.0
655.33459	1.6
854.96082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	12.3
65.03947	1.1
67.05506	21.7
68.77467	0.6
69.03435	5.0
69.07072	6.2
69.97620	1.7
69.98011	2.0
71.01349	1.9
71.04993	3.7
73.02921	7.8
77.83580	0.7
79.05498	24.4
79.05963	1.3
81.03421	18.6
81.07063	18.2
82.04193	2.6
83.01346	6.7
83.04985	15.1
83.08618	12.3
84.02132	1.2
85.02907	16.6
85.06537	1.4
91.03960	8.5
91.04909	0.7
91.05484	17.2
93.07048	22.7
94.07827	0.7
95.04977	14.5
95.08611	10.0
96.05759	0.7
97.02904	9.2
97.06536	8.6
97.10177	9.1
98.07331	4.3
99.04465	3.0
105.07037	10.7
107.04955	9.0
107.08596	15.4
109.02928	0.9
109.06520	6.9
109.10159	6.5
111.04449	3.2
111.08084	4.1
115.05499	0.7
116.04716	8.1
117.05523	1.0
117.07018	8.1
118.07835	0.8
119.08594	8.9
121.06519	4.0
121.10129	7.5
123.08072	9.3
125.06023	1.6
125.09631	11.7
127.03942	3.7
127.11164	1.0
129.05490	17.2
129.07028	2.2
129.78717	0.6
130.07811	1.3
131.08556	5.8
133.10132	5.7
135.08038	4.4
135.11696	11.8
136.43985	0.7
137.05963	0.9
137.09616	2.5
139.07539	1.2
143.07022	4.5
143.10681	0.8
145.04985	2.9
145.10121	13.7
146.84799	0.8
147.08102	2.5
147.11720	4.0
149.09627	2.6
151.11201	1.0
152.67915	0.7
153.09065	1.3
153.12740	5.1
154.92911	0.6
155.08562	2.0
157.08636	8.4
157.10132	2.5
158.05765	1.2
163.06058	3.9
163.07387	0.7
163.11188	23.6
165.12740	0.9
167.07053	1.0
171.06554	2.1
171.10205	3.0
173.09584	4.3
173.11772	1.1
175.11238	1.1
181.12253	5.0
185.11702	1.0
189.11201	5.3
191.10715	5.9
193.12215	4.1
199.13303	7.1
200.14064	2.3
201.14780	1.4
209.11742	11.1
210.12534	1.6
211.13292	1.2
227.12778	15.3
229.14412	1.4
255.16051	1.6
265.14365	1.7
267.15988	6.1
283.15414	84.3
284.15939	2.3
285.10062	0.9
285.16861	1.4
301.16476	66.0
302.16910	1.9
321.17029	0.9
337.16760	3.4
337.20184	0.8
365.19791	1.6
383.22366	1.4
407.24454	1.0
425.25323	4.6
436.24661	2.1
437.25375	11.2
453.25177	0.8
457.25891	3.1
473.29260	1.5
474.26053	3.2
475.26929	13.3
491.26447	7.1
492.27136	8.3
493.27997	3.1
509.27484	100.0
510.27902	2.7
527.28589	1.5
548.72180	0.8
551.11444	0.8
646.71265	0.9
653.32019	0.9
868.52240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02924	6.7
67.05505	1.9
69.03427	4.6
69.07060	0.7
70.06587	3.7
70.78209	0.2
70.78543	0.5
71.01353	0.7
71.04987	1.1
72.08167	0.4
73.02915	4.3
74.96718	0.2
79.05483	2.2
81.03416	5.9
81.07051	2.7
83.04980	1.3
83.08606	1.5
84.04510	0.2
85.02903	9.3
85.06532	0.4
86.09711	0.5
87.04490	0.3
91.03951	4.8
91.05479	3.3
93.07037	1.7
95.04957	2.2
95.08631	0.7
95.16386	0.2
97.02888	7.4
97.06547	0.6
97.10148	0.3
99.04449	1.2
101.02379	1.7
103.03957	0.7
105.07035	2.2
107.04990	0.7
107.08595	0.8
109.02865	1.2
109.06515	0.7
109.10150	0.5
111.04456	0.3
111.08100	0.9
113.06031	0.4
115.03935	0.5
117.07036	0.2
119.08575	2.3
119.96183	0.2
120.08172	0.3
121.10140	1.2
123.08109	0.5
123.11758	0.3
125.05959	0.2
127.03909	2.6
127.04671	0.2
127.08670	0.4
129.05533	0.2
129.06966	1.1
131.08548	1.1
133.06493	0.3
133.10127	1.9
136.06206	0.3
137.09659	0.3
141.49092	0.2
145.04973	0.6
145.10107	0.2
147.11688	1.9
149.09622	0.7
155.07013	0.2
157.10127	1.9
162.07761	0.5
163.11224	0.3
165.12811	0.4
169.13379	0.7
175.11224	1.2
185.04288	0.9
193.12247	3.3
193.13878	0.3
198.57454	0.2
203.05325	0.8
211.13274	2.2
212.13605	0.3
215.13991	0.7
243.08388	2.7
251.12581	2.0
259.08136	0.4
267.09076	0.5
267.16086	0.5
269.12402	0.5
271.08423	0.6
272.15997	0.3
285.09995	1.1
285.17072	0.8
286.10422	0.2
289.09430	1.3
290.09882	0.4
307.15091	1.5
324.61703	0.3
326.11508	0.8
326.61432	0.3
347.09439	2.8
359.15485	0.2
363.09012	0.6
365.10510	1.4
405.13669	6.9
438.18491	0.6
438.68765	0.4
439.18704	0.6
439.68811	0.4
440.18167	1.8
440.68207	1.5
441.18668	0.3
469.20441	20.3
470.21063	0.4
535.29199	0.3
631.25726	16.1
632.26123	0.7
697.34076	3.2
697.45886	0.2
859.39246	100.0
860.39691	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	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02927	5.8
65.03935	5.6
67.05506	94.6
69.03452	11.7
69.07068	51.2
70.09685	2.2
71.04981	7.7
71.62230	3.1
79.05496	74.0
79.05968	3.9
81.03425	17.3
81.07059	100.0
82.07377	2.7
83.05003	15.7
83.08631	24.1
85.02893	10.0
85.06561	7.2
86.40464	2.3
91.03954	3.9
91.05481	79.3
93.07045	85.3
95.04964	20.6
95.08608	55.7
97.02899	8.4
97.06534	23.0
97.10172	13.1
99.04475	4.4
99.08089	6.8
103.05444	3.8
105.07037	77.0
107.04977	11.4
107.08598	54.2
107.09297	4.7
109.02876	2.5
109.06497	10.4
109.10149	30.0
111.04453	4.0
111.08098	8.7
115.05444	4.1
117.07014	28.5
119.08585	55.4
121.06531	7.2
121.10136	30.3
123.08066	8.1
123.11701	7.7
124.43876	2.0
125.09618	13.7
125.58497	1.9
127.03938	4.9
128.06242	5.7
129.05469	4.4
129.06995	14.6
130.07788	2.6
131.08585	43.0
133.06494	2.5
133.10130	49.1
133.11092	4.0
135.08109	9.9
135.11710	19.2
137.09607	5.8
139.11093	2.2
141.06993	7.7
142.07861	2.8
143.08585	18.2
144.09515	2.6
145.06551	2.4
145.10139	33.9
147.08075	4.8
147.11691	32.5
149.09653	19.0
149.13260	14.6
151.11127	5.8
153.09007	2.5
155.08589	8.7
157.10117	22.4
159.11693	26.0
160.26949	2.1
161.09627	3.3
161.13228	15.7
163.11200	9.8
165.12796	2.2
167.08553	3.5
169.10088	10.0
171.11670	20.1
173.13263	15.5
175.11215	2.6
175.14874	7.5
177.12794	4.8
179.14339	5.9
181.10172	5.1
183.11690	9.5
185.13200	10.2
187.11191	2.9
187.14824	3.4
189.11240	6.0
189.12741	3.3
195.11719	5.2
195.13794	6.7
197.13293	7.6
199.14842	6.8
201.16359	2.5
205.12291	2.1
211.14874	4.0
213.16446	3.6
215.14368	3.3
223.14967	3.5
227.12703	11.9
227.17958	2.6
229.14360	5.9
229.19476	3.2
231.21030	2.7
235.14862	2.8
237.02666	2.3
239.17966	7.8
241.19565	9.7
253.14270	3.0
253.48222	2.6
254.14801	2.7
255.15881	6.1
257.18970	14.1
259.20636	25.6
262.20496	2.1
267.15857	3.0
269.17426	20.5
273.18521	3.5
275.20062	40.5
279.16223	2.3
287.19958	2.9
291.19608	6.6
293.21277	3.9
313.32031	2.7
315.23044	3.1
333.24231	24.6
335.26028	5.8
349.23865	29.6
365.23318	2.7
367.24713	4.4
421.30713	2.7
429.29831	2.7
433.31256	2.8
435.32819	2.8
449.29089	3.5
463.30798	5.5
487.34094	3.4
513.35895	22.9
515.38116	4.1
527.37366	22.3
533.39813	2.8
543.36969	14.1
607.43799	17.5
623.42908	4.9
625.44580	15.6
641.43805	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	856.5415
Annotation	Unknow
Peak:m/z	Relative Intensity
63.65862	3.3
65.03940	4.9
67.05167	6.1
67.05506	78.3
69.03430	12.1
69.07072	41.9
71.04987	6.6
71.59593	4.0
79.05497	67.9
81.03421	15.9
81.07065	100.0
83.04990	15.5
83.08615	24.4
85.02911	7.3
85.06586	3.9
91.05483	55.1
93.07048	72.8
95.04977	15.9
95.08604	54.6
97.02913	7.1
97.06526	23.0
97.10162	10.1
103.05438	3.9
105.07029	49.2
107.04960	11.5
107.08595	43.7
109.06526	10.3
109.10163	14.3
111.04464	3.1
111.08089	10.8
117.07032	19.6
119.08579	35.4
121.06504	6.8
121.10149	28.1
123.08068	5.0
125.09639	7.7
127.03914	5.2
129.07045	9.6
130.07916	4.4
131.08563	37.5
133.10123	32.4
135.08093	7.2
135.11667	21.3
137.09642	4.8
141.06921	3.4
143.08549	4.4
145.10136	27.8
147.11694	13.0
149.09633	23.5
149.13269	25.2
151.11174	8.4
155.08554	5.9
157.10150	10.5
159.11702	18.8
161.09677	5.2
161.13345	6.2
163.11205	14.7
169.10150	10.1
171.11665	5.6
173.13275	5.1
177.12729	5.3
179.14371	5.0
183.11769	6.2
185.13249	5.3
189.11192	6.9
195.13823	11.2
198.35336	3.4
225.78532	3.5
227.12883	13.5
239.18005	5.6
255.15869	21.0
257.19067	11.1
269.17502	68.5
275.20078	54.0
291.19495	5.7
293.20901	5.0
349.23798	52.5
367.24768	12.9
449.28961	36.3
451.31274	4.4
463.30505	48.9
525.35974	5.1
529.35120	11.7
543.36810	59.7
547.36353	4.1
561.37695	12.2
623.43109	8.4
641.43842	11.2
857.46045	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	854.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.2
65.03939	2.2
67.05506	52.9
69.03431	13.4
69.07069	34.7
70.53207	4.9
71.04991	4.2
79.05493	38.1
81.03428	10.2
81.07059	58.8
83.04984	10.3
83.08617	13.3
85.02895	4.1
85.06544	3.1
91.05482	36.3
91.94997	1.3
93.07045	45.9
95.04971	13.4
95.08612	26.5
97.02895	13.4
97.06523	9.9
97.10162	14.3
99.04488	1.3
103.05465	1.9
105.07038	27.8
107.04966	10.9
107.08595	31.8
108.71604	1.4
109.02872	1.6
109.06525	7.6
109.10168	17.6
111.04443	1.4
111.08057	6.2
113.06068	1.4
117.07019	14.3
119.04968	2.3
119.08588	21.8
121.06492	7.0
121.10151	15.2
123.08085	5.1
123.11710	4.2
125.09644	10.0
127.03947	3.0
128.06271	1.6
129.05484	2.1
129.07021	6.0
131.08571	20.8
133.06470	4.4
133.10144	24.4
135.08080	5.6
135.11674	10.7
137.09622	5.0
141.06958	3.0
143.08580	5.3
145.10133	15.3
147.08054	5.7
147.11726	8.3
149.09610	10.0
149.13258	11.5
151.11221	5.0
153.09142	1.8
157.10127	5.3
159.08000	1.4
159.11684	6.3
161.09641	2.9
161.13274	2.1
163.11160	6.6
169.12311	1.7
171.11717	2.6
173.13272	4.9
175.11278	3.4
175.14978	1.3
177.12746	5.2
179.14348	1.6
183.11647	1.6
185.13280	3.3
187.11237	2.1
188.98976	1.3
189.11205	5.2
189.12732	2.1
195.13841	4.0
197.13261	1.5
199.14864	2.3
205.12233	2.0
213.16583	1.7
223.13284	18.4
227.12712	8.5
229.19597	2.7
233.15173	1.4
239.17889	1.8
245.19051	3.0
249.14909	4.1
253.14348	12.4
255.15778	9.1
257.19006	4.9
267.15970	2.5
269.17474	31.7
273.18491	17.8
275.20081	17.5
291.19553	100.0
292.20013	3.6
293.21100	1.5
293.92554	1.4
309.20575	2.1
320.93927	1.5
325.17804	1.2
347.22229	5.7
349.23669	19.8
350.23865	1.6
365.23254	56.4
366.23804	2.5
367.24762	3.2
413.21970	1.7
541.35266	5.4
545.34686	19.1
546.35236	2.0
559.36316	93.4
560.36456	5.4
577.36823	1.5
599.38574	1.4
621.41132	2.1
639.42554	22.5
657.43250	5.3
854.45422	6.9
855.44879	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	854.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
59.73339	0.2
61.02922	11.7
64.22485	0.2
65.03934	1.4
67.05498	28.9
67.87936	0.3
69.03420	7.5
69.07059	8.1
69.26768	2.3
70.06573	0.3
71.01349	0.4
71.04984	6.1
72.18283	0.2
73.02913	4.1
73.06538	0.6
73.33215	0.3
77.03914	0.6
79.05487	28.6
81.03411	93.8
81.07049	33.8
81.07565	0.3
82.03732	0.5
83.04974	21.3
83.08611	32.4
85.02897	46.6
85.06535	2.4
87.04453	0.7
91.03952	7.8
91.05470	42.7
92.05764	0.3
93.06568	0.3
93.07033	23.0
95.04959	38.7
95.08595	12.9
97.02880	9.9
97.06516	5.1
97.10156	5.9
98.21519	0.4
99.04466	1.4
99.08068	1.5
101.06044	0.2
103.03955	0.4
103.05478	0.7
105.04508	0.5
105.07020	30.5
107.04949	10.1
107.08582	10.0
109.02891	0.8
109.06508	7.3
109.10142	3.5
111.04436	3.3
111.08069	14.1
113.05998	3.4
115.03904	0.7
115.05436	2.2
116.06235	0.3
117.07010	2.4
119.04926	0.8
119.08569	26.1
120.08942	0.3
121.06479	2.6
121.10133	12.0
123.04412	0.4
123.08058	3.9
123.11691	2.2
125.06003	0.6
125.09609	2.1
127.03930	2.4
127.07543	1.0
128.06230	0.9
129.06999	15.3
131.07094	0.3
131.08559	16.3
133.06491	4.6
133.10118	16.4
135.04559	0.3
135.08032	0.9
135.11682	0.9
137.05975	0.4
137.09601	2.7
137.13219	0.3
141.06970	0.5
142.07755	3.6
143.08461	0.4
145.04959	2.5
145.06448	0.7
145.10112	2.6
147.08046	4.5
147.11671	21.7
149.09605	9.7
151.07564	0.5
151.11169	0.8
153.09099	0.3
155.08539	0.5
157.10110	21.1
159.11635	0.4
163.05997	3.2
163.11163	1.6
165.12738	4.6
171.07983	0.3
171.11710	0.3
173.09537	0.3
175.11169	21.8
183.11632	0.3
189.11267	0.6
193.12227	60.1
194.12582	0.7
197.13330	0.3
211.13272	87.0
212.13623	0.7
227.12746	0.5
229.14355	0.5
233.15401	0.3
249.14796	1.2
255.13785	0.5
267.15887	47.4
268.16251	0.6
273.14868	0.7
283.35251	0.2
285.16931	89.0
286.17261	1.3
302.03513	0.2
349.21567	0.9
357.24390	0.3
367.22580	3.1
385.23660	4.5
386.89651	0.2
403.24667	1.7
415.24713	0.3
415.96213	0.3
429.21237	0.6
431.27747	0.3
433.25851	2.8
441.26300	2.3
459.27377	37.4
460.27664	0.7
477.28436	39.4
478.28741	0.9
495.29492	100.0
496.29837	2.8
621.32599	0.9
639.33594	2.6
727.62952	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	852.4218
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02929	5.9
65.03920	0.6
67.05503	10.4
69.03429	2.8
69.07072	3.1
71.01344	0.6
71.04999	2.9
72.39326	0.2
73.02917	2.3
79.05493	14.2
81.03419	29.2
81.07057	14.1
83.01347	3.6
83.04983	9.7
83.08618	12.5
85.02905	15.2
85.06509	0.9
91.03419	0.2
91.03961	4.0
91.05482	13.3
93.07043	16.1
95.04970	12.4
95.08605	5.6
95.49465	0.2
96.04449	0.3
97.02892	5.7
97.06539	3.1
97.10172	1.8
99.04457	1.6
99.08055	0.4
103.05405	0.3
105.07031	11.0
107.04954	6.7
107.08591	7.6
109.02859	0.4
109.06514	4.3
109.10143	1.5
111.04460	1.8
111.08083	4.2
113.05975	1.0
115.03871	0.6
115.05427	0.7
116.06218	0.3
117.07021	3.4
119.08580	10.3
121.06493	2.1
121.10142	6.6
123.04449	0.3
123.08076	5.0
123.11666	0.6
125.05956	0.8
125.09608	1.3
127.03911	1.9
129.05527	0.4
129.07011	4.5
130.07756	0.7
131.08566	5.4
133.06468	0.9
133.10126	4.4
135.04407	0.2
135.08052	0.9
135.11694	5.2
137.05965	0.3
137.09581	1.1
139.07535	0.3
142.07735	1.2
143.08485	0.3
145.04942	1.8
145.05933	0.3
145.06383	0.2
145.10124	7.3
147.08058	1.7
147.11682	5.6
149.09608	3.0
151.11122	0.4
153.12820	1.1
155.08504	0.7
157.10127	5.8
161.09613	0.3
163.06049	2.0
163.11189	10.9
165.12755	1.0
173.09628	1.3
175.09755	0.5
175.11177	5.6
176.11475	0.3
181.12228	1.0
191.10628	1.1
193.10446	0.5
193.12247	16.0
209.11716	2.6
211.13295	22.7
212.13565	0.3
220.19556	0.2
227.12805	2.0
249.14787	0.3
265.14410	0.6
267.15897	6.3
267.18588	0.5
283.15402	38.9
284.15762	0.6
285.16965	21.6
286.17285	0.3
351.04333	0.3
355.22488	0.3
383.22202	1.9
401.23291	1.1
427.19955	0.3
450.70612	0.3
457.25818	3.4
475.26950	18.0
476.26935	0.4
493.27969	100.0
494.28336	2.4
637.32294	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	852.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	6.0
65.03939	0.6
67.05505	9.8
69.03429	2.5
69.06714	0.3
69.07069	3.8
71.01352	0.7
71.04993	2.7
71.61192	0.4
73.02925	2.3
75.36358	0.2
79.05492	15.1
81.03416	30.3
81.07055	13.9
82.03719	0.2
83.01344	3.1
83.04983	9.7
83.08617	13.3
85.02905	16.9
85.06531	0.9
87.04458	0.3
91.03963	4.5
91.05478	14.9
92.05776	0.2
93.07044	14.5
95.04966	12.2
95.08607	5.8
96.04533	0.3
96.72430	0.2
97.02895	5.9
97.06525	3.3
97.10162	2.1
99.04453	1.7
99.08099	0.6
101.02328	0.3
103.03878	0.2
105.07028	11.5
107.04954	5.7
107.08595	7.9
109.02882	0.7
109.06519	4.3
109.10165	1.7
111.04430	2.8
111.08077	5.5
111.11656	0.2
113.05996	1.1
115.03928	0.3
115.05453	0.7
117.07018	3.0
119.04944	0.4
119.08578	10.3
121.06496	2.0
121.10143	6.6
123.08064	4.8
123.11684	0.7
125.06000	0.9
125.09640	1.3
127.03919	1.6
128.06209	0.2
129.05508	0.3
129.07002	4.3
130.07784	0.6
131.08566	6.0
133.06514	1.1
133.10130	5.4
134.10510	0.2
135.08093	1.0
135.11693	5.3
137.09628	1.1
139.07578	0.4
142.07736	1.0
143.08540	0.6
145.04956	1.8
145.06458	0.4
145.10118	7.4
147.08017	2.1
147.10497	0.3
147.11674	6.0
149.09612	2.7
151.11244	0.3
153.12785	1.5
155.08560	0.8
157.10133	7.0
161.09602	0.3
163.06020	2.0
163.11182	11.9
165.09157	0.2
165.12793	1.4
173.09616	1.8
175.11183	6.4
181.12224	1.6
191.10626	1.5
193.12239	19.3
194.12596	0.3
204.08704	0.2
205.12067	0.2
209.11711	2.9
211.13293	25.7
214.17989	0.2
227.12793	1.7
231.13838	0.3
249.14700	0.4
254.98926	0.2
265.14322	0.5
267.15906	6.9
273.14951	0.2
283.15399	36.9
284.15631	0.4
285.16959	23.1
383.22000	1.8
401.23099	0.9
419.24429	0.4
445.21249	0.2
457.25854	4.4
475.01303	0.2
475.26929	16.3
476.27209	0.4
493.27954	100.0
494.28519	2.1
560.89014	0.3
619.30115	0.3
637.32507	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	850.443
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.5
64.98131	0.8
65.03955	1.6
67.05510	24.6
67.36982	0.9
69.03434	2.5
69.07072	6.0
71.04998	2.5
71.60365	1.7
73.02924	2.1
77.38377	0.9
79.05496	39.9
81.03425	30.8
81.07064	28.5
83.04984	10.9
83.08633	14.4
83.24300	1.1
85.02908	12.8
85.06558	2.4
91.03967	2.6
91.05488	33.0
93.07047	38.6
95.04971	22.2
95.08616	16.8
97.02913	4.4
97.06528	5.0
97.10177	3.2
99.08089	1.6
105.07039	27.3
105.66271	0.9
107.04961	5.6
107.08595	13.4
109.02892	1.2
109.06532	5.7
109.10175	3.3
111.04496	1.3
111.08111	4.8
117.07017	4.5
119.08590	17.5
121.06518	2.1
121.10155	5.1
123.08104	5.8
125.09666	1.7
127.03972	1.5
128.06235	1.1
129.07013	11.9
131.08521	5.6
133.06540	1.7
133.10144	10.7
135.11707	1.0
137.09648	1.5
143.08539	5.6
145.04967	1.2
145.10103	7.0
147.08064	2.7
147.11696	27.2
149.09608	3.1
157.10127	8.0
159.11775	1.0
161.09578	3.2
161.13281	6.7
163.06090	1.1
163.11238	2.5
171.11702	13.4
175.11169	8.3
189.12720	5.6
193.12253	19.8
207.13817	17.6
211.13286	19.0
267.15912	29.2
281.17499	82.3
283.15601	2.3
285.16968	21.2
447.27771	1.6
455.28003	1.2
473.29037	100.0
474.29346	3.2
491.30118	91.2
492.30017	1.3
635.34070	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	850.4059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04990	1.8
59.05228	0.4
59.50345	0.2
61.02922	6.1
65.03894	0.4
67.05505	6.7
69.03389	1.1
69.07059	2.4
71.01335	0.6
71.04985	2.2
73.02906	1.6
73.06506	0.4
79.05494	10.4
81.03413	7.2
81.07053	9.8
83.00896	0.4
83.01340	5.5
83.04977	6.9
83.08617	6.8
85.02898	8.8
85.06509	0.3
91.03949	4.1
91.05478	6.3
93.07041	14.1
95.04469	0.3
95.04967	4.1
95.08071	0.3
95.08604	4.5
96.04470	0.3
97.02887	5.1
97.06530	2.6
97.10139	0.8
99.04463	2.0
99.08002	0.3
103.05413	0.4
105.07031	5.0
107.04947	5.3
107.08590	7.8
109.02872	0.5
109.06510	4.8
109.10107	1.2
111.04426	1.7
111.08053	1.1
115.05413	0.5
117.06225	0.4
117.07001	4.7
119.07805	0.4
119.08577	5.6
121.06541	2.0
121.10137	4.9
123.04406	0.3
123.08067	5.3
125.05943	0.9
125.09611	0.8
127.03890	1.5
129.06949	1.0
130.07770	0.8
131.04881	0.3
131.08548	2.1
133.10092	0.9
135.04420	0.4
135.08040	1.8
135.10678	0.5
135.11681	8.7
137.09624	1.4
139.07504	0.6
145.04970	1.6
145.06447	0.5
145.10115	10.7
147.08043	1.6
147.11742	0.4
149.09602	0.6
153.12733	2.2
155.08499	1.1
158.62466	0.3
162.07597	0.4
163.06024	2.4
163.11177	17.9
164.11461	0.4
173.09663	2.2
181.12215	2.6
191.10652	2.7
209.11717	5.3
227.12802	2.4
265.14374	0.3
283.15387	100.0
284.15692	2.8
340.71198	0.3
473.25400	0.8
491.26401	60.8
492.26831	3.2
582.66864	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	849.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02920	2.3
62.97024	2.0
65.03934	2.6
67.05510	35.8
67.83065	2.4
69.03413	9.2
69.07072	12.1
69.60786	11.9
69.61195	2.7
71.04983	7.1
72.67699	1.8
76.18388	2.1
79.05492	42.1
80.05849	2.6
81.03419	100.0
81.07063	42.9
83.01370	2.5
83.04991	21.4
83.08617	28.9
85.02911	18.6
85.06540	2.9
91.03956	2.2
91.05484	47.7
92.05778	3.6
93.07050	34.1
94.07400	2.9
95.04974	39.3
95.08604	16.6
97.02893	7.1
97.06522	5.2
97.10168	9.8
97.12432	1.8
98.21471	4.0
99.04459	2.5
105.07034	36.2
106.07291	2.1
107.04939	14.3
107.08607	15.0
109.02871	32.9
109.06513	7.8
109.10148	6.2
111.04446	13.5
111.08089	7.5
113.05994	3.3
115.05493	2.4
117.07054	7.2
119.08584	23.5
121.06491	5.6
121.10147	11.8
123.08080	4.8
125.09623	6.0
127.03920	7.9
129.07007	15.7
131.08577	15.5
133.06493	6.2
133.10150	16.6
135.08049	3.5
135.11745	3.9
137.09622	3.0
143.08557	4.9
145.10118	8.2
147.08054	5.7
147.11687	26.6
148.11960	2.6
149.09621	9.4
155.08557	2.4
157.10117	16.4
161.13171	2.4
163.11172	10.7
165.12799	4.6
171.11697	6.0
173.09657	4.2
175.11166	19.1
181.12230	3.5
191.10670	6.4
193.12254	50.0
194.41685	2.5
207.13844	4.2
209.11612	2.9
211.13303	77.7
216.29393	2.1
227.12712	9.8
229.14325	2.5
230.46457	2.1
233.42206	2.2
267.15967	22.3
273.14825	4.9
281.17514	7.3
282.17755	5.9
283.15421	13.8
284.15802	6.5
285.16895	12.5
301.14227	11.9
319.15430	8.3
337.16476	7.4
355.17560	7.3
375.18091	2.6
385.23727	4.8
403.24606	2.7
416.21219	2.2
459.27475	17.4
462.21521	2.6
472.27698	4.8
477.28470	14.9
479.20197	2.3
489.28427	20.5
490.28867	35.7
493.26581	2.6
495.29556	26.7
511.28387	2.5
529.27826	4.3
547.28479	3.1
567.30310	2.7
585.30591	4.6
603.32001	3.4
621.32355	4.0
639.33087	2.2
652.32465	2.5
703.53094	2.2
795.42267	2.3
813.43542	4.0
831.44348	4.3
849.46436	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	848.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05015	2.8
61.02931	8.5
65.03930	2.0
67.05508	70.3
69.03439	2.9
69.07076	6.0
69.58179	4.8
71.04989	2.7
73.02912	2.9
74.81529	0.5
76.96789	0.5
77.11359	0.6
79.05499	14.3
81.03415	1.7
81.07061	28.7
83.04993	1.2
83.08627	6.6
85.02422	0.9
85.02911	12.1
85.06532	2.1
91.03964	8.5
91.04958	0.9
91.05482	9.8
93.07046	18.9
95.04951	1.6
95.08612	21.6
96.04491	0.5
97.02891	6.9
97.06516	1.4
97.10172	2.0
98.21384	1.1
99.04461	0.9
99.08105	1.6
105.07039	6.5
107.07925	0.3
107.08601	10.0
109.02925	0.9
109.06532	0.9
109.10162	65.0
111.08085	2.8
117.07043	2.5
119.08590	8.8
120.75056	0.7
121.10149	8.1
123.11710	2.5
125.09644	1.9
127.03932	3.9
127.11251	0.6
131.08582	4.5
133.10126	4.8
135.07994	0.6
135.11697	5.9
137.09607	3.2
137.13272	1.0
145.04994	4.4
145.10126	3.7
147.11691	3.6
149.13264	4.1
155.10634	2.9
159.11661	3.9
161.13307	3.3
163.06021	4.7
163.14824	2.5
170.45689	0.6
171.11668	0.6
173.11772	20.6
173.13261	3.3
175.14816	1.0
177.16379	0.8
187.14856	1.8
201.16409	0.6
227.12808	7.3
229.14365	100.0
230.14662	1.7
233.22571	0.7
243.21123	4.8
261.22177	19.3
262.22601	0.6
279.23135	0.7
317.24774	2.9
335.25815	67.4
336.26193	2.9
379.29947	1.8
397.30878	1.6
397.84607	0.6
415.31924	1.7
433.33154	0.7
471.34702	2.3
477.33820	0.6
489.35764	52.8
490.35910	1.8
502.08322	0.6
507.36844	8.4
739.25739	0.6
848.49524	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	846.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	2.6
65.03937	0.8
67.05174	1.4
67.05507	19.5
68.05811	0.8
69.03434	1.2
69.07059	3.1
71.05003	3.1
71.23871	0.9
73.02893	0.7
73.06544	1.1
75.87758	0.8
79.05495	30.8
80.05892	0.8
81.03424	5.0
81.07064	16.9
83.04981	5.1
83.08615	3.5
85.02901	2.0
85.06548	1.6
91.03941	1.2
91.05483	22.3
93.06464	1.7
93.07047	28.3
95.04973	9.0
95.08613	9.9
97.02901	1.1
97.06534	2.0
97.10172	1.9
103.05460	0.7
105.07035	16.4
107.04955	2.6
107.08589	7.0
109.06536	1.9
109.10146	2.0
117.07014	4.0
119.08578	10.9
119.09360	1.2
119.61436	0.7
121.06503	1.6
121.10134	3.0
121.78540	0.8
123.08076	3.2
127.03958	1.2
127.07539	0.8
128.06230	1.1
129.07002	6.8
131.08563	1.9
133.10124	4.2
135.08023	1.2
135.11674	1.3
137.06026	1.2
143.08566	4.6
145.05145	0.8
145.10147	5.6
147.08005	1.1
147.11697	17.6
161.09691	1.9
161.13252	6.6
163.11212	0.9
165.35205	0.9
171.11688	14.1
189.12750	5.1
207.13832	12.1
225.15012	1.8
259.63699	1.0
263.16635	1.1
281.17480	35.3
469.29648	2.2
487.30576	100.0
488.31021	5.3
505.30975	1.0
631.34985	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	840.546
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02938	6.1
65.03934	6.4
67.05506	92.2
69.03423	12.6
69.07066	40.2
71.04967	4.1
71.08613	3.7
71.59723	5.2
79.05493	72.4
81.03424	15.9
81.07061	100.0
83.04983	15.9
83.08605	20.0
85.02906	10.5
85.06553	4.6
87.04466	5.4
91.03888	3.8
91.05480	91.2
93.07042	81.5
93.54997	4.0
95.04987	14.0
95.08609	56.4
97.02913	4.6
97.06538	14.6
97.10183	10.7
99.08127	4.7
99.77488	3.8
105.07046	74.9
107.04970	7.3
107.08603	57.6
109.06510	13.7
109.10162	29.2
111.08080	5.7
116.91202	3.9
117.07018	30.8
118.07771	4.6
119.08591	56.9
121.06527	5.1
121.10157	32.4
123.11715	12.2
125.09674	6.3
126.88127	3.9
129.06993	13.5
131.08565	39.8
133.10139	54.4
135.08066	10.6
135.11722	27.4
137.09593	7.1
141.06995	7.4
143.08603	20.0
145.10121	38.8
147.11691	30.6
149.09566	12.4
149.13258	11.1
157.10147	16.5
159.11671	32.2
161.13268	15.9
163.11179	8.9
164.52672	4.0
169.10132	18.5
171.11681	17.6
173.13301	16.8
175.11191	5.3
175.14796	7.4
178.81117	4.5
179.14311	4.0
183.11723	12.6
185.13289	8.2
195.11728	8.7
197.13300	9.0
199.14830	8.4
201.16350	4.5
210.15669	4.3
221.13364	4.4
231.21011	4.3
239.18021	4.9
241.19580	12.4
255.15968	16.5
257.19012	6.0
259.20618	37.0
261.22052	4.1
269.17560	20.9
275.20068	13.8
291.19672	3.9
315.23123	5.9
333.24197	36.2
335.25790	13.8
349.24036	10.5
367.25308	5.7
435.32346	8.3
513.35779	20.8
527.37451	53.2
531.37091	8.2
545.38318	12.9
607.43805	22.5
625.44757	38.2
841.46271	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	6.1
67.05505	86.4
69.03420	8.0
69.07069	32.6
69.38476	25.5
70.76899	2.6
71.04982	5.2
79.05495	80.6
81.03419	13.7
81.07062	100.0
83.04990	13.8
83.08613	18.6
84.20892	3.4
85.02902	5.3
85.06529	5.4
87.04465	7.0
89.24148	2.7
90.70142	2.9
91.03974	2.9
91.05482	81.7
93.07047	88.5
95.04986	16.6
95.08614	53.6
97.02891	4.9
97.06534	12.9
97.10169	7.9
97.64444	3.2
98.21420	6.5
99.04462	3.0
99.08086	7.5
105.07042	80.9
107.04952	9.3
107.08606	50.3
109.06535	9.6
109.10149	25.9
111.08092	9.5
117.07025	37.3
119.08583	68.1
121.06503	4.0
121.10136	33.0
123.08121	4.4
123.11707	5.0
125.09628	4.1
128.06218	3.7
129.07007	22.7
131.08577	41.4
133.09229	5.2
133.10147	55.7
135.08054	7.8
135.11720	28.4
137.09622	5.1
141.06978	6.4
142.07787	3.4
143.08563	20.7
145.06476	4.0
145.10121	32.1
147.11703	42.2
149.09610	9.9
149.13280	15.9
151.11139	5.2
152.93698	2.6
155.08562	7.7
157.10135	21.8
159.11732	31.6
161.13274	20.1
163.11154	8.0
163.14781	4.2
169.10126	11.4
171.11665	17.5
173.04498	3.4
173.13274	15.5
175.11205	3.1
175.14798	9.4
177.12747	6.4
181.10127	7.6
181.12216	3.5
183.11713	8.7
185.13297	15.0
187.14758	3.0
190.75827	2.9
195.11798	6.5
195.13815	10.6
197.13304	8.6
199.14885	7.2
201.16385	4.1
202.46179	3.3
207.11636	4.3
209.13248	5.6
213.16420	4.4
219.54559	3.2
221.13188	3.6
225.16258	2.9
231.21127	5.4
241.19588	24.2
255.15897	13.1
257.19003	5.5
259.20587	57.9
261.22012	4.6
269.17474	22.7
273.18585	5.9
275.20120	16.8
277.21948	3.7
313.21677	4.7
315.23184	8.1
333.24261	60.1
335.25812	9.8
349.23804	12.5
365.23373	4.3
367.25018	5.6
417.31299	3.7
435.32675	10.1
453.33798	9.0
483.34793	3.0
489.35565	3.4
509.36542	8.1
513.35815	21.3
515.37695	5.2
521.43146	3.3
527.37378	77.9
528.37158	5.6
529.38867	4.1
533.40149	4.5
545.38062	9.1
607.43488	26.5
625.44812	29.3
841.47253	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04992	4.1
60.67026	1.6
65.03938	2.7
65.73596	1.6
67.05506	80.3
69.03410	5.4
69.07066	18.0
69.35363	1.8
71.01339	2.8
71.04974	6.3
71.59980	2.4
73.02925	3.2
79.05499	29.4
81.03419	100.0
81.07056	40.4
83.04993	13.9
83.08614	25.9
85.02927	9.8
85.06528	3.1
87.04478	3.7
91.05484	30.8
93.07040	20.2
95.04971	32.9
95.08604	13.1
97.02892	7.8
97.06520	5.8
97.10177	18.3
105.07035	18.8
107.04946	17.4
107.08601	16.4
109.06504	7.6
109.10154	57.6
111.04437	4.3
111.08070	10.9
115.05392	2.7
117.06994	8.3
119.08582	23.1
121.06480	10.2
121.10113	12.2
123.04420	3.4
123.08069	5.6
125.09657	16.2
125.24286	1.9
129.06995	15.4
131.08600	14.1
133.06502	4.0
133.10124	9.1
135.08060	5.2
135.11696	5.7
137.09644	6.5
143.08542	3.6
145.06496	3.3
145.10153	10.1
147.04443	6.4
147.08037	6.7
147.11685	12.6
149.05983	3.4
149.09593	6.0
153.09157	2.7
153.12743	4.5
155.08594	1.9
155.10611	3.1
157.10155	12.3
161.09647	4.7
163.11160	14.3
165.09163	1.9
169.10106	2.5
173.09554	2.6
173.11787	14.1
173.13081	3.1
175.11168	10.6
181.12207	5.5
183.65979	2.2
184.70842	1.8
187.11224	2.1
189.11217	4.7
191.10640	4.6
192.11433	1.7
193.12260	31.8
193.13942	1.5
199.13245	2.4
207.91762	1.7
209.11717	7.6
211.13278	8.2
217.14340	3.4
219.13789	4.4
227.12769	16.6
229.14355	37.0
231.13792	4.6
247.13354	2.3
249.14865	4.9
259.13354	5.1
267.15930	73.0
273.18417	3.3
283.15347	13.0
301.16513	8.2
309.16971	1.9
336.65546	1.7
355.15921	2.3
367.03439	1.8
373.23947	3.1
383.22104	6.1
385.23706	5.8
399.23703	10.3
401.23154	6.9
403.24789	3.0
409.26157	2.5
421.25876	19.7
457.25772	4.6
458.26764	11.3
459.27371	6.2
475.26984	11.4
476.27615	15.2
477.28296	3.8
493.28030	12.7
518.32349	4.0
573.33850	2.6
591.35016	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	829.5066
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02930	4.9
67.05508	5.0
69.03423	2.8
69.07057	1.7
71.08614	0.7
71.61011	0.6
71.61436	0.6
73.02922	3.5
73.62433	0.6
79.05497	6.1
81.03427	3.3
81.07045	4.7
83.08623	1.4
85.02903	4.8
91.03944	2.9
91.05486	5.6
93.07037	6.5
95.04952	1.4
95.08587	2.8
97.02893	4.0
99.04456	1.4
101.02398	1.9
105.07021	4.3
107.08610	2.6
109.02885	1.2
109.10163	1.5
111.08109	0.6
115.03979	0.5
117.07026	1.3
119.08591	3.7
121.10143	2.2
127.03939	1.4
131.08580	1.8
132.97278	0.6
133.10150	2.2
135.11708	2.1
143.08557	0.6
145.10127	1.1
147.11693	1.9
149.13245	0.8
157.10182	1.1
159.11761	1.3
161.13399	0.7
171.11778	1.0
172.11264	0.5
174.37172	0.6
184.07422	0.6
185.04225	1.5
193.12286	0.6
203.05315	0.6
211.13371	0.9
243.08417	4.7
259.20663	1.0
299.19803	0.7
301.09079	2.3
313.09247	0.6
313.27567	0.6
315.10382	1.4
317.20990	1.6
385.18076	0.8
437.21683	0.7
464.76575	0.5
465.20978	2.7
523.40112	1.1
525.23016	1.2
535.28821	15.2
600.20325	0.7
607.30847	1.8
635.33466	0.7
759.44055	0.8
829.50677	100.0
830.50861	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	824.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	2.9
63.68015	1.9
65.03950	2.1
67.05503	46.8
69.03432	2.0
69.07068	16.6
71.04990	3.3
72.52031	1.7
73.02898	1.6
79.05495	33.8
81.07051	37.7
83.04994	3.8
83.08620	6.9
84.04495	3.3
85.02913	3.2
86.68674	1.7
91.05480	40.3
91.06023	3.6
93.07045	39.5
95.04967	7.8
95.08604	37.6
97.06533	2.0
97.10168	6.2
98.20654	2.5
105.07029	41.1
107.08585	22.2
109.02864	2.3
109.06577	2.7
109.10137	13.2
111.08057	2.2
115.05473	2.3
117.06993	16.7
119.08578	26.4
121.10139	17.2
123.11743	4.3
125.09715	3.0
128.06165	2.0
129.07005	12.9
130.07727	2.8
130.42207	1.8
131.08559	22.4
133.10153	22.3
135.08034	2.6
135.11702	9.6
141.06949	3.4
142.07809	2.2
143.08533	14.9
145.10110	25.3
147.11694	13.3
149.13272	5.5
155.08565	11.3
157.10153	12.7
159.11717	16.0
161.13269	7.4
167.08609	4.5
169.10129	14.9
171.11684	13.5
173.13255	10.1
175.14838	3.8
181.10146	5.1
183.11705	12.0
185.13268	10.2
187.14864	4.1
195.11722	6.4
197.13287	10.5
199.14899	4.6
209.13348	5.0
211.14806	5.1
213.16396	4.7
223.14828	4.0
225.16489	2.9
227.18008	2.3
235.15018	2.0
237.16457	3.9
239.18042	3.7
251.18057	2.3
257.19232	4.6
259.20596	6.6
283.20410	2.9
313.27478	2.4
333.24240	4.3
351.27029	2.1
393.28143	2.3
447.32248	2.9
487.34424	2.0
517.40369	9.0
535.41870	3.9
555.58997	2.1
591.43927	10.8
598.43237	3.9
609.45142	100.0
610.45190	4.4
771.50092	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	824.5519
Annotation	Unknow
Peak:m/z	Relative Intensity
59.29078	1.5
61.02921	3.2
61.29621	1.4
63.32008	1.6
65.03939	4.2
67.05506	82.5
68.23268	1.6
69.03427	6.2
69.07067	29.9
70.22876	6.8
71.01333	1.9
71.04998	4.4
79.05499	56.9
81.03433	10.2
81.07059	100.0
83.04992	10.3
83.08628	15.8
85.02902	7.6
85.06540	4.6
91.05483	40.6
93.07047	78.9
95.04969	10.9
95.08610	52.9
97.02927	3.5
97.06526	13.5
97.10167	7.0
99.08083	3.4
103.05413	2.1
105.04549	1.9
105.07028	31.2
106.30306	1.5
107.04986	6.7
107.08597	41.9
109.06535	6.7
109.10163	24.7
111.08094	4.5
115.05415	2.6
117.07012	17.8
119.08580	23.1
121.06506	5.3
121.10145	27.0
123.08099	3.5
123.11712	8.0
125.09637	3.3
129.07036	4.4
131.08575	22.6
133.10136	26.3
135.08063	3.1
135.11708	21.5
137.09647	4.1
143.08574	6.9
145.10114	17.7
147.11664	10.7
149.09662	9.9
149.13261	13.7
151.11232	2.8
154.33856	2.0
157.10124	5.6
159.11708	14.4
161.09607	1.9
161.13287	4.4
163.11201	6.0
163.14798	2.7
165.12828	2.0
169.10085	3.1
171.11713	3.8
173.04408	1.8
173.13281	6.3
175.14745	1.6
177.12791	4.5
179.14388	2.4
183.11650	1.9
187.14879	2.5
195.13863	5.6
197.13228	2.0
211.14905	2.1
227.12688	1.7
243.20973	2.9
246.21924	1.8
247.20604	1.7
255.15894	13.7
257.19040	7.2
261.22192	7.5
269.17477	31.4
275.20053	16.5
293.21149	1.9
299.43607	2.1
335.25815	61.9
349.23712	14.1
367.24734	6.2
424.09955	1.8
437.34348	2.6
515.37073	16.1
529.38904	55.2
530.39044	2.0
569.42377	3.2
595.10791	1.7
599.80371	1.8
601.20862	2.1
609.45215	16.9
627.45953	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	824.427
Annotation	Unknow
Peak:m/z	Relative Intensity
59.39270	0.9
61.02932	5.5
65.03931	0.9
67.05502	29.3
69.03429	3.6
69.07067	8.2
70.06611	1.3
71.01340	2.9
71.04994	3.9
71.60671	0.7
71.61175	1.8
73.02922	2.0
79.05492	26.7
81.03419	35.2
81.07061	21.7
83.04987	10.4
83.08618	12.6
85.02908	15.9
85.06539	2.3
91.03952	3.9
91.05481	19.2
93.07044	31.4
95.04969	15.1
95.08604	8.4
97.02876	4.9
97.06532	9.4
97.10178	9.1
99.04438	1.8
99.08093	1.3
105.07037	10.7
107.04942	4.0
107.08595	20.6
109.06525	3.9
109.10176	5.9
111.04459	2.5
111.08086	5.9
113.06002	1.5
115.05437	0.9
117.07004	4.0
119.08577	12.7
121.06501	1.4
121.10143	9.1
123.08023	1.9
125.09624	3.2
127.03916	2.3
129.07024	4.4
129.07912	1.0
131.08562	6.3
133.06505	1.7
133.10124	7.8
135.08038	1.5
135.11691	30.7
137.09584	2.6
142.07791	1.1
145.04959	2.0
145.06390	0.9
145.10127	5.8
147.08032	2.1
147.11691	7.1
149.09642	3.7
151.11176	0.9
153.12752	1.3
157.10106	8.6
163.06007	1.0
163.11180	6.9
165.12773	1.9
173.11778	1.0
175.11212	8.4
181.12233	6.1
193.12250	22.7
199.13324	1.2
206.87022	0.8
209.11752	2.0
211.13297	22.1
227.12834	1.5
229.14270	0.9
255.15907	78.6
267.09299	1.1
267.15930	19.8
273.18530	1.6
283.15546	0.9
285.10147	1.8
285.16977	20.4
287.05612	1.6
291.19571	1.6
301.16559	2.4
311.09872	1.0
328.59216	0.8
346.17752	1.0
351.10278	0.9
421.25821	3.7
447.27417	48.7
448.27802	2.2
463.49725	1.1
465.28482	100.0
466.28693	3.8
573.34149	2.1
609.33185	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	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	5.0
65.03935	2.4
67.05498	45.9
69.03422	7.6
69.07065	25.1
69.27492	26.2
76.24183	2.2
79.05490	35.1
79.06462	2.1
81.03396	7.1
81.07052	43.3
83.04972	3.1
83.08598	8.9
91.05473	24.5
93.07034	36.6
95.04933	8.6
95.08600	26.3
97.02861	8.4
97.06488	3.8
97.10165	14.4
98.20767	4.7
105.07021	14.5
107.04955	6.5
107.08611	19.3
108.38253	2.6
109.06466	3.4
109.10164	11.0
117.07059	5.7
119.08588	14.6
121.06513	3.5
121.10150	12.3
123.07974	4.0
123.11665	2.7
125.09611	8.5
129.06902	2.4
131.08569	9.4
132.33095	2.1
133.06461	2.6
133.10083	8.2
135.08063	2.9
135.11674	6.9
143.08578	4.3
145.10060	6.7
147.08038	4.0
147.11702	4.5
149.13229	4.7
159.11662	6.4
159.84697	2.0
189.11179	5.8
192.35001	2.0
205.12250	3.6
207.60930	2.4
223.13219	15.0
227.12692	4.7
249.14738	2.8
261.22113	7.4
267.16080	2.9
273.18454	13.0
279.63742	2.3
291.19528	100.0
317.24515	3.3
333.24268	2.8
335.22034	4.3
335.25809	71.8
347.22296	4.2
365.23236	60.5
534.38544	2.3
545.37946	3.1
625.44635	77.2
653.85468	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	822.5361
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	13.3
67.05508	44.4
69.07065	33.4
71.60870	7.1
79.05499	39.7
81.03416	9.1
81.07046	47.1
83.04977	10.2
83.08582	11.7
86.12438	5.2
91.05484	62.1
93.07066	57.4
95.01352	8.1
95.04962	6.4
95.08596	33.7
97.06547	15.9
105.07038	84.2
107.04935	16.3
107.08576	26.3
113.72392	5.3
117.07005	17.1
119.08586	59.7
121.10143	10.0
129.07008	6.7
129.37154	7.0
131.08542	22.3
132.12473	5.2
133.10139	55.4
135.11653	12.5
143.10408	5.4
145.10089	15.0
147.11702	27.3
149.09549	5.2
149.13217	12.1
159.11684	18.6
161.13235	19.6
173.13211	5.8
177.12735	5.4
179.14275	7.9
179.79662	5.9
230.54759	5.6
241.19466	14.7
257.19012	9.5
259.20572	23.6
271.55103	6.5
275.20090	55.0
315.23175	9.5
333.24146	52.7
335.26495	5.6
349.23715	53.0
381.18066	5.4
385.15765	5.4
480.28119	6.6
607.43610	100.0
625.44312	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	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	13.6
59.05004	2.6
61.02906	1.8
62.67611	1.5
65.03954	2.6
67.05167	3.1
67.05506	42.9
69.03435	6.7
69.07072	19.3
70.22689	4.3
70.23113	4.4
71.04995	7.6
79.05496	42.9
81.03418	73.0
81.07060	58.8
82.03699	1.7
83.04984	14.6
83.08620	23.1
85.02908	5.3
85.06552	3.3
91.05482	35.8
92.05808	1.7
93.07042	34.1
95.04973	31.1
95.08601	20.5
97.02897	5.7
97.06539	18.3
97.10165	18.1
99.04462	3.7
99.08119	1.9
103.05437	1.8
105.07033	26.0
107.04963	16.5
107.08587	24.7
109.06528	14.8
109.10166	15.4
111.04433	10.5
111.08057	10.1
113.06083	2.1
115.05490	3.5
115.07614	2.3
116.69901	1.5
117.07021	13.0
119.04990	1.9
119.08588	27.0
121.06507	9.5
121.10144	13.6
123.04425	2.5
123.08077	14.5
123.11662	1.7
125.06033	2.1
125.09632	16.8
127.03952	2.5
128.06166	2.5
129.06999	10.7
131.08575	20.4
133.06500	5.7
133.10138	14.3
135.08084	10.3
135.11739	8.5
137.09567	3.9
139.07686	2.0
142.07751	3.4
143.08607	6.3
145.06468	3.5
145.10114	15.8
147.08041	10.6
147.11708	10.5
149.09589	10.4
149.13252	2.2
151.11203	1.9
153.09142	4.6
153.12761	4.2
155.08409	2.6
157.06564	2.0
157.10127	13.8
159.08102	5.1
159.11729	5.1
161.09669	6.3
161.13284	2.1
163.07599	2.0
163.11172	11.8
165.09109	2.5
165.12794	2.4
169.10176	2.4
171.11676	4.7
173.09601	3.8
173.11787	3.3
173.13208	1.8
175.11197	10.6
177.12712	2.5
181.12256	4.1
187.11081	2.9
189.11244	11.5
189.12686	2.1
191.10637	3.9
193.12224	22.1
195.11707	2.1
199.11259	3.2
205.12216	2.7
209.11697	3.2
211.13298	3.8
212.18700	1.8
219.13835	5.1
223.13379	3.0
227.12691	12.3
229.14357	3.7
245.18974	3.0
247.20380	1.9
249.14838	3.8
251.01799	1.8
251.16449	1.7
255.17560	4.1
267.15930	68.4
268.16153	2.4
273.18488	22.2
283.15369	4.0
289.18182	3.0
291.19528	33.4
297.18372	2.1
301.16425	2.7
309.20621	5.7
329.21457	2.0
347.22241	7.0
365.23209	23.2
381.22815	2.3
383.24341	16.7
419.29178	2.2
433.25510	3.5
435.27518	2.3
437.25305	2.0
447.28076	6.8
461.29089	8.5
465.30103	5.3
475.26938	1.9
483.30954	4.8
501.32422	2.3
521.33057	2.3
539.33649	20.6
557.34753	100.0
558.34729	3.8
575.35779	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4827
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	20.5
57.07067	3.0
59.05000	11.0
61.02924	3.7
65.03929	4.5
67.05504	100.0
69.03436	9.5
69.07067	32.9
71.01351	4.4
71.04652	1.9
71.04997	11.0
71.21325	3.7
79.05493	52.6
81.03422	72.8
81.07058	68.7
83.04979	17.0
83.08617	23.4
85.02897	8.8
85.06548	2.6
85.25594	1.9
86.06025	2.7
87.04476	9.4
91.03981	3.0
91.05478	54.8
93.07045	50.2
95.04973	29.5
95.08611	36.3
97.02885	11.1
97.06515	14.5
97.10168	15.1
99.04453	6.6
99.08121	3.9
103.05474	2.6
105.06432	1.3
105.07033	40.3
107.04979	14.9
107.08588	31.1
109.06516	8.6
109.10155	50.6
111.04444	5.6
111.08055	9.9
115.05447	2.7
117.07022	12.7
119.04929	2.7
119.08582	34.9
121.06507	8.4
121.10164	22.3
123.08034	9.8
123.11732	2.9
125.09657	11.4
127.03881	2.3
128.06236	2.2
129.05498	3.0
129.07013	12.0
131.04918	2.6
131.08580	19.9
133.06523	3.5
133.10143	20.5
135.08040	4.6
135.11679	17.3
137.09628	9.6
143.08531	5.9
145.06473	2.2
145.10135	19.0
147.08037	5.6
147.11697	11.7
149.09625	17.7
149.13283	5.0
151.11176	2.0
155.08498	4.0
157.10135	10.0
159.11687	8.1
161.09549	3.1
161.13242	4.6
163.11169	17.8
165.12794	2.7
168.70807	1.9
171.11729	3.8
173.09650	4.6
173.11703	17.6
173.13058	3.4
175.11250	10.6
177.12820	3.6
179.14301	2.9
181.12263	2.6
185.13315	2.3
189.11174	4.1
191.10606	6.2
193.12215	25.0
195.11903	1.9
195.13748	2.7
199.13309	4.7
209.11697	4.7
211.13312	5.7
223.13217	2.7
225.12831	2.0
225.14780	3.5
227.12712	14.1
229.14348	51.8
241.14403	2.8
243.15915	4.4
247.20404	2.2
249.14809	3.2
255.15959	6.8
257.19113	4.2
265.14371	3.3
267.15936	63.4
269.17566	8.3
273.18576	2.9
275.20062	12.9
283.15494	12.9
285.17023	3.4
291.19592	4.5
293.21054	3.0
301.16544	8.9
315.18173	4.2
329.21115	3.4
349.23810	15.4
365.23138	3.5
399.23901	3.6
409.25952	3.7
421.25757	23.0
423.27383	10.8
435.27542	6.5
437.25247	7.8
445.29294	4.8
447.27356	17.7
455.26620	2.4
459.27200	2.2
469.01016	2.3
503.33719	5.6
521.35120	2.8
541.35162	22.8
557.34418	3.3
559.36322	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	815.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	0.4
61.02933	0.3
67.05502	1.4
69.03417	0.4
69.07064	0.7
69.27546	3.3
71.04975	0.3
73.02929	1.7
79.05492	0.7
81.03419	0.9
81.07037	0.6
83.04987	0.6
85.02908	0.6
85.04025	0.6
86.09708	65.4
87.10034	0.4
88.03993	2.7
91.05469	2.4
93.07053	2.4
95.04976	1.1
95.08593	0.5
96.08154	1.0
97.02898	0.5
97.06544	0.4
98.02419	1.2
100.03986	2.1
103.05469	8.2
103.06136	0.7
105.03400	2.2
105.07031	0.5
107.04989	0.3
107.08630	0.4
107.25397	0.3
109.02888	0.3
109.10141	0.6
111.40356	0.3
113.10770	1.2
118.06564	0.5
119.08591	0.7
120.08108	100.0
121.08445	1.3
125.09662	0.4
126.57820	0.3
127.03979	0.5
127.05011	0.3
130.06505	0.3
131.11836	1.1
133.10144	0.4
138.09138	2.2
141.10233	4.5
142.08716	0.5
145.10214	0.4
149.94173	0.2
155.11803	0.4
156.10197	4.5
163.11119	0.4
165.07077	0.3
166.08704	0.4
167.08588	1.0
173.11801	0.4
178.07857	1.0
183.11320	3.1
184.09732	1.8
184.11128	0.3
187.10889	0.4
191.08556	0.8
193.10208	1.0
195.08055	0.5
197.44043	0.3
199.17972	0.4
201.12349	32.9
202.12674	0.6
208.09123	0.3
209.09668	0.4
212.09219	0.4
219.08112	0.5
221.09698	0.8
223.07581	0.8
224.10764	1.0
225.09398	0.4
225.11383	1.4
229.11841	13.3
236.08679	0.3
236.10645	1.8
238.12299	2.1
240.10353	0.6
247.07634	0.8
251.07098	0.8
253.13434	1.9
254.11839	1.3
264.10226	2.8
267.09109	0.3
267.15915	0.4
282.11212	2.8
283.15384	0.3
285.10220	0.8
297.18219	0.4
299.13898	10.1
310.10764	2.2
311.14044	0.5
314.20676	0.4
323.15292	0.3
342.20267	1.7
349.84253	0.3
394.21436	0.4
400.20044	0.3
409.16348	0.3
411.17178	0.8
438.25049	0.3
440.21954	1.6
446.20868	7.4
457.17642	12.4
458.17923	0.4
474.20297	4.4
525.28473	0.4
543.29498	0.4
559.28516	0.4
587.28668	19.5
588.29077	1.1
605.29877	0.5
668.32672	3.4
700.37030	2.7
771.40833	1.0
797.38416	1.2
798.37097	0.6
815.39740	28.8
816.40479	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	806.4896
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03182	2.3
57.03441	22.5
57.07077	2.2
61.02946	2.3
65.03937	3.7
67.05508	84.9
69.03433	12.0
69.07071	32.5
70.74474	6.1
71.01347	3.1
71.05016	8.9
79.05493	57.6
81.03420	100.0
81.07060	79.0
83.04989	20.5
83.08623	31.3
85.02910	11.3
85.06541	5.0
87.04452	1.8
91.03972	2.5
91.05486	61.4
93.07049	59.5
95.04973	37.8
95.08614	26.1
97.02905	9.7
97.06527	17.9
97.10183	16.1
99.08085	4.0
105.07037	49.6
107.04978	17.1
107.08601	35.5
109.02870	2.8
109.06529	11.2
109.10165	27.7
111.04450	3.8
111.08090	11.3
113.05981	2.2
113.09702	2.4
115.64147	2.1
117.07017	19.0
119.07775	3.4
119.08584	37.8
121.06503	9.4
121.10149	21.4
123.08080	4.9
123.11755	3.4
125.09643	11.5
128.06303	2.2
129.05492	2.1
129.06995	17.7
131.04988	2.0
131.08575	29.6
133.06483	8.1
133.10136	28.7
135.08089	5.1
135.11693	15.2
136.07777	1.9
137.09613	6.4
139.07552	2.0
141.06981	3.9
142.07790	4.2
143.08598	7.2
145.06491	3.2
145.10150	16.5
147.08067	4.4
147.11694	17.7
149.09608	12.1
149.13239	10.9
151.11162	3.2
155.08571	5.4
157.10136	14.3
159.11682	8.7
161.09641	5.5
161.13339	3.0
163.11208	10.2
165.09198	2.9
165.12845	2.2
167.10500	1.7
168.41154	1.8
169.10165	3.4
171.11717	6.0
173.09650	3.7
173.11739	5.6
173.13272	4.6
175.11195	10.0
177.12764	5.7
181.12230	2.6
183.11638	2.8
184.07433	2.8
185.13283	2.3
189.11284	4.9
191.10663	2.2
193.12231	29.8
197.13341	2.6
197.15364	2.3
199.14764	3.6
209.11729	4.1
211.13289	11.5
213.12680	2.0
217.15901	3.0
227.12796	12.2
229.14386	13.5
253.14339	3.4
255.15869	17.0
257.19019	2.7
267.15924	74.9
269.17490	23.8
273.14590	2.0
273.18564	2.1
275.20081	16.3
279.25476	1.9
283.15286	8.6
285.16733	4.7
291.19574	10.7
293.21158	2.3
301.16638	3.7
349.23779	19.8
365.23264	3.1
367.24664	5.2
369.24142	3.3
421.25909	9.5
435.27216	2.4
437.24747	3.9
439.26761	3.9
443.27652	9.9
445.29138	2.2
447.27374	22.1
459.27237	3.7
461.29022	92.4
477.27966	4.4
483.23834	2.0
493.31967	9.3
511.28882	5.6
523.33789	2.2
541.35272	47.1
550.65186	2.7
559.36426	19.6
591.35236	2.0
609.35675	4.4
657.94537	2.4
807.41223	2.2
809.52045	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	806.488
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03435	23.9
57.07074	2.4
59.05008	10.7
61.02912	5.2
65.03921	5.0
67.05502	100.0
68.05836	2.2
69.03430	12.9
69.06726	2.3
69.07065	30.4
71.05003	14.8
71.60672	2.2
73.02905	2.4
79.05488	66.6
81.03412	85.1
81.07051	83.4
82.07384	2.5
83.04986	17.9
83.08620	28.6
85.02900	12.9
85.06534	5.8
86.09708	2.0
87.04482	9.7
91.05474	72.5
91.77957	1.7
93.07041	66.3
95.04959	39.9
95.08601	40.1
97.02864	11.0
97.06537	12.2
97.10160	17.0
99.04435	2.4
99.08080	4.6
103.05453	2.6
105.07029	63.4
105.59044	1.9
107.04956	13.8
107.08593	38.5
109.06527	10.9
109.10147	37.3
111.04444	6.5
111.08080	12.8
113.05998	2.1
113.09613	2.3
115.05439	3.5
117.07009	20.9
117.88138	2.1
119.08575	44.0
121.06508	8.3
121.10148	28.7
123.04414	2.3
123.08046	7.9
123.11671	6.5
125.09631	13.6
126.27103	1.6
127.03886	2.6
128.06258	4.1
129.05460	3.4
129.07007	21.4
131.04871	2.3
131.08557	37.5
133.06516	5.9
133.10127	33.1
135.08049	7.7
135.11682	11.7
137.09628	9.2
141.06998	3.3
142.07770	4.1
143.08551	14.6
145.06487	4.9
145.10106	27.1
145.11125	2.3
147.08017	9.3
147.11678	23.4
149.09612	13.9
149.13246	8.2
151.11211	3.6
153.09149	1.8
153.12723	1.7
155.08568	4.1
157.10129	22.1
159.08026	5.5
159.11684	16.7
161.09631	4.7
161.13263	7.4
163.11208	11.0
164.11453	2.1
167.08545	2.8
169.10120	9.2
171.11639	11.3
173.09569	3.3
173.11726	8.5
173.13280	9.9
175.11189	9.8
175.14807	4.6
177.12720	4.1
179.14319	3.6
181.10121	3.5
182.10875	2.7
183.11671	8.2
184.07364	2.8
185.13301	6.4
187.14787	3.4
189.11244	6.8
191.10666	2.1
193.12224	28.0
195.11633	5.0
195.13696	2.4
197.13272	6.1
199.14793	5.8
209.13316	4.5
211.11421	3.0
211.13278	11.1
211.14957	3.5
213.14693	2.3
217.15932	3.2
221.13249	2.5
223.14792	4.1
225.14757	4.4
227.12700	11.9
229.14355	22.8
249.14911	3.2
257.19006	5.7
259.20456	9.7
267.15897	57.6
269.17361	13.1
273.18472	2.6
275.20120	13.8
276.20544	2.0
276.91235	2.1
283.15292	5.5
284.15881	2.7
285.16885	4.3
287.20099	2.6
291.19620	2.7
293.21109	3.0
313.21686	3.1
325.21439	2.5
331.22687	2.3
333.24222	7.8
339.23090	2.0
349.23743	8.6
351.23087	4.7
369.24136	5.8
387.25266	3.3
405.26694	2.6
415.30093	2.3
421.26187	9.3
427.27283	2.0
431.27982	2.2
433.30875	4.8
435.27252	4.1
439.26752	4.0
443.28009	6.3
449.30078	2.7
451.31989	5.7
461.28906	31.7
467.31464	2.3
469.33078	4.3
475.30838	2.2
493.31720	5.8
507.34436	2.6
517.34460	2.2
523.34479	2.9
525.35730	25.8
529.38892	2.4
541.35522	14.4
543.36768	48.6
544.37201	2.2
557.38379	5.6
559.36328	5.7
573.37512	3.9
575.39514	13.1
609.36090	7.6
807.41449	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	806.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03184	2.3
57.03439	25.9
57.07058	2.5
59.04986	4.7
60.01577	1.5
60.01939	1.3
61.02913	6.0
65.03931	4.7
66.29706	1.4
67.05505	100.0
69.03416	8.2
69.07066	19.7
71.01340	1.9
71.04992	8.4
71.59502	3.1
73.02907	3.3
79.05492	50.3
81.03419	86.7
81.07056	54.5
83.04983	24.7
83.08619	42.5
85.02905	45.3
85.06529	3.9
87.04460	5.3
91.03952	3.3
91.05481	50.4
93.07041	36.4
95.04974	38.8
95.08608	25.0
97.02895	9.1
97.06525	8.8
97.10168	18.6
99.04417	2.0
99.08076	1.6
102.92023	1.6
103.03944	2.0
105.06387	2.5
105.07035	31.2
107.04948	13.4
107.08589	19.7
109.06510	9.7
109.10153	65.3
111.04442	4.8
111.08082	16.4
113.05984	4.2
115.05455	2.3
117.07014	5.4
119.04906	1.4
119.08582	34.0
121.06482	4.7
121.10142	15.2
123.08054	5.0
123.11720	2.2
125.09621	13.2
127.03930	2.3
129.05486	5.2
129.07011	13.5
131.08578	17.6
133.06483	3.5
133.10138	16.6
135.08055	2.8
135.11678	7.1
136.60828	1.4
137.09601	6.3
142.07773	4.8
145.10127	6.4
147.08073	7.1
147.11671	19.2
149.09622	9.1
150.98306	1.5
153.12703	2.5
155.08604	1.8
155.10684	3.5
157.08736	2.4
157.10109	17.3
161.09813	1.4
163.11185	11.2
165.12790	3.3
173.09683	1.8
173.10320	1.7
173.11757	17.0
175.11169	18.8
181.12193	3.3
184.07306	2.2
189.11298	1.7
191.10672	5.1
193.12242	62.1
196.67294	1.7
199.13269	6.6
209.11737	7.6
211.13290	80.1
217.14369	2.2
227.12802	11.0
229.14343	57.3
261.12930	1.3
267.15906	29.3
273.18481	1.8
283.15457	10.5
285.16965	67.0
301.16461	16.8
399.23804	26.7
401.20874	2.0
409.25705	3.6
421.25900	14.9
427.26694	3.3
439.26880	49.5
475.26993	2.2
493.27829	7.9
511.29144	10.9
529.29932	2.1
591.35059	3.0
609.36395	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	806.4518
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	26.4
57.07077	5.3
59.04986	4.6
61.02940	7.6
62.47425	3.4
65.03959	8.9
67.05505	100.0
69.03429	22.0
69.07064	62.0
71.01366	5.3
71.04986	30.9
71.31621	7.7
73.02905	9.2
78.44554	3.2
79.05499	84.3
80.06294	4.0
81.03418	75.5
81.07057	94.2
83.04987	28.5
83.08623	31.3
85.02898	21.7
85.06554	5.2
91.03955	5.9
91.05479	83.3
93.07042	76.2
94.41840	4.0
94.68651	4.2
95.04974	51.0
95.08608	44.4
97.02905	15.2
97.06535	73.3
97.10159	17.5
98.07327	3.7
99.04451	5.9
99.08099	7.2
101.02366	3.6
105.04560	4.5
105.07030	58.8
107.04962	23.3
107.08579	41.7
109.02934	4.7
109.06520	20.4
109.10148	30.4
111.04495	3.9
111.08108	16.3
113.06030	5.0
115.05448	4.5
115.07570	18.6
116.04700	7.0
117.07018	22.3
119.04926	3.5
119.08582	39.3
121.06490	10.1
121.10138	24.5
123.08094	13.7
123.11757	5.9
125.06050	5.5
125.09641	12.5
127.03954	5.0
129.05507	11.5
129.07008	16.0
131.08562	28.9
133.10150	38.5
134.40785	3.4
135.08069	12.5
135.11725	7.9
136.08415	3.6
137.09575	8.6
139.07579	4.8
142.07825	5.3
143.06993	4.9
143.08592	8.0
145.10074	18.3
147.08060	12.3
147.11702	22.9
149.09642	16.7
149.13283	6.8
151.11119	5.4
157.08714	7.5
157.10164	17.3
159.08015	4.8
159.11714	9.4
161.09595	6.7
163.11197	17.0
165.12796	4.3
171.11696	6.7
173.09595	7.7
173.11774	5.7
175.11205	12.7
177.12811	5.3
181.12294	3.8
189.11220	4.5
193.12262	38.3
195.13879	4.4
199.13342	4.4
204.06010	3.5
211.13275	31.4
217.15889	6.8
217.52992	3.7
225.05386	3.5
227.12822	16.4
229.14415	6.4
255.15919	4.6
261.18472	3.8
267.15933	20.9
269.17523	14.9
273.18472	26.0
275.19983	6.9
283.15454	12.8
285.10266	3.5
285.16916	24.4
291.19519	16.6
299.14874	5.5
301.16428	21.6
347.22220	8.2
349.23676	6.8
365.22995	6.3
386.52408	3.5
421.26047	4.6
437.25323	7.4
439.27167	11.7
461.29132	4.7
477.28629	5.8
478.29544	5.6
479.29913	15.1
493.28244	4.2
495.29428	5.9
501.32156	4.9
557.34796	7.3
559.35687	5.6
573.33801	13.0
575.35333	5.4
591.35144	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4378
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	15.6
57.07074	1.5
59.05009	4.7
60.34896	0.6
61.02931	4.3
65.03928	2.0
67.05507	55.4
69.03430	3.3
69.06705	1.0
69.07069	9.9
70.09079	0.5
71.01346	2.7
71.04993	5.4
73.02907	3.2
73.06579	0.6
79.05495	28.1
81.03419	15.8
81.07062	25.8
83.01347	8.2
83.04990	13.3
83.08138	1.0
83.08622	16.1
85.02909	13.6
85.06545	2.8
87.04482	3.2
91.03957	1.7
91.05482	18.4
92.05792	0.7
93.07049	23.8
95.04969	9.6
95.08610	10.3
97.02880	6.1
97.06538	5.7
97.10175	11.1
99.04472	3.5
99.08080	1.0
103.03953	0.9
103.05449	1.0
105.07037	11.6
106.07359	0.8
107.04964	9.5
107.08593	17.1
108.08897	0.7
109.06519	7.8
109.10165	37.9
110.10471	0.7
111.04440	3.8
111.08076	4.5
113.06020	2.4
117.07020	7.9
119.08578	14.1
121.06506	3.6
121.10155	9.2
123.04466	0.7
123.08073	7.7
123.11677	0.6
125.05983	2.0
125.09640	13.7
127.03893	1.0
129.05513	1.7
129.06985	2.4
130.07741	1.5
131.04964	0.8
131.08585	4.8
133.06345	0.7
133.10159	2.8
135.04367	0.6
135.08051	2.1
135.11688	11.1
137.09612	3.4
139.07646	0.9
141.09154	0.6
143.07062	0.7
143.08531	1.4
143.10678	2.0
145.06445	1.0
145.10121	15.4
147.08038	2.7
147.11662	1.8
149.09616	1.4
153.12766	3.3
155.08549	1.8
155.10677	1.6
157.08737	0.7
157.10146	1.4
159.11685	1.0
160.23080	0.6
161.09633	0.9
163.11185	27.7
173.09636	4.0
173.11757	13.3
181.12262	5.6
189.11247	0.7
191.10660	5.9
193.12300	2.5
199.13313	4.7
201.10736	0.6
201.12616	0.6
209.11722	13.1
209.13635	0.9
211.13251	1.2
227.12805	13.2
228.20235	0.7
229.14368	43.9
229.60486	0.7
241.14374	0.7
257.13806	1.2
265.14435	1.7
267.15872	3.3
283.15402	100.0
284.15753	1.6
291.19595	0.9
301.16483	12.1
311.14719	1.2
367.28128	0.6
383.22379	0.7
399.23767	12.7
407.24313	1.8
425.25269	6.0
437.25394	34.2
438.25626	1.1
475.26904	1.3
491.26089	2.2
493.28143	1.2
509.27460	11.1
527.28638	3.1
607.34723	28.4
608.34906	2.4
624.43054	1.8
669.86011	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03441	24.0
57.07067	5.6
59.72164	1.4
59.78695	1.6
61.02926	5.1
65.03936	4.7
67.05508	79.9
69.03423	5.9
69.07069	20.8
69.73775	11.6
71.04988	7.1
73.02926	3.3
77.03951	1.9
79.05495	61.6
81.03431	12.7
81.07060	58.3
83.04973	7.9
83.08614	10.1
85.02900	6.5
85.06544	14.7
91.05485	65.1
92.01283	1.6
93.07048	57.9
95.01350	1.6
95.04977	62.5
95.08611	39.8
96.08963	1.9
97.02902	5.3
97.06538	9.8
97.10178	6.1
99.04472	1.8
99.08092	2.1
105.07033	56.0
106.07365	1.6
107.04969	20.6
107.08598	36.9
107.09290	2.4
109.06522	59.3
109.10153	12.9
111.08111	4.0
113.06010	39.2
115.05458	2.8
117.07025	26.0
118.06554	2.0
119.08583	34.5
120.08888	1.8
121.06498	9.7
121.10150	18.0
123.08061	8.6
123.11720	2.4
125.06007	2.0
125.09682	3.5
127.03893	2.2
128.06238	4.4
129.07027	18.8
130.07831	2.7
131.08568	38.1
131.09520	2.4
133.06520	5.0
133.10132	29.5
135.08058	42.8
135.11708	16.3
137.06119	2.2
137.09639	1.9
141.07022	5.2
142.07822	3.8
143.08566	23.0
145.06496	6.7
145.10130	33.1
147.08076	6.0
147.11697	17.5
149.09660	6.2
149.13274	8.5
154.07539	1.6
155.08569	6.0
156.09227	1.8
157.10143	14.8
159.08055	4.8
159.11707	25.7
161.09662	11.0
161.13220	14.0
163.11220	7.6
163.14763	1.5
167.08604	1.8
169.10135	9.4
171.11681	13.3
173.09724	3.0
173.13242	12.5
175.11263	3.3
175.14839	6.3
177.12706	7.3
179.14351	2.4
179.23289	1.5
181.10162	3.2
183.11768	5.7
184.07402	2.1
185.09602	1.9
185.13303	4.6
187.11221	6.7
187.14841	6.2
189.12778	2.6
189.16318	2.1
193.10110	1.5
195.11832	3.2
197.13246	4.7
199.11238	2.6
199.14746	8.6
201.12753	2.8
201.16483	3.7
207.13914	2.2
209.13284	3.8
211.14825	2.9
213.16359	2.3
215.17929	2.9
217.15926	11.2
221.13252	2.5
225.16275	1.5
227.17995	2.2
237.16457	2.4
239.18016	1.8
241.14238	2.9
241.19540	8.9
255.17564	2.8
257.19083	4.2
259.20599	14.2
273.18506	25.9
275.20056	6.6
279.15939	16.7
291.19547	64.4
292.20062	3.9
315.23077	4.9
320.43158	1.5
327.26874	4.1
333.24268	29.6
347.22183	8.2
349.23856	6.3
365.23236	14.2
513.36261	4.0
531.38373	3.2
541.35364	1.7
543.36707	4.6
549.39026	2.6
565.39032	3.2
567.40234	2.3
605.41968	13.7
623.43036	100.0
624.43774	8.4
641.43933	28.3
642.44312	2.9
785.48267	2.3
803.50116	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	801.3902
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96561	1.8
57.03186	0.8
57.03442	10.7
57.07077	0.8
60.04552	0.7
61.02916	3.0
65.03948	2.2
67.05502	22.5
69.03428	23.7
69.07072	7.4
70.06572	0.9
71.01361	1.5
71.04999	8.4
71.59779	1.1
72.08146	0.7
73.02922	3.7
79.05145	0.6
79.05492	24.8
81.03418	100.0
81.06576	1.4
81.07056	29.4
82.03727	1.0
83.04984	19.1
83.08622	20.6
85.02906	22.7
85.06558	2.2
86.09688	0.8
91.03938	2.3
91.05479	30.4
93.07042	18.5
93.84472	0.7
95.01336	1.1
95.04967	28.9
95.08601	9.7
97.02893	23.7
97.06534	7.0
97.10168	8.0
99.04468	6.4
99.08104	2.1
101.02386	2.0
103.03954	1.3
103.05450	1.4
103.70060	0.7
105.07030	20.7
107.04945	8.7
107.08596	12.5
109.02880	17.0
109.06520	5.6
109.10155	5.3
111.04446	12.5
111.08080	11.1
113.06019	2.4
115.05471	1.8
117.07053	4.4
119.04944	1.6
119.08582	18.0
120.08112	0.6
121.02853	0.8
121.06516	5.6
121.10134	9.9
123.04459	3.0
123.08084	3.9
123.11704	3.5
125.02390	1.0
125.06004	1.6
125.09624	4.2
127.02964	1.0
127.03917	19.0
127.07581	0.8
128.06267	1.4
129.05515	5.6
129.07005	13.0
129.07909	1.1
131.04953	2.1
131.08565	12.4
133.06506	4.4
133.10118	11.7
135.04428	1.0
135.08080	2.5
135.11681	3.2
137.06035	1.6
137.09645	2.6
139.03998	0.6
141.06956	1.5
142.07797	2.5
143.08582	1.9
145.04974	2.2
145.06529	2.4
145.10094	4.0
147.04427	1.6
147.08076	3.7
147.11682	22.8
149.05991	1.7
149.09618	7.0
151.03885	1.3
151.11246	1.0
153.05478	0.7
153.12772	2.2
155.08588	1.1
157.06522	1.4
157.10123	15.0
159.08084	1.1
159.11720	0.9
161.05997	2.2
161.09660	1.7
163.11153	5.3
165.05443	0.9
165.09132	1.0
165.12790	5.9
167.07118	0.7
167.08629	0.8
169.05051	1.0
169.10106	0.9
171.08054	1.4
171.11729	1.2
173.04498	8.6
173.05923	0.7
173.09665	2.0
175.11195	16.7
177.12724	0.7
179.17470	0.7
181.10249	0.7
181.12169	3.1
183.06587	1.5
183.13774	0.7
185.13275	1.2
187.11325	0.8
189.00648	0.7
189.05478	1.2
189.11258	2.5
189.12735	1.5
191.10658	4.2
193.12247	47.9
194.12675	0.9
195.11760	1.0
195.13799	0.8
199.07669	0.8
201.07594	0.9
205.12213	1.2
209.11708	0.8
209.13463	0.8
211.13290	61.8
212.13635	1.6
213.14766	1.0
227.12654	5.4
229.07114	0.8
229.14288	6.5
233.15381	1.0
235.13403	1.7
237.12697	0.8
241.12245	0.9
243.08740	0.9
245.15327	0.8
249.14954	3.7
253.07173	1.8
255.09041	0.7
255.13901	1.3
267.09122	4.8
267.15909	30.5
268.09445	1.2
269.12451	1.2
273.14990	3.9
277.14313	1.5
282.94366	0.8
283.15549	2.6
285.10156	10.9
285.16968	31.5
286.10446	2.3
286.17355	1.1
289.14508	1.6
291.15973	1.2
301.14133	5.6
308.11630	0.9
309.16989	2.0
313.16537	2.0
319.15329	4.6
324.11545	5.0
324.61774	2.0
337.16470	5.4
355.17581	7.5
357.16452	0.9
367.22900	2.2
375.18149	3.1
385.23663	4.2
393.18982	5.5
403.24789	1.6
411.20148	8.5
429.21219	16.7
433.25186	0.8
438.18298	9.8
438.68427	9.7
439.18533	4.8
441.01852	0.8
441.26389	1.8
459.27426	20.3
460.27878	1.5
463.19745	0.9
477.28461	28.0
478.28238	1.1
481.20673	1.1
495.13284	3.2
495.29562	17.3
499.21478	1.0
501.28525	1.6
519.29584	2.6
537.30280	0.8
543.29755	1.6
547.29028	0.7
561.30573	1.8
567.29993	1.9
573.31299	1.1
585.30615	7.3
603.31488	8.9
621.32703	19.2
621.42725	1.1
622.32996	1.8
639.33752	36.3
640.33905	1.8
729.34918	0.8
747.35480	1.7
751.31726	0.8
765.36176	3.3
783.37903	13.0
801.38867	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	799.3387
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97305	0.1
61.85846	0.1
67.05478	0.2
67.56324	0.1
69.03416	0.1
69.07062	1.2
70.06568	0.4
70.08797	0.1
71.10592	0.1
71.10919	0.1
73.02890	0.2
76.53353	0.1
85.02888	0.2
93.37194	0.1
94.06567	0.2
95.04972	0.1
96.04485	0.3
97.02866	0.1
97.06509	0.3
108.04485	0.5
108.08108	0.2
112.07575	0.4
120.08086	0.2
120.53268	0.1
122.05991	0.6
136.07571	1.0
140.07057	3.0
142.08571	0.1
146.05980	0.3
147.06711	0.1
148.07567	2.9
150.05446	0.1
158.09663	0.1
160.07547	0.3
164.07056	0.7
168.06564	2.8
168.07971	0.2
169.44359	0.1
170.09711	0.1
172.07538	0.1
172.11194	0.1
173.07071	0.1
174.05513	0.8
174.09129	0.3
175.09920	0.1
187.08578	0.2
188.07071	0.1
190.08739	0.1
197.10797	0.2
198.09166	0.9
198.12834	0.2
199.08659	2.8
199.12263	0.3
200.09270	0.3
200.10889	0.2
201.10286	0.2
202.08568	0.2
203.09390	0.3
208.11182	0.1
210.09111	0.4
211.10181	0.1
211.12221	0.1
212.09425	0.4
213.10205	1.0
214.10919	0.5
215.11783	1.1
223.12163	0.1
224.10800	0.6
225.10202	3.4
226.08769	1.0
226.10759	0.3
227.08163	1.6
227.11736	2.1
228.12469	0.2
234.09358	0.1
234.39616	0.1
237.10199	0.2
238.08568	0.2
239.11810	0.2
240.08958	0.2
241.09767	0.8
241.13301	0.9
242.10403	0.9
243.11282	1.4
251.11789	0.3
252.10138	0.8
253.10016	0.1
254.10284	0.2
254.11964	0.1
255.11267	13.1
256.11649	0.4
259.14380	0.5
269.12827	4.4
270.10895	0.2
271.14441	0.2
285.12360	0.2
287.05536	0.3
287.13843	1.4
297.12323	5.3
299.13876	0.3
303.13361	0.5
305.14926	3.0
305.18457	0.1
315.13348	100.0
316.13721	3.0
317.14911	1.2
333.12106	0.1
452.18167	0.1
463.08701	0.1
467.20004	0.3
477.18686	0.1
601.26556	0.8
619.27545	4.9
620.27942	0.1
781.32050	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	21.2
57.03442	15.9
57.07070	5.0
65.03924	4.1
67.05505	82.5
67.39697	2.9
69.07063	19.9
69.69565	2.8
71.50047	5.5
74.09712	3.4
75.64838	2.7
79.05486	44.9
81.07056	78.0
83.08628	8.7
85.02917	3.0
91.05479	35.0
93.04823	2.9
93.07040	56.9
95.04981	5.1
95.08607	60.3
97.10180	3.7
105.07035	26.8
107.08593	29.9
109.10172	24.4
117.07036	9.7
119.08613	17.1
121.10148	21.3
123.11708	7.7
131.08583	8.8
133.10146	11.7
135.11690	15.6
143.08527	3.7
145.10121	12.4
147.11697	12.8
149.13293	10.0
157.10098	3.0
159.11739	9.3
161.13263	9.2
163.14877	4.9
173.13306	6.5
175.14835	3.2
187.14833	3.0
241.19551	3.6
243.21391	5.8
259.20569	5.7
261.22195	20.5
306.39789	2.6
317.24908	3.6
333.24390	5.6
335.25781	100.0
337.27524	11.0
396.55438	3.2
401.88351	2.9
477.11786	3.0
595.47327	15.9
613.48212	11.2
730.43408	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	790.4941
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	4.6
55.05301	1.9
55.05513	22.4
56.48919	1.5
56.81136	1.6
57.03442	10.9
61.02924	4.0
61.90168	1.9
65.03937	2.8
67.05172	2.8
67.05507	41.3
69.03419	2.6
69.07072	12.7
71.04984	7.1
71.60424	2.4
79.05495	39.3
79.17333	1.7
81.03422	40.4
81.07059	37.1
83.04977	5.8
83.08625	15.2
85.02892	3.4
85.06526	3.4
86.09719	1.7
91.05481	44.9
93.07049	43.6
95.04974	20.6
95.08610	23.1
97.02908	4.7
97.06531	6.7
97.10184	8.7
99.08134	2.5
105.07029	35.2
107.04919	4.1
107.08585	22.9
109.06504	4.7
109.10141	11.5
111.08102	3.7
117.07024	15.4
119.08572	29.6
121.06482	5.4
121.10150	20.6
123.08073	5.7
123.11668	2.7
125.09638	8.5
127.03890	2.3
128.06274	2.7
129.07021	14.8
131.08574	22.4
133.10133	23.7
135.08022	4.8
135.11687	7.7
137.09636	3.4
141.07056	3.1
142.07732	1.9
143.08614	10.8
145.10121	19.0
147.08017	2.3
147.11679	11.3
149.09625	4.9
149.13260	3.3
151.11081	2.0
155.08583	4.6
157.10138	13.6
159.08006	2.1
159.11708	10.9
161.09613	2.4
161.13260	7.6
163.11153	4.4
169.10132	6.5
171.10382	2.1
171.11647	9.7
173.09549	1.8
173.11955	2.1
173.13205	9.7
175.11197	5.2
175.14854	4.6
183.11649	6.3
184.07381	3.4
185.13266	6.1
187.11195	1.9
187.14796	3.0
189.11273	3.8
189.16446	2.2
193.12184	5.7
195.11790	2.0
197.13284	3.3
199.14890	3.0
201.16360	1.9
207.11719	2.5
209.13318	2.3
211.13213	2.3
211.14989	2.6
221.13214	2.1
227.12685	9.4
241.19604	3.9
259.20581	10.9
261.19025	1.9
267.15903	15.0
275.19995	2.3
283.15369	2.9
283.20590	2.2
299.23734	7.1
333.24265	9.6
421.25864	7.0
433.31149	11.2
435.27448	6.0
448.17825	1.9
451.31964	8.5
461.28671	2.7
469.32962	6.0
499.34421	1.8
507.34836	4.9
517.34888	3.3
525.35797	53.7
526.36145	3.3
543.36816	100.0
544.37207	4.8
557.38623	13.6
559.36353	2.3
567.37476	2.3
575.39673	19.2
639.90186	2.0
791.37646	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	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05508	33.2
56.96553	1.4
57.03435	29.9
57.07071	2.0
58.28849	0.9
59.04996	3.0
59.45496	1.1
61.02918	7.3
62.18168	1.0
65.03934	5.9
66.99180	1.0
67.05499	87.9
68.05843	1.5
69.03429	20.8
69.07063	50.6
69.85745	5.2
69.86155	2.5
71.01346	3.0
71.04990	26.2
73.02899	6.5
77.03918	1.2
79.05488	89.2
80.05821	1.3
81.03414	77.7
81.07053	95.3
82.07397	1.7
83.01358	2.3
83.04479	1.7
83.04974	33.5
83.08134	2.5
83.08614	41.4
84.08150	1.3
85.02905	32.3
85.03425	1.8
85.06536	9.1
87.04458	1.6
87.38093	1.0
91.03960	1.9
91.05474	79.0
93.07037	73.1
94.07363	2.0
95.04961	46.3
95.08598	42.3
97.02885	17.5
97.06525	100.0
97.10155	12.3
98.20741	1.2
99.04452	4.8
99.08084	8.6
101.02355	1.7
103.03941	2.2
103.05437	2.7
105.04523	1.9
105.07024	58.5
107.04952	23.7
107.08592	43.2
109.02883	4.9
109.06509	29.6
109.10155	24.5
111.04427	6.6
111.08079	22.1
113.05986	6.1
113.09669	1.6
114.08957	1.0
115.05466	5.7
115.07561	28.2
116.06211	1.7
117.07007	25.9
119.04908	1.2
119.08573	46.9
120.08961	1.1
121.06496	11.1
121.10139	28.1
121.11003	1.4
123.04431	2.4
123.08057	12.3
123.11693	6.1
125.05982	2.4
125.09644	8.3
127.03913	6.7
127.07570	3.3
128.06238	4.0
129.05470	3.4
129.06996	20.1
129.53830	1.1
130.07765	2.2
131.04861	1.7
131.07051	2.2
131.08556	37.5
133.06505	8.6
133.10121	36.6
134.67117	1.1
135.08043	13.9
135.11679	17.0
137.09613	6.1
139.07536	2.2
141.06992	2.7
142.07758	3.3
143.08551	11.7
145.05048	1.5
145.06441	4.8
145.10120	25.8
147.08055	11.2
147.11676	22.9
149.05922	1.1
149.09612	17.2
149.13249	9.9
151.07506	1.3
151.11130	5.5
153.09152	1.3
153.12694	1.7
155.08545	4.5
157.10114	22.9
159.08063	4.4
159.11684	14.7
161.09641	8.1
161.13255	4.5
163.11169	16.5
165.12762	4.3
167.08557	2.2
167.10776	1.4
169.10095	5.3
171.10318	1.6
171.11610	6.4
173.04518	7.8
173.05916	1.7
173.09625	4.3
173.11722	4.2
173.13300	4.1
175.11174	21.5
175.12556	2.0
177.12738	6.6
181.12256	4.2
183.11661	2.3
184.07326	2.8
185.09660	3.5
185.13327	3.8
187.11131	3.4
187.14767	1.3
189.11221	3.6
189.12723	1.8
191.10674	3.7
193.10403	2.5
193.12222	47.3
195.11967	1.7
195.13803	5.7
197.13243	1.3
199.11191	1.5
199.14825	4.0
201.07571	1.5
201.12740	2.3
201.16350	1.2
203.14323	1.5
205.12262	1.9
209.11691	2.5
211.13268	73.8
215.14424	1.7
217.15831	10.7
219.13713	1.8
221.15399	2.2
226.03691	1.1
227.12743	11.9
227.17999	3.1
229.14276	11.8
231.13713	1.3
231.17543	1.3
233.15408	5.5
235.16946	2.1
245.18980	6.9
249.14862	3.0
251.16293	1.4
253.14366	4.5
255.17473	4.0
257.18988	3.5
265.14368	1.5
267.09033	1.2
267.15891	31.4
268.16266	1.4
269.17450	32.4
273.18469	41.7
275.20041	13.3
279.15854	1.5
283.15387	40.4
283.18533	2.2
284.15863	1.3
285.10278	2.0
285.16943	70.1
286.17435	1.5
291.19525	27.7
293.21115	2.7
294.07816	1.2
303.19498	1.8
307.18991	5.3
309.20660	2.0
313.21576	1.8
323.18860	1.4
329.20941	2.9
341.19525	1.9
345.20633	1.5
347.22192	20.5
349.23782	8.3
365.23166	17.0
367.24768	4.4
383.24298	2.9
421.25681	1.2
437.25253	22.4
447.27682	3.1
453.24786	1.2
459.27603	1.5
461.28845	14.3
463.26639	1.5
465.28949	5.0
469.29330	1.2
477.21381	1.2
477.28488	29.1
479.30051	33.2
481.28256	1.6
483.31076	3.0
485.28735	1.2
495.29727	1.8
499.30444	2.7
501.32037	2.4
503.29752	1.4
507.29410	2.1
517.31628	6.5
533.30994	2.0
539.33746	10.0
557.34698	42.8
558.34473	1.7
575.35730	35.8
576.36322	1.7
581.29315	1.7
593.36884	13.8
701.38531	2.0
737.40851	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	15.7
55.05260	3.7
55.05513	48.8
57.03436	26.6
57.07073	3.3
59.04985	3.2
61.02917	5.7
65.03951	5.6
67.05505	100.0
69.03434	16.5
69.07069	35.2
70.53355	2.2
70.67612	8.8
71.01350	5.2
71.04987	9.6
73.02920	5.6
79.05493	74.6
81.03426	68.8
81.07058	98.7
83.01313	2.2
83.04982	26.1
83.08610	33.8
85.02892	23.4
85.06534	8.6
91.05480	85.3
92.05792	2.3
93.07049	76.2
95.04971	38.7
95.08607	45.1
97.02886	13.2
97.06529	25.3
97.10167	16.5
99.08084	5.2
103.05450	2.9
105.07032	74.1
107.04968	16.4
107.08595	46.8
109.02875	4.6
109.06506	11.4
109.10156	35.6
111.04451	6.0
111.08064	15.9
115.05452	5.2
115.47278	2.6
117.07021	24.2
118.91131	2.5
119.07785	4.7
119.08587	52.7
121.06497	9.5
121.10152	28.4
123.08057	10.2
123.11725	4.8
125.09612	11.1
127.03849	3.2
128.06183	2.5
129.05481	7.7
129.06967	16.4
131.08562	29.1
133.06471	5.5
133.10129	42.1
135.08058	11.6
135.11693	20.8
137.09630	12.4
139.69362	2.2
142.07715	3.5
143.06975	3.2
143.08580	9.4
145.06558	2.9
145.10118	21.5
147.08064	8.9
147.11705	26.2
149.09601	17.2
149.13324	12.2
151.11206	5.8
153.12782	3.4
155.08614	2.8
157.10130	19.9
159.11671	15.5
161.09596	5.1
161.13234	7.3
162.15544	2.7
162.99513	2.4
163.11211	15.7
165.12785	4.4
169.10065	3.4
171.11739	6.0
173.09695	3.6
173.11765	7.4
173.13271	5.5
175.11209	16.4
175.22707	2.4
177.12791	5.2
179.10686	2.8
183.11702	2.6
184.07321	6.6
185.13155	2.8
187.13298	2.6
189.11281	3.9
193.12273	38.3
195.40942	2.4
199.14943	3.1
209.11671	4.6
211.13295	39.8
225.11282	2.8
227.12766	10.2
229.14362	8.8
229.19620	2.6
241.19609	4.4
243.15959	2.7
250.66679	2.3
253.14439	10.0
255.15910	7.4
257.19037	5.9
259.20590	20.4
267.15933	19.4
269.17487	10.0
273.18576	6.8
275.20090	22.5
283.15469	16.6
285.17032	33.6
291.19583	7.5
293.20602	2.7
299.14883	19.2
301.16431	17.1
333.24316	15.7
341.04605	2.5
349.23825	22.6
355.85211	2.6
365.23312	4.8
421.25491	3.0
439.26682	5.4
447.27582	4.1
453.28470	4.0
459.27408	3.0
461.29056	2.7
465.28745	3.3
477.28568	9.4
479.29868	3.1
481.27908	3.3
495.29312	8.4
539.33740	5.1
541.35181	7.9
557.34967	21.2
558.34888	3.3
559.36426	14.6
575.35913	21.8
593.36920	3.5
791.40277	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	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	12.1
55.05508	33.2
56.96553	1.4
57.03435	29.9
57.07071	2.0
58.28849	0.9
59.04996	3.0
59.45496	1.1
61.02918	7.3
62.18168	1.0
65.03934	5.9
66.99180	1.0
67.05499	87.9
68.05843	1.5
69.03429	20.8
69.07063	50.6
69.85745	5.2
69.86155	2.5
71.01346	3.0
71.04990	26.2
73.02899	6.5
77.03918	1.2
79.05488	89.2
80.05821	1.3
81.03414	77.7
81.07053	95.3
82.07397	1.7
83.01358	2.3
83.04479	1.7
83.04974	33.5
83.08134	2.5
83.08614	41.4
84.08150	1.3
85.02905	32.3
85.03425	1.8
85.06536	9.1
87.04458	1.6
87.38093	1.0
91.03960	1.9
91.05474	79.0
93.07037	73.1
94.07363	2.0
95.04961	46.3
95.08598	42.3
97.02885	17.5
97.06525	100.0
97.10155	12.3
98.20741	1.2
99.04452	4.8
99.08084	8.6
101.02355	1.7
103.03941	2.2
103.05437	2.7
105.04523	1.9
105.07024	58.5
107.04952	23.7
107.08592	43.2
109.02883	4.9
109.06509	29.6
109.10155	24.5
111.04427	6.6
111.08079	22.1
113.05986	6.1
113.09669	1.6
114.08957	1.0
115.05466	5.7
115.07561	28.2
116.06211	1.7
117.07007	25.9
119.04908	1.2
119.08573	46.9
120.08961	1.1
121.06496	11.1
121.10139	28.1
121.11003	1.4
123.04431	2.4
123.08057	12.3
123.11693	6.1
125.05982	2.4
125.09644	8.3
127.03913	6.7
127.07570	3.3
128.06238	4.0
129.05470	3.4
129.06996	20.1
129.53830	1.1
130.07765	2.2
131.04861	1.7
131.07051	2.2
131.08556	37.5
133.06505	8.6
133.10121	36.6
134.67117	1.1
135.08043	13.9
135.11679	17.0
137.09613	6.1
139.07536	2.2
141.06992	2.7
142.07758	3.3
143.08551	11.7
145.05048	1.5
145.06441	4.8
145.10120	25.8
147.08055	11.2
147.11676	22.9
149.05922	1.1
149.09612	17.2
149.13249	9.9
151.07506	1.3
151.11130	5.5
153.09152	1.3
153.12694	1.7
155.08545	4.5
157.10114	22.9
159.08063	4.4
159.11684	14.7
161.09641	8.1
161.13255	4.5
163.11169	16.5
165.12762	4.3
167.08557	2.2
167.10776	1.4
169.10095	5.3
171.10318	1.6
171.11610	6.4
173.04518	7.8
173.05916	1.7
173.09625	4.3
173.11722	4.2
173.13300	4.1
175.11174	21.5
175.12556	2.0
177.12738	6.6
181.12256	4.2
183.11661	2.3
184.07326	2.8
185.09660	3.5
185.13327	3.8
187.11131	3.4
187.14767	1.3
189.11221	3.6
189.12723	1.8
191.10674	3.7
193.10403	2.5
193.12222	47.3
195.11967	1.7
195.13803	5.7
197.13243	1.3
199.11191	1.5
199.14825	4.0
201.07571	1.5
201.12740	2.3
201.16350	1.2
203.14323	1.5
205.12262	1.9
209.11691	2.5
211.13268	73.8
215.14424	1.7
217.15831	10.7
219.13713	1.8
221.15399	2.2
226.03691	1.1
227.12743	11.9
227.17999	3.1
229.14276	11.8
231.13713	1.3
231.17543	1.3
233.15408	5.5
235.16946	2.1
245.18980	6.9
249.14862	3.0
251.16293	1.4
253.14366	4.5
255.17473	4.0
257.18988	3.5
265.14368	1.5
267.09033	1.2
267.15891	31.4
268.16266	1.4
269.17450	32.4
273.18469	41.7
275.20041	13.3
279.15854	1.5
283.15387	40.4
283.18533	2.2
284.15863	1.3
285.10278	2.0
285.16943	70.1
286.17435	1.5
291.19525	27.7
293.21115	2.7
294.07816	1.2
303.19498	1.8
307.18991	5.3
309.20660	2.0
313.21576	1.8
323.18860	1.4
329.20941	2.9
341.19525	1.9
345.20633	1.5
347.22192	20.5
349.23782	8.3
365.23166	17.0
367.24768	4.4
383.24298	2.9
421.25681	1.2
437.25253	22.4
447.27682	3.1
453.24786	1.2
459.27603	1.5
461.28845	14.3
463.26639	1.5
465.28949	5.0
469.29330	1.2
477.21381	1.2
477.28488	29.1
479.30051	33.2
481.28256	1.6
483.31076	3.0
485.28735	1.2
495.29727	1.8
499.30444	2.7
501.32037	2.4
503.29752	1.4
507.29410	2.1
517.31628	6.5
533.30994	2.0
539.33746	10.0
557.34698	42.8
558.34473	1.7
575.35730	35.8
576.36322	1.7
581.29315	1.7
593.36884	13.8
701.38531	2.0
737.40851	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	9.3
55.05509	28.8
56.96579	1.4
57.03437	18.4
59.05002	15.1
61.02914	4.6
61.62609	1.2
63.98487	1.1
67.05507	45.2
69.03429	6.2
69.07075	10.9
69.07386	2.0
69.31837	1.5
69.55337	5.5
69.55766	4.9
71.04982	9.9
73.02884	2.6
79.05494	37.5
81.03419	56.0
81.07058	38.9
83.01334	7.2
83.04985	23.3
83.08142	1.7
83.08621	26.7
85.02907	21.8
85.06528	2.5
87.04466	9.5
91.03944	2.1
91.05476	39.2
93.07047	30.8
95.04971	28.4
95.08607	16.5
97.02902	7.0
97.06526	7.8
97.10159	12.3
99.04456	5.6
105.07035	23.6
107.04955	14.1
107.08591	20.8
109.06504	8.3
109.10164	18.5
111.04459	7.9
111.05106	1.5
111.08075	13.2
113.06018	2.3
115.03983	1.5
115.05483	2.0
117.07010	8.6
119.04943	2.0
119.08580	28.3
121.06497	5.4
121.10160	11.9
123.08046	10.2
123.11706	1.9
125.05983	2.1
125.09629	11.9
127.03909	1.5
128.06200	2.1
129.05502	2.6
129.06979	8.8
131.04953	1.6
131.08562	14.0
133.06480	3.7
133.10133	10.7
135.08044	6.5
135.11697	12.5
137.09648	5.4
142.07793	3.9
143.08530	2.1
145.06454	2.6
145.10136	14.6
147.08049	5.1
147.11716	12.7
149.09598	6.9
153.12692	3.7
155.08519	3.0
157.10127	9.6
159.08055	4.5
160.19997	1.3
161.09666	2.0
163.07527	2.1
163.11174	21.4
165.09099	1.4
165.12683	2.1
168.76694	1.4
173.09621	5.5
173.11731	5.1
175.11214	9.7
181.12210	4.9
183.11742	1.7
189.11174	2.4
191.10655	4.7
193.12239	38.6
199.13280	2.8
209.11710	7.9
211.13292	43.7
217.89258	1.5
227.12814	17.0
229.14395	13.4
248.88361	1.5
251.61401	1.5
267.15897	23.5
271.16876	5.1
273.18533	1.7
283.15390	25.2
285.16959	51.5
286.17410	2.0
287.05334	1.5
289.17987	13.4
307.18945	7.4
363.21603	6.7
381.22726	27.3
383.24411	2.5
457.25842	2.9
475.26904	24.0
493.27994	100.0
494.28491	2.5
555.33246	7.8
573.33954	18.2
591.26074	1.8
591.35260	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	788.4424
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	20.9
55.05511	58.8
57.03439	28.2
57.07071	5.7
57.98597	3.0
59.04998	9.8
61.02908	6.5
63.07573	2.7
65.03956	4.1
66.00644	3.0
67.05506	98.8
69.03436	16.6
69.07068	61.5
71.01347	5.2
71.04987	13.9
71.59752	5.1
73.02916	5.1
75.86062	2.6
79.05058	6.6
79.05496	79.1
81.03426	46.9
81.07058	100.0
83.01341	8.2
83.04987	31.8
83.08611	30.8
85.02902	16.8
85.06541	6.0
88.59245	3.8
91.05483	81.8
93.07047	85.8
95.04983	33.2
95.08610	50.2
97.02906	16.9
97.06538	22.5
97.10168	13.5
99.04444	6.7
99.08099	3.4
100.28241	3.0
103.05468	3.7
105.07029	53.8
107.04969	27.6
107.08599	44.6
109.02841	5.0
109.06513	18.1
109.10153	36.9
111.04442	7.7
111.08080	10.7
117.07039	18.3
119.04971	3.9
119.08587	47.6
121.06496	12.8
121.10157	27.1
123.08076	26.8
123.11724	4.3
125.09638	11.2
127.03931	7.7
129.05534	5.3
129.07010	6.4
130.07755	5.3
131.08607	24.7
133.06506	3.6
133.10110	32.8
135.08047	11.0
135.11676	26.2
136.38847	3.1
137.09607	16.4
139.07542	4.8
139.11308	3.2
143.08560	7.5
145.10123	37.2
147.08072	6.7
147.11723	15.5
149.09595	26.2
149.13144	3.5
151.11194	10.3
153.12724	7.8
155.08586	4.8
157.10194	5.7
159.11664	11.2
161.09621	5.7
161.13237	6.7
163.11162	44.9
165.09100	3.3
171.11752	4.7
173.09724	5.6
173.11687	10.0
173.13191	7.1
175.11255	4.4
179.14229	3.3
181.12241	10.8
183.11600	3.2
187.49539	3.9
189.11127	5.0
191.10706	5.1
193.12198	5.1
199.13219	3.6
201.16449	3.1
209.11723	10.4
211.13292	9.6
223.13376	8.3
227.12860	16.0
229.14398	13.1
243.16109	5.2
253.14412	11.0
257.19043	9.1
267.15927	9.8
273.18619	11.0
275.20117	28.8
283.15405	95.4
285.17010	5.0
291.19489	23.4
293.21185	5.0
301.16650	7.2
317.27380	3.1
349.23703	37.1
365.23352	12.5
379.21240	14.2
437.25342	26.3
451.27261	8.1
461.28815	11.1
463.26599	3.9
475.26971	3.8
477.28525	4.4
491.27188	3.3
557.34814	48.8
573.34216	7.5
575.35645	6.8
591.35217	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	788.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	19.5
55.05262	3.2
55.05511	46.0
57.03438	33.8
59.04980	5.4
61.02912	7.1
61.27758	2.0
61.65319	2.6
65.03927	5.8
67.05504	81.6
69.03425	22.8
69.06727	3.5
69.07066	57.3
69.32386	25.4
71.01303	3.0
71.04989	20.4
73.02899	7.6
79.05490	92.0
81.03416	90.6
81.07057	95.4
83.01340	4.5
83.04977	35.3
83.08145	3.0
83.08619	38.5
85.02901	35.6
85.06525	6.3
91.03954	3.6
91.05479	88.9
93.07043	82.7
95.04971	43.8
95.08076	1.7
95.08604	42.8
97.02874	19.3
97.06529	69.2
97.10160	15.8
99.04453	7.3
99.08092	4.6
102.67670	2.0
103.05457	2.7
105.07021	63.3
107.04945	28.1
107.08589	51.0
109.02868	9.5
109.06515	28.2
109.10159	21.1
110.54052	2.3
111.04427	8.7
111.08092	21.6
113.05981	7.0
115.05432	6.1
115.07587	16.0
116.06282	2.5
117.07008	31.9
119.04942	4.5
119.08574	54.7
121.06473	15.4
121.10150	23.4
123.04382	4.4
123.08086	14.6
123.11676	2.8
125.09622	15.1
127.03907	8.5
128.06230	4.3
129.05493	3.5
129.06998	25.5
131.04985	2.4
131.08563	41.5
133.06461	8.8
133.10129	33.9
135.08038	24.8
135.11697	17.6
137.05959	3.9
137.09615	9.5
139.07545	4.2
141.06946	2.8
142.07799	3.9
143.08592	14.1
145.06430	5.4
145.10109	26.4
147.08047	15.0
147.11678	18.4
149.09583	16.3
149.13248	2.6
151.07538	3.8
151.11174	7.0
153.09090	4.9
153.12744	7.6
155.08522	6.2
157.10138	23.1
159.08018	7.9
159.11652	12.6
161.09636	12.4
161.13286	2.2
163.07512	6.5
163.11157	22.1
165.12787	5.3
169.10109	4.3
171.07938	2.6
171.11655	6.1
173.04430	4.7
173.09573	7.1
173.11777	3.7
173.13252	3.5
175.11227	17.8
179.10600	4.4
181.10083	2.6
181.12279	5.6
185.09564	2.9
185.13196	3.9
189.09187	3.8
189.11240	8.2
191.10667	5.4
191.14305	3.1
193.12227	57.0
193.13864	4.5
195.13727	2.5
197.13342	2.7
199.14812	4.2
203.14351	3.2
209.11736	8.8
211.11298	4.7
211.13278	63.0
215.14235	3.7
217.15887	7.8
227.12752	18.0
227.17854	2.6
229.14191	2.8
233.15395	6.8
243.17657	2.6
245.13680	3.7
245.18962	4.6
247.16908	2.8
249.14897	4.1
253.14337	6.6
261.18533	3.1
267.15884	22.4
269.17468	14.4
271.16873	9.5
273.18420	29.1
275.20050	5.0
283.15393	75.3
285.16956	57.9
289.17953	30.0
290.18469	2.5
291.19452	17.2
299.14908	6.5
301.16620	2.5
307.19067	11.4
327.19553	2.3
329.21136	3.5
339.17838	3.5
347.22217	9.8
349.23907	3.1
363.21719	12.7
365.23044	8.5
381.22748	49.8
420.15421	2.4
459.27615	2.3
463.27429	4.2
475.26971	2.3
477.28387	29.3
479.26328	3.1
481.29373	4.3
493.27823	4.8
497.28888	2.8
499.30820	3.2
515.29822	8.3
555.33185	34.8
573.34247	61.0
574.34125	2.8
591.26013	5.2
591.35297	100.0
592.35400	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	787.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01658	2.9
55.01878	27.5
55.05513	37.1
56.05807	2.2
57.02674	2.6
57.03451	16.2
57.07080	4.6
57.91254	2.4
61.02915	6.8
61.66560	2.3
65.03941	6.5
67.05505	90.8
69.03444	18.0
69.07071	51.1
71.05000	7.7
71.08576	2.5
71.59326	3.8
73.02914	4.3
79.05063	4.1
79.05499	69.5
81.03422	39.4
81.07060	100.0
83.04991	12.3
83.08620	19.1
85.02901	14.1
85.06561	8.0
91.03967	2.9
91.05483	91.0
93.07043	75.9
95.01331	4.9
95.04973	25.2
95.08611	58.3
95.09120	2.0
97.02877	13.9
97.06534	40.4
97.10148	7.9
99.04476	5.5
99.08091	3.3
103.05486	3.6
105.07037	85.9
107.04977	18.9
107.08591	45.1
109.02881	5.6
109.06513	11.1
109.10152	27.3
111.08088	6.8
115.05440	3.4
117.07012	26.4
119.08582	76.4
121.06500	11.7
121.10146	32.9
123.08067	10.0
123.11713	6.7
125.09638	7.3
127.03990	5.7
128.06207	3.3
128.99553	2.4
129.05511	3.8
129.07002	18.8
130.07745	2.6
131.08572	49.0
133.06523	3.7
133.10141	58.0
135.08087	7.1
135.11685	23.6
136.12061	2.5
137.09615	5.5
141.07004	5.9
142.07756	4.0
143.08569	19.1
143.22238	2.5
145.06482	6.9
145.10141	29.5
147.08055	6.0
147.11688	37.4
148.67325	2.4
149.09645	10.0
149.13269	11.9
151.11212	4.6
153.12645	2.7
153.64117	2.7
155.08578	11.3
157.10144	21.9
158.20598	2.4
159.08063	3.5
159.11685	29.7
161.09610	8.8
161.13243	22.1
163.11209	8.7
163.14818	2.9
165.09183	3.0
167.08604	4.3
168.09317	3.4
169.10126	12.6
171.11696	22.9
173.04446	16.6
173.09694	3.7
173.13266	18.3
175.11159	6.7
175.14857	8.9
177.12772	6.3
179.14316	6.0
181.10144	6.5
183.11670	12.2
185.13210	12.6
187.11215	4.5
187.14847	7.6
193.10184	2.7
195.11676	8.2
195.13744	2.5
197.13249	8.9
199.11143	4.6
199.14854	6.6
204.72510	2.3
207.11688	3.7
209.13249	6.6
211.14888	5.6
213.16579	4.0
215.17888	2.5
216.90636	2.6
221.13292	2.7
223.14796	4.7
237.16519	2.9
239.17909	5.3
241.19484	16.6
241.88519	2.9
247.20403	2.6
253.14404	3.2
257.19003	9.7
259.20563	17.3
267.15976	5.2
269.17389	3.2
271.20752	4.1
273.18546	8.3
275.20059	51.7
277.21625	5.5
289.21790	2.9
291.19711	2.6
293.21106	3.3
297.22092	3.6
315.23138	6.7
325.21466	3.7
333.24277	34.8
335.25909	13.0
343.22794	2.5
349.23828	29.0
357.24149	2.6
403.24942	2.9
509.35837	4.2
513.35736	4.9
515.37933	5.9
525.36224	3.6
527.37634	18.7
533.39594	3.7
543.36987	4.0
597.44672	3.6
607.43573	77.5
608.43689	3.7
625.44598	61.3
653.40387	6.7
671.41321	5.9
689.42554	11.2
715.45343	3.6
733.46606	5.9
769.48285	6.9
787.49841	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	787.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	10.0
55.05515	36.3
57.03442	20.7
57.07066	8.3
61.02919	11.6
65.03938	5.4
65.12697	3.8
67.05167	7.2
67.05506	98.0
69.03443	28.2
69.07076	37.2
71.04986	11.2
71.08623	4.4
71.60207	7.7
73.02929	9.5
75.67046	3.6
79.05061	6.2
79.05495	94.9
80.42937	3.8
81.03419	50.0
81.07059	100.0
83.04984	16.9
83.08620	22.1
85.02907	16.0
85.06548	9.3
91.05487	86.5
93.07046	89.2
95.04978	22.8
95.08608	76.6
96.20154	3.8
97.02885	26.7
97.06522	21.4
97.10191	9.8
99.04449	8.1
99.08084	6.5
102.66126	5.7
105.07030	84.1
107.04914	9.5
107.08606	49.8
109.02879	12.3
109.06519	16.4
109.10139	32.1
111.08107	10.6
113.73847	5.1
115.05484	6.8
117.07007	30.7
119.08586	60.7
121.06499	9.7
121.10161	36.2
123.08095	7.3
123.11714	9.6
125.09649	5.3
127.03921	13.0
128.06250	7.7
129.05496	5.8
129.07037	22.6
131.08577	36.1
133.10127	52.4
135.08073	10.9
135.11682	23.2
137.09619	9.6
140.02165	4.1
141.06960	9.2
142.07755	7.1
143.08562	26.0
145.10121	45.0
147.08052	5.5
147.11690	40.3
149.09616	8.6
149.13242	13.2
151.11191	6.6
155.08568	11.0
157.10139	21.5
159.11696	32.4
161.09669	9.8
161.13284	18.6
163.11230	8.6
167.08577	5.3
169.10164	17.6
171.11710	23.2
173.04500	21.0
173.09656	6.0
173.13268	20.4
175.11269	6.2
175.14780	6.3
177.12755	5.5
181.10149	8.6
183.11734	12.3
185.13249	18.2
187.14902	5.2
189.12744	4.4
193.10263	4.4
195.11699	6.0
197.13306	11.9
199.13205	4.2
199.14854	9.9
209.13223	8.1
211.14925	7.5
213.16388	4.9
221.13261	4.7
227.12775	5.7
227.17815	6.0
229.14432	5.3
257.19012	5.5
259.20569	14.1
261.22186	9.3
267.15933	8.7
269.17554	7.3
273.18503	12.8
275.19977	19.5
291.19870	6.1
301.21576	5.4
315.23291	4.7
331.22681	5.0
333.24414	19.6
335.26007	25.0
347.22137	6.7
349.23801	7.3
385.23624	4.2
403.24725	4.8
451.81549	5.1
509.35956	5.3
513.35657	12.0
515.39038	4.4
527.37463	26.4
545.38446	9.6
551.40668	5.5
553.39575	5.4
607.43622	55.4
608.44214	5.4
625.44733	74.6
629.19525	5.1
635.39056	7.9
671.06403	4.5
671.41754	7.6
689.42230	19.7
715.46259	5.7
733.46124	4.9
769.48541	7.7
787.49316	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	781.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.4
56.96583	0.5
57.03446	0.4
61.02937	0.8
61.72025	0.2
63.94712	0.2
67.05514	0.5
67.85729	0.2
69.03436	2.4
69.07097	0.3
70.06615	0.7
70.74102	0.6
71.05022	0.2
71.08556	0.2
73.02924	0.4
79.05505	0.5
80.05046	0.3
81.03421	1.2
81.07098	0.3
82.06583	0.3
85.02911	3.7
86.09730	0.4
87.04494	0.3
89.39781	0.2
91.05515	1.1
92.04981	0.3
93.05799	0.7
93.07062	0.9
94.06588	0.3
95.04961	0.6
95.08657	0.2
96.04554	0.2
97.02885	1.8
97.06530	0.6
99.04463	0.2
105.07027	0.3
106.06563	0.3
108.04510	0.2
108.08124	3.2
109.02908	0.6
110.06101	0.2
110.09686	1.2
118.06576	0.3
120.08119	1.9
122.06068	0.5
122.09673	1.4
124.07635	0.3
127.03956	0.6
134.06020	0.3
135.06778	0.2
136.07585	24.6
137.07884	0.4
138.09160	0.6
140.07098	0.4
145.04991	0.3
146.05988	0.3
147.03293	0.3
148.03926	0.3
148.07574	2.6
149.00217	0.2
150.05507	0.3
150.09203	0.5
152.07095	0.6
160.03978	0.9
161.04793	0.4
162.05540	0.4
164.05682	0.4
164.07072	8.2
165.24390	0.2
166.08659	3.0
167.07120	0.3
170.08403	0.3
174.09035	0.2
176.07082	0.4
178.05023	2.7
181.08942	0.3
182.08131	0.3
182.09639	0.3
185.07190	0.6
185.10727	0.3
186.09090	0.3
187.04987	0.2
187.08760	0.2
188.03506	0.3
195.09111	0.4
197.10899	0.4
199.08615	1.1
200.10901	0.3
201.06613	2.7
201.10303	0.7
209.10765	0.6
210.09166	0.4
210.11336	0.4
210.13052	0.3
211.08676	0.4
213.06596	3.3
213.10201	2.2
214.08769	0.3
215.11908	0.3
219.07709	0.8
223.08646	0.6
223.12280	0.4
224.09465	1.2
225.10245	0.6
225.13895	0.8
227.08212	1.6
227.11754	1.1
227.15515	0.6
228.06718	0.3
228.10396	0.3
229.09776	1.7
231.07619	2.0
234.74734	0.2
237.10291	1.2
238.08722	0.4
238.10852	0.3
239.11667	1.0
240.06419	0.3
240.12650	0.4
241.09714	3.0
241.13512	0.7
242.14107	1.3
243.07582	0.2
243.11441	0.3
245.09077	0.4
247.08366	0.3
247.10680	0.3
251.08205	0.6
252.08946	0.4
253.13441	1.8
254.11861	0.6
254.14264	0.4
255.07607	1.8
255.11324	2.6
255.15010	0.6
257.09192	1.1
257.12885	0.6
259.10764	0.5
265.09787	1.4
266.08170	0.5
267.11392	0.3
268.09662	0.3
269.09207	5.6
269.12399	0.2
270.09683	0.2
271.14398	1.0
273.08722	0.9
273.12653	0.4
273.15964	3.5
275.10159	0.4
281.12860	4.7
283.10803	5.9
285.12491	0.5
287.05643	0.3
287.10153	1.1
293.09250	1.1
298.12787	0.6
299.13898	4.2
301.11926	1.1
303.13437	3.2
311.10272	30.3
312.10782	1.0
313.11789	0.4
315.13394	0.5
326.12311	0.5
329.11325	100.0
330.11639	3.5
347.12384	0.6
422.20782	0.8
432.18945	0.3
434.20865	0.2
435.21252	0.9
436.19342	0.3
438.20300	5.4
439.20123	0.2
450.20135	2.7
461.19238	0.4
478.19843	0.3
512.80377	0.2
583.26025	1.3
585.26587	0.3
601.26593	23.4
602.26605	1.1
619.27228	0.4
628.24042	0.2
749.30176	0.3
763.31775	4.5
764.31439	0.5
781.31488	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	779.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	0.8
55.05510	1.6
55.50509	0.5
57.03428	1.8
59.05004	0.8
61.02927	5.0
67.05494	4.3
69.03422	2.4
69.07075	1.2
71.01362	1.1
71.04989	1.6
71.52639	1.2
73.02920	3.3
79.05473	3.3
81.03426	3.6
81.07045	4.8
83.08633	1.2
85.02905	4.5
89.20388	0.6
91.03954	3.5
91.05475	3.3
93.07025	4.2
95.04987	1.1
95.08601	3.9
97.02901	3.5
97.06545	1.0
99.04467	1.0
101.02371	1.5
105.07036	2.8
107.08600	1.7
108.20275	0.6
109.02894	1.5
109.10191	1.2
111.08138	0.6
115.03957	0.7
117.07043	0.6
119.08601	1.7
121.10133	1.8
127.03931	0.9
129.05504	0.7
129.07072	0.6
131.08598	1.9
133.10181	1.5
133.44847	0.5
147.11717	1.1
149.09692	0.8
157.10146	1.0
175.11186	1.0
184.07318	1.4
185.04285	0.9
191.19128	0.5
193.12321	1.1
224.97803	0.6
243.08533	2.1
252.42508	0.6
283.15109	5.5
335.25861	0.8
388.72324	0.6
501.23090	12.2
519.29425	7.0
767.73242	0.6
779.45465	100.0
780.46033	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	779.4188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.5
55.05511	1.7
57.03436	2.2
60.72192	0.4
61.02928	4.8
62.12503	0.4
67.05512	4.0
69.03434	2.7
69.07076	2.6
69.25778	4.3
69.26182	0.8
71.01354	0.5
71.05021	0.8
73.02912	2.5
79.05502	3.7
81.03435	4.0
81.07059	3.8
83.05000	1.4
83.08627	2.1
84.08063	0.4
84.57672	0.5
85.02907	7.0
86.09733	1.7
91.03967	3.1
91.05484	3.4
93.07040	3.1
95.04959	2.3
95.08625	2.3
97.02891	4.0
97.06553	1.0
97.10173	0.6
99.04453	0.9
101.02390	1.4
105.07056	2.6
107.04993	0.7
107.08614	1.7
109.02904	0.8
109.06541	0.8
109.10212	0.6
111.08148	0.6
117.07077	0.6
119.08585	2.4
120.35351	0.4
121.10194	1.8
123.11701	0.5
125.00078	0.6
125.09690	0.5
127.03940	1.6
129.07019	1.2
131.08603	1.6
133.10138	1.5
135.11714	0.7
145.10149	0.7
147.11720	0.9
149.09593	0.7
157.10150	1.1
158.43451	0.4
175.11266	1.0
183.83461	0.4
184.07346	4.9
185.07715	0.5
193.12399	1.3
211.13243	0.8
226.52940	0.5
232.50186	0.4
243.08392	3.1
247.26181	0.5
251.12639	1.0
285.17148	0.5
306.18692	1.6
307.14987	0.6
333.20395	2.5
389.23099	0.6
453.21130	0.5
469.20438	10.8
470.20569	0.8
551.28296	3.6
617.36322	0.5
779.41864	100.0
780.42188	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05517	2.9
56.96559	1.1
57.03443	2.8
59.80978	0.6
61.02933	6.3
63.92929	0.5
67.05509	7.3
69.03426	4.4
69.07085	2.9
70.06609	0.6
71.05009	1.5
71.59283	0.6
72.23946	0.6
73.02925	4.2
79.05489	4.9
81.03417	3.9
81.07057	6.5
83.04984	1.8
83.08640	1.6
85.02906	5.4
86.09702	1.3
91.03963	3.6
91.05480	5.0
93.07053	6.4
95.04973	1.9
95.08626	2.5
97.02896	4.9
97.06535	1.3
97.10183	0.7
98.97618	1.4
99.04495	1.5
101.02392	1.9
105.07053	3.8
107.04958	1.3
107.08607	3.1
109.02878	0.8
109.06528	1.1
109.10171	1.5
111.08104	0.6
116.98659	1.6
117.07025	1.3
119.08547	3.1
121.06534	0.7
121.10187	1.5
123.08059	1.0
125.00041	1.0
127.03930	1.5
128.98627	0.8
131.08600	1.0
133.10179	1.8
134.99706	0.9
135.11720	1.8
137.09636	0.7
145.05061	0.6
145.10164	2.0
146.99666	0.7
147.11690	0.7
149.01231	1.6
149.02327	1.3
159.11694	1.0
161.01215	0.9
163.11226	3.0
170.99716	1.6
177.00772	2.0
184.07317	2.6
185.04308	1.0
189.00801	2.3
193.12299	0.8
200.02293	0.9
219.01985	0.8
228.23296	1.2
237.90302	0.5
243.08379	2.7
253.14481	0.6
256.29971	0.5
261.02792	1.0
279.03983	0.6
283.15576	0.8
293.05475	0.7
321.04926	2.8
333.20502	1.3
439.19678	0.9
453.21301	1.4
455.10788	1.6
456.11612	0.9
467.18903	8.6
469.20544	1.7
484.88031	0.7
551.28540	4.6
616.98773	0.6
621.04523	0.6
708.03442	0.6
715.32251	1.3
717.32904	1.6
777.40283	100.0
778.42090	3.0
789.36920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05517	2.9
56.96559	1.1
57.03443	2.8
59.80978	0.6
61.02933	6.3
63.92929	0.5
67.05509	7.3
69.03426	4.4
69.07085	2.9
70.06609	0.6
71.05009	1.5
71.59283	0.6
72.23946	0.6
73.02925	4.2
79.05489	4.9
81.03417	3.9
81.07057	6.5
83.04984	1.8
83.08640	1.6
85.02906	5.4
86.09702	1.3
91.03963	3.6
91.05480	5.0
93.07053	6.4
95.04973	1.9
95.08626	2.5
97.02896	4.9
97.06535	1.3
97.10183	0.7
98.97618	1.4
99.04495	1.5
101.02392	1.9
105.07053	3.8
107.04958	1.3
107.08607	3.1
109.02878	0.8
109.06528	1.1
109.10171	1.5
111.08104	0.6
116.98659	1.6
117.07025	1.3
119.08547	3.1
121.06534	0.7
121.10187	1.5
123.08059	1.0
125.00041	1.0
127.03930	1.5
128.98627	0.8
131.08600	1.0
133.10179	1.8
134.99706	0.9
135.11720	1.8
137.09636	0.7
145.05061	0.6
145.10164	2.0
146.99666	0.7
147.11690	0.7
149.01231	1.6
149.02327	1.3
159.11694	1.0
161.01215	0.9
163.11226	3.0
170.99716	1.6
177.00772	2.0
184.07317	2.6
185.04308	1.0
189.00801	2.3
193.12299	0.8
200.02293	0.9
219.01985	0.8
228.23296	1.2
237.90302	0.5
243.08379	2.7
253.14481	0.6
256.29971	0.5
261.02792	1.0
279.03983	0.6
283.15576	0.8
293.05475	0.7
321.04926	2.8
333.20502	1.3
439.19678	0.9
453.21301	1.4
455.10788	1.6
456.11612	0.9
467.18903	8.6
469.20544	1.7
484.88031	0.7
551.28540	4.6
616.98773	0.6
621.04523	0.6
708.03442	0.6
715.32251	1.3
717.32904	1.6
777.40283	100.0
778.42090	3.0
789.36920	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.3
57.03371	0.6
61.02914	0.8
65.64026	0.1
67.01804	0.2
68.99752	0.4
69.03428	3.3
69.03759	0.2
70.06549	0.3
71.01281	0.2
71.04944	0.3
71.59326	0.2
72.08100	0.1
73.02844	0.6
79.05441	0.2
81.03423	1.3
81.49708	0.1
83.01315	0.1
84.08116	0.2
85.02906	4.9
85.03374	0.2
85.07673	0.1
86.09652	0.3
87.04391	0.6
91.03891	0.2
91.05425	0.2
95.04924	0.3
97.02890	1.9
99.04382	0.4
101.02334	0.2
107.04893	0.4
109.02801	0.5
115.03875	0.1
116.98537	0.2
119.04878	0.2
120.08045	0.2
123.04427	1.6
126.03085	0.2
127.03938	0.9
133.02826	0.7
135.04399	0.9
135.64148	0.1
136.05197	1.7
137.05890	0.4
139.03876	1.3
143.04906	0.2
145.02736	0.2
145.04874	0.4
147.04370	0.2
151.03920	0.8
152.04643	0.3
153.01825	9.5
157.06432	0.2
163.03889	0.3
165.64354	0.1
167.06981	0.2
171.02831	0.4
177.05420	0.3
181.04906	0.1
195.08086	0.3
197.05840	0.1
203.03375	0.3
223.07500	0.4
227.07028	0.2
229.04953	2.4
239.07016	0.3
241.04877	0.2
241.08600	0.2
242.05727	4.5
243.06265	0.3
251.06972	0.4
253.04759	0.2
255.06497	1.6
256.07211	0.5
257.04453	6.7
258.05219	2.1
266.05667	0.2
267.06512	0.5
269.04376	0.6
269.07776	0.6
270.05231	2.8
270.08102	0.1
271.05984	3.0
281.04736	0.2
283.06009	2.5
284.06735	1.2
285.03976	1.5
286.04718	10.7
287.05481	6.6
293.08105	0.1
295.06018	2.6
295.09265	0.3
296.06372	0.1
297.07562	0.6
305.07953	0.2
308.06720	0.5
309.07480	0.9
321.07529	0.5
322.08304	0.4
323.08987	1.1
335.09052	0.1
337.06979	0.3
337.10629	0.2
347.09250	0.3
351.08560	0.6
357.07333	0.2
360.06256	0.7
361.06912	0.4
365.10318	0.3
375.08655	1.8
376.09219	0.2
377.06473	0.2
378.07101	0.2
379.08066	1.7
388.05768	0.2
389.06503	0.8
390.07156	0.1
391.08069	2.3
393.09702	2.1
403.08148	1.5
404.08789	0.3
405.06104	0.4
406.06674	0.3
407.07617	2.8
408.08261	0.4
421.09183	9.8
422.09576	0.6
435.06915	0.2
438.09512	0.6
439.10233	100.0
440.10565	3.6
453.08136	3.4
463.10645	0.2
467.09613	0.4
481.11224	1.3
505.11203	0.2
601.15527	15.6
602.15936	0.6
615.13446	18.8
616.13831	0.6
777.18713	2.4
777.32104	0.1
778.17578	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	776.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
54.86899	0.7
55.01871	4.9
55.02096	0.9
55.05511	38.2
56.74376	0.6
57.03439	16.1
57.07072	3.3
57.95702	0.6
59.05011	3.3
61.02930	3.9
65.03933	3.8
67.05505	100.0
69.03429	4.5
69.07069	20.2
70.54480	0.6
71.01362	1.5
71.04985	4.9
73.02926	1.3
79.05492	41.9
81.03419	7.8
81.07058	64.1
83.04984	5.1
83.08621	16.5
85.02905	16.0
85.06528	3.9
87.04476	6.2
91.03965	1.3
91.05479	24.3
93.07044	45.4
93.25211	0.7
94.24048	0.7
95.04969	6.1
95.08605	43.6
97.02898	4.4
97.06511	4.9
97.10171	23.0
99.08105	1.3
101.02397	0.9
103.03973	1.8
105.07029	16.4
107.04983	2.1
107.08591	29.4
109.02885	0.8
109.06541	3.0
109.10155	56.1
111.04487	2.0
111.08094	4.1
113.09676	0.9
115.05515	0.8
117.07036	8.3
119.08579	17.6
121.06542	1.2
121.10149	21.7
123.08090	2.2
123.11745	5.1
125.09630	19.7
127.03925	1.2
129.05547	0.8
129.07036	2.3
131.08560	11.2
133.10133	10.0
135.08051	1.8
135.11705	12.3
137.09650	3.0
137.13239	2.1
139.11203	1.9
143.08603	1.3
143.10722	2.8
145.10120	9.2
147.08089	0.8
147.11676	7.1
149.09637	1.6
149.13239	5.7
151.11264	1.1
151.14883	0.9
153.12700	1.5
155.08572	1.2
155.10689	2.8
157.10179	1.9
159.11679	6.4
161.13261	4.9
163.11172	5.9
163.14888	2.5
165.12787	1.2
171.11729	2.3
173.09573	1.2
173.10080	0.8
173.11778	15.5
173.13315	4.2
175.14856	2.4
177.16277	0.9
179.14317	0.7
181.12341	1.9
183.10207	0.8
183.11682	1.1
187.14777	3.5
189.11272	1.4
191.10654	1.5
193.12305	2.2
199.13298	11.3
201.16402	1.0
209.11806	2.9
211.13281	0.8
217.14375	2.0
227.12787	6.7
229.14348	50.0
241.14615	0.8
241.19577	1.3
243.21118	5.5
245.13971	2.3
257.13791	1.0
259.20749	2.3
261.22137	18.1
261.24780	1.0
267.15939	4.5
271.20621	1.0
275.20221	0.8
277.21826	1.4
283.15417	2.1
289.21643	1.9
299.14917	1.2
299.23611	1.3
301.16486	18.2
315.23312	1.2
317.24817	2.4
319.17407	0.7
327.23596	1.0
333.24335	1.2
335.25806	80.6
336.26230	1.5
347.23639	0.8
351.25327	1.4
363.25378	2.5
451.32367	1.6
459.34799	2.0
465.20895	0.8
466.21246	0.8
477.35733	12.6
489.35764	17.9
505.35391	1.2
507.36575	0.9
525.35742	1.6
543.36682	4.4
561.37842	10.6
579.38940	3.6
646.97052	0.8
690.35236	3.6
765.53510	0.8
768.68207	0.8
776.42731	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	776.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.0
55.05264	2.8
55.05511	43.2
57.03436	16.3
57.07071	3.9
59.04994	4.0
59.68284	2.1
61.02907	6.3
65.03925	4.2
67.05506	100.0
69.03419	3.6
69.07067	20.6
70.63387	6.0
71.04992	5.8
73.02911	3.0
79.05491	48.6
81.03407	6.4
81.07061	72.6
83.04979	6.3
83.08618	18.1
85.02910	16.7
85.06549	3.4
86.09678	3.6
87.04453	8.6
91.05478	31.1
93.06471	3.6
93.07041	54.0
95.04953	9.9
95.08607	45.0
97.02886	6.3
97.06528	5.5
97.10171	25.2
99.08092	3.9
103.03988	3.2
103.98637	2.4
105.07042	18.2
107.04967	2.9
107.08603	34.2
109.06532	3.6
109.09460	4.2
109.10159	51.4
109.10903	2.5
111.04449	2.1
111.08047	3.3
117.07011	9.8
119.08575	22.4
121.10149	25.1
123.11711	6.9
125.09657	24.4
127.03907	2.4
131.08565	16.1
133.10101	13.9
135.11722	15.7
137.09608	4.7
139.11279	3.2
143.08626	4.1
143.10603	4.0
145.10118	14.8
147.11684	9.7
149.09599	3.8
149.13220	6.5
151.11055	2.4
159.11717	7.8
161.13255	4.4
163.11234	7.3
163.14839	4.6
173.11705	11.0
173.13258	6.8
175.14774	2.3
181.12318	2.9
184.07326	13.7
187.14861	3.5
191.10722	4.7
199.13277	9.2
203.12659	2.3
209.11745	8.0
217.14343	2.5
227.12758	9.2
229.14381	44.5
243.21056	5.6
245.13954	3.5
259.20465	2.6
261.22159	17.0
267.15799	3.2
283.15546	5.3
299.14932	8.7
300.15240	6.1
301.16467	25.9
306.21143	2.5
317.24844	5.7
327.23224	2.7
333.23932	3.0
335.25821	91.0
336.26251	5.3
337.26776	3.7
477.36060	12.2
489.35672	16.0
543.36603	9.7
561.37787	19.2
579.38940	5.9
776.40717	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	774.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.3
55.05267	1.1
55.05510	18.0
57.03434	18.2
57.07064	2.3
61.02904	1.7
62.42941	0.6
65.03928	2.4
67.05499	57.5
69.03404	2.8
69.07061	14.3
71.04988	4.7
71.08619	1.1
73.02919	1.0
79.05486	38.5
81.03411	86.6
81.07050	55.9
81.07468	0.7
82.03752	0.8
82.07374	0.7
83.04977	6.2
83.08614	22.3
85.02885	1.4
85.06522	2.5
91.05473	32.0
93.07035	46.3
95.04360	1.5
95.04958	27.6
95.08598	41.3
97.02871	3.3
97.06515	4.4
97.10171	7.7
98.21480	2.0
99.08063	2.1
103.05433	1.1
105.04561	1.0
105.07018	26.6
107.04946	7.1
107.08585	27.0
109.06493	5.2
109.10144	21.8
109.10768	0.4
109.10899	0.8
111.04404	1.4
111.08071	7.3
112.95309	0.7
115.05418	2.5
117.07003	7.0
119.04895	0.9
119.08578	25.4
120.31553	0.8
121.06488	5.2
121.10133	26.2
122.10460	1.1
123.04430	1.4
123.08044	3.5
123.11700	5.9
125.09613	5.7
129.06982	9.7
131.08546	20.4
133.06506	4.2
133.10115	14.0
135.08034	1.5
135.11681	14.5
137.09581	2.7
137.13260	1.4
141.06926	1.7
142.07732	2.5
143.08553	2.5
145.10130	9.7
147.04437	0.9
147.08046	3.8
147.11676	13.8
149.09604	6.8
149.13268	7.7
155.08485	1.5
157.10110	12.8
159.11687	9.0
161.09616	0.7
161.13229	5.3
163.11140	2.8
163.14795	3.7
165.12781	2.0
171.11691	1.9
173.09679	1.2
173.13261	5.6
175.11159	9.5
175.14804	3.2
177.12758	1.2
177.16382	1.3
183.11737	1.4
185.13242	2.2
187.14824	3.2
189.11208	3.5
189.16394	1.1
193.10454	1.1
193.12221	22.8
195.11696	1.0
197.13271	1.0
199.14874	1.1
201.16292	1.0
205.12303	1.0
211.13246	1.7
227.12766	7.2
233.22507	0.8
235.13121	1.5
243.21109	4.5
249.14786	2.9
259.13214	0.8
261.22104	14.6
267.15894	100.0
268.16226	1.8
279.23059	1.5
285.22180	1.4
288.15012	0.8
301.14352	1.2
301.25266	5.0
303.23148	1.6
309.16888	1.9
317.24780	2.3
335.25775	75.3
336.26202	2.2
403.24670	1.6
417.26108	1.0
417.31277	1.9
421.25635	2.3
435.27164	2.6
435.32568	4.8
449.28802	0.8
453.33591	7.5
471.35007	4.8
509.36203	3.1
527.37299	63.0
528.37439	3.0
545.38342	56.9
546.38477	2.2
559.39941	2.1
569.38422	2.9
577.40717	2.2
653.40466	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	13.8
55.05511	45.2
57.03428	24.8
61.02896	5.3
67.05509	87.1
69.03420	14.7
69.07079	36.2
70.51064	21.3
71.04988	15.1
77.92316	5.5
79.05047	9.6
79.05490	87.0
81.03419	46.4
81.07060	100.0
82.04210	8.5
83.01318	7.7
83.04994	29.5
83.08618	38.6
85.02905	22.1
85.06546	7.0
86.09693	8.5
91.05482	92.8
93.07044	97.9
95.04983	40.7
95.08607	54.5
97.02873	17.0
97.06518	19.8
97.10162	20.5
99.04447	5.7
99.08059	6.3
99.27573	5.9
105.07035	76.6
107.04955	16.6
107.08585	50.4
109.06525	16.0
109.10163	26.5
111.04523	7.0
111.08062	7.8
113.06020	5.7
116.04677	6.3
117.07045	37.9
119.08584	69.6
121.06465	8.2
121.10134	36.1
123.08046	14.1
123.11710	6.4
124.99964	8.4
125.09599	13.4
129.05482	16.4
129.06999	23.9
131.08595	37.1
133.08028	5.8
133.10135	60.5
135.11707	24.7
142.07741	7.9
143.07039	7.1
143.08546	10.8
145.10101	31.5
147.11671	48.0
149.09584	11.3
149.13268	11.8
155.08557	6.4
156.05603	5.5
157.08702	10.6
157.10130	21.6
158.08897	5.5
159.11697	19.0
161.13248	17.4
163.11214	28.5
166.01672	5.1
168.75969	5.5
171.11668	9.7
173.13283	10.5
175.11157	9.4
181.12276	7.1
183.11662	9.4
184.07298	21.6
185.13286	11.8
189.11345	7.0
193.12291	20.1
197.13187	6.0
211.13289	18.5
227.12819	14.2
241.19528	11.3
257.19159	9.8
259.20578	37.6
267.15851	20.1
268.64590	6.1
269.17389	21.6
275.19998	16.2
277.21603	9.6
283.15369	54.6
285.17056	15.9
301.16425	37.2
333.24084	22.8
349.23712	7.9
351.25119	12.3
477.28476	64.5
541.35162	16.1
559.36243	29.4
577.37097	13.2
641.28632	7.1
775.38519	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	774.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	8.3
55.05259	2.1
55.05514	27.0
57.01376	1.6
57.03189	1.4
57.03441	18.0
61.02923	3.8
63.32961	1.4
65.03955	3.6
67.05507	72.7
69.03432	9.3
69.07067	27.4
71.01350	1.7
71.04993	7.3
71.21510	1.7
71.21812	1.5
71.43063	1.2
71.73199	1.4
73.02921	2.4
74.00148	1.2
77.39204	1.3
79.05496	55.7
81.03423	65.2
81.07062	74.3
82.03689	1.5
83.04989	21.8
83.08618	31.1
85.02907	28.5
85.06556	6.1
86.09679	2.0
87.04447	1.5
91.03977	2.5
91.05484	57.6
92.05794	1.3
93.07049	59.5
95.04973	32.7
95.08610	30.7
97.02878	7.3
97.06548	14.6
97.10154	7.6
99.04455	2.1
99.08084	3.7
105.07032	45.5
107.04961	12.8
107.08604	33.7
109.02860	1.7
109.06549	12.3
109.10152	13.6
111.04433	2.8
111.08089	12.2
113.06013	4.5
115.05458	2.6
117.07018	15.8
119.08594	33.8
121.06509	5.9
121.10139	23.0
123.04468	1.4
123.08073	7.7
123.11742	4.4
125.09648	4.3
127.03926	1.9
129.05479	2.6
129.07007	15.0
131.08574	26.4
132.79604	1.5
133.06512	5.0
133.10129	34.8
133.11087	2.6
135.08066	5.8
135.11700	14.2
137.09598	4.5
139.11256	1.6
141.07072	1.7
142.07803	2.6
143.08578	4.9
145.10109	12.8
147.08052	4.6
147.11682	22.4
149.09599	13.3
149.13289	10.9
151.11224	2.6
157.10132	19.3
159.08125	1.8
159.11684	12.9
161.13297	2.1
163.11201	8.0
165.12784	4.6
169.10156	1.8
171.11688	4.0
173.04523	2.4
173.13277	4.5
175.11166	13.5
177.12755	4.2
184.07356	6.9
187.11195	1.9
189.11243	1.9
193.12256	45.5
195.13846	6.7
197.13387	2.2
211.13301	56.4
212.13622	2.2
220.65350	1.4
225.16591	1.6
227.12816	7.2
229.14380	4.4
229.19600	2.0
239.17967	1.6
255.15930	13.5
257.19092	6.4
267.15936	32.1
269.17474	43.2
275.20044	24.7
285.16992	52.7
286.17365	1.7
287.05600	2.5
293.21228	2.7
349.23770	25.0
367.24780	5.2
387.25592	1.9
389.16666	1.4
413.21643	3.0
439.26816	9.2
443.27939	5.6
447.27698	9.6
461.29004	44.4
462.29581	1.7
465.28494	18.0
479.30069	100.0
480.30399	4.2
501.32266	2.1
541.35425	13.4
549.26245	2.1
559.36298	26.6
574.65167	1.6
577.37195	7.1
623.34735	3.4
633.35468	1.5
775.38727	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	773.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	4.8
55.05512	29.3
57.03450	15.1
61.02932	17.2
65.03960	4.1
67.05508	83.2
69.03439	14.9
69.07072	26.0
69.25093	17.9
69.25519	18.1
71.04984	3.8
73.02921	5.2
79.05499	65.3
81.03421	8.2
81.07059	75.1
83.04991	3.8
83.08630	12.8
85.02924	15.7
85.06534	3.8
91.03959	7.5
91.05485	59.7
93.07050	82.2
95.04974	10.2
95.08606	58.5
97.02884	16.0
97.06551	4.5
97.10177	8.0
99.04450	3.7
103.05484	4.2
105.07037	64.8
107.08595	39.1
109.06495	6.4
109.10158	20.5
117.07034	22.3
119.08595	49.0
121.06476	4.3
121.10169	31.8
123.08045	4.2
123.11720	7.2
127.86327	3.3
128.06201	5.1
129.07013	19.6
130.07857	3.5
131.08591	42.4
133.10136	41.2
135.11711	20.2
137.13185	2.9
141.06998	6.6
142.07849	3.0
143.08560	20.8
145.06561	3.8
145.10115	31.8
146.99170	3.3
147.07982	3.8
147.11676	35.8
149.13293	10.1
155.08580	8.3
157.09004	4.1
157.10100	21.5
159.11717	27.5
161.13310	29.3
163.11197	4.3
163.14859	3.9
167.08635	3.2
169.10168	11.4
171.11731	24.0
173.13278	18.6
175.11217	4.7
175.14801	16.2
181.10208	4.9
183.11760	5.5
185.13269	18.7
187.14873	8.1
189.12712	3.6
197.13217	7.5
199.14906	8.9
201.16446	3.3
213.16476	4.0
215.17986	6.3
231.21223	4.6
239.18124	3.2
241.19572	19.2
246.95531	3.4
257.18924	7.2
259.20593	42.7
261.22195	6.7
283.92862	2.8
301.21771	3.3
315.23270	4.5
333.24216	24.8
335.25815	42.0
337.27362	4.2
367.22507	5.8
402.63965	3.2
527.37128	3.8
593.45728	8.9
609.45319	5.2
611.46735	100.0
612.46954	7.2
623.46991	4.6
669.41528	4.3
701.48206	4.2
737.49841	6.9
755.50629	4.2
773.51556	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	772.4829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.4
55.05511	19.9
57.03442	14.9
57.07079	3.4
59.04996	2.8
61.02917	7.2
65.03932	4.2
67.05508	71.8
69.03432	4.3
69.07069	20.6
70.27733	5.8
71.01350	3.5
71.04993	11.0
73.02890	2.0
75.45865	1.4
77.03922	2.0
79.05499	58.4
81.03423	31.9
81.07062	67.3
83.01356	2.2
83.04984	16.0
83.08623	12.0
85.02910	12.7
85.06536	6.4
91.05482	38.9
93.07049	67.3
94.07386	1.5
95.04969	17.3
95.08612	49.9
96.08981	1.7
97.02888	13.3
97.06548	13.2
97.10170	8.4
99.04457	4.8
99.08131	2.0
103.05383	1.7
105.04548	1.9
105.07039	26.4
107.04968	19.7
107.08599	36.1
109.02825	1.7
109.06503	10.7
109.10154	18.5
111.03712	2.1
111.04455	36.8
111.08105	3.8
113.06026	2.8
117.07022	15.8
119.08597	24.6
121.06499	12.6
121.10146	32.1
123.08053	11.1
123.11701	5.2
125.06007	7.9
125.09605	5.0
127.03920	1.9
128.06152	1.7
129.07001	6.1
130.07771	2.0
131.08575	20.9
133.09265	1.7
133.10152	10.9
135.08034	5.9
135.11693	27.8
137.09590	5.9
143.08531	3.9
145.06561	1.9
145.10136	29.7
147.08038	6.3
147.11655	6.1
149.09602	2.7
149.13239	5.1
153.12721	11.5
155.08513	4.6
157.10088	2.9
159.11702	5.5
161.09557	1.7
161.13255	2.8
163.11195	37.9
167.14330	1.9
169.10202	2.0
171.11641	2.9
173.09648	12.6
173.13251	6.8
175.14784	1.9
177.12775	3.4
181.10193	2.6
181.12206	7.6
185.13211	1.9
189.11253	3.2
191.10707	11.6
197.13266	2.2
209.11729	15.4
223.13289	28.2
227.12782	14.0
241.14363	57.9
243.20956	2.8
261.22122	8.8
265.14398	6.3
267.15854	3.6
276.17038	1.6
283.15390	26.4
297.17068	2.4
299.23666	4.3
306.27914	3.8
315.18045	78.1
317.24777	2.4
335.25824	98.8
336.26013	2.0
389.48502	1.7
433.30725	3.6
451.32370	3.6
469.33282	2.2
525.35846	16.4
526.35864	1.7
543.36871	100.0
544.36499	1.9
557.37598	2.3
561.37524	2.3
575.39496	80.7
576.39966	2.5
609.44470	2.2
610.45410	14.6
772.50598	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	772.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	25.3
55.05508	43.2
57.03433	22.5
57.07047	3.9
59.04984	7.3
61.02917	11.0
65.03944	6.0
67.05170	5.9
67.05503	83.6
69.03412	14.6
69.07068	35.3
70.86899	8.6
70.87273	6.0
71.04962	10.4
71.08614	4.3
73.02917	4.7
79.05486	78.5
81.03424	35.0
81.07053	100.0
83.01327	13.5
83.04969	36.1
83.08611	30.2
85.02883	17.7
91.03951	4.7
91.05476	83.0
93.07037	99.8
95.04971	34.9
95.08598	54.7
97.02908	21.7
97.06529	26.5
97.10168	12.4
99.04448	9.2
99.08099	9.1
105.07025	66.4
107.04961	17.7
107.08602	48.1
108.66682	3.9
109.06496	19.1
109.10159	12.6
111.04442	4.6
111.08072	9.9
117.06989	34.6
119.08582	51.2
121.06487	9.8
121.10154	27.8
123.08062	15.8
125.06037	4.7
125.09619	9.7
127.03901	4.9
129.05487	6.5
129.06999	16.2
131.08574	28.4
133.10100	37.1
135.08038	10.2
135.11696	33.5
143.08575	12.0
145.10117	44.9
147.08061	6.3
147.11699	27.0
149.09599	8.3
149.13275	8.5
155.08563	5.8
157.10098	8.6
159.11717	13.9
161.09641	6.0
161.13251	17.5
163.11192	40.1
171.11665	12.7
173.09599	8.1
173.13249	11.0
175.11182	7.0
181.12216	10.0
184.07526	6.4
185.13258	6.5
189.11201	5.8
191.10625	4.6
191.14363	3.9
193.12314	4.7
195.13860	5.9
197.13242	5.0
207.13766	5.1
209.11691	13.3
227.12784	17.4
241.19482	6.4
249.64970	5.5
257.19055	5.8
259.20569	23.9
269.17505	10.3
275.19983	22.2
283.15390	100.0
291.19678	4.4
293.21045	6.9
333.24274	17.3
349.23581	13.9
461.91876	3.8
477.28375	59.9
489.28134	9.4
541.35468	34.0
557.34735	19.7
559.36084	10.9
575.35815	13.1
610.45532	4.2
637.92670	4.6
778.51367	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	772.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	8.2
55.05508	39.4
55.90929	4.0
57.03440	21.6
57.07072	5.8
59.04995	8.8
61.02934	6.9
67.05502	69.3
69.03422	7.5
69.07050	24.3
71.04984	8.5
71.60223	7.6
75.87073	4.0
76.01500	4.4
79.05492	68.1
81.03411	25.6
81.07054	89.1
81.07519	5.8
83.04977	14.1
83.08626	37.2
85.02901	7.4
85.06528	5.3
85.12823	3.8
91.05476	94.9
93.07045	73.0
95.04955	19.8
95.08604	42.2
97.02885	15.5
97.06516	10.7
97.10147	13.1
99.00814	22.9
99.08075	4.1
103.05501	5.1
105.07025	84.2
107.04947	21.5
107.08591	49.5
109.02869	16.7
109.06522	13.8
109.10133	24.3
111.08078	11.5
115.03918	6.8
117.07005	22.9
118.54353	4.3
119.08576	69.3
120.94828	4.3
121.06504	15.4
121.10134	28.9
123.08021	9.5
123.11726	7.6
125.09619	11.0
127.03913	6.5
128.06209	5.5
129.05476	5.1
129.07014	12.5
131.08577	33.1
133.06508	6.4
133.10126	100.0
135.08063	7.2
135.11655	25.4
137.09599	8.8
139.07578	8.1
143.08583	14.9
145.06454	6.9
145.10127	24.2
147.07973	5.9
147.11668	38.8
149.09634	11.4
149.13240	13.2
151.11180	22.1
156.98302	4.2
157.10120	12.9
159.11615	21.5
161.09631	22.2
161.13219	26.7
163.11217	19.8
166.86601	4.2
169.10216	5.4
171.08026	7.0
171.11694	11.1
173.13263	14.1
175.11095	6.2
175.14835	11.1
179.10626	14.5
182.28009	4.1
184.07297	7.4
185.13243	7.8
189.09111	13.6
189.11015	4.6
197.11841	5.9
199.14853	9.6
207.10046	4.8
209.11768	5.0
211.13210	4.8
225.11177	21.1
227.12776	8.2
241.19485	26.7
259.20560	63.3
267.15857	4.7
269.17288	4.7
275.20078	14.6
280.51691	4.3
283.15405	23.0
291.19464	13.6
299.14871	96.8
301.16440	7.5
315.23196	5.5
333.24225	56.0
349.23682	16.4
365.23065	8.5
367.24338	6.7
396.30887	4.3
465.30096	9.9
477.28265	10.3
483.30881	7.6
498.17346	4.5
502.04474	4.4
511.34015	5.9
529.35181	6.4
539.33746	24.2
541.34674	5.0
557.34796	68.2
575.35730	55.6
597.89539	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	772.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.8
55.05510	40.5
57.03438	18.3
57.07077	3.3
58.46188	2.4
59.04988	3.9
59.33354	2.6
61.02917	5.3
65.03919	5.4
67.05503	74.3
69.03423	14.7
69.07072	29.7
69.47117	22.6
71.01340	2.5
71.04973	9.9
78.39817	2.3
79.05060	4.4
79.05491	67.6
81.03418	38.6
81.06579	5.1
81.07056	95.6
83.01337	9.9
83.04973	31.3
83.08624	27.9
85.02927	16.3
85.06526	8.9
87.04465	4.7
89.06033	5.1
91.03989	2.8
91.05479	65.6
93.07045	78.0
95.04974	28.2
95.08597	36.6
97.02882	9.9
97.06522	18.4
97.10172	11.3
99.04480	4.4
99.08112	5.1
103.58266	2.7
105.07027	58.6
107.04949	17.9
107.08588	57.7
109.02879	5.4
109.06505	15.8
109.10147	20.6
111.04460	8.7
111.08099	11.6
115.05431	3.9
117.07011	25.6
119.08578	35.2
121.06487	9.9
121.10128	30.3
123.04427	3.2
123.08035	11.9
123.11671	5.3
125.05996	5.7
125.09660	10.1
127.03905	4.4
129.06996	12.0
130.07791	2.9
131.08551	27.2
133.06473	7.5
133.10132	37.6
135.08058	10.0
135.11703	30.6
137.09615	7.6
143.08556	9.2
145.10124	32.8
147.08066	8.5
147.11725	19.0
149.09608	15.4
149.13240	9.9
151.11172	11.6
153.12819	3.4
157.10130	9.8
159.11647	13.8
161.09648	6.1
161.13275	3.8
163.11174	32.8
169.10187	4.5
171.11655	7.1
173.09628	5.5
173.13261	6.2
175.11182	11.1
177.11357	2.5
177.12820	5.0
181.12190	8.5
183.11832	2.9
185.13251	3.3
187.11111	2.5
189.11229	7.8
191.10625	4.6
193.12212	16.9
195.13774	3.2
199.16942	11.0
209.11731	7.1
211.13306	21.9
223.13258	5.1
227.12770	30.3
229.14290	3.3
241.19505	2.9
243.41057	2.7
253.14340	27.9
255.15916	6.1
257.19043	7.6
259.20721	4.4
267.15900	15.4
269.17435	20.9
273.18475	18.2
275.20084	32.5
283.15402	100.0
283.18524	5.1
285.16995	21.5
291.19501	31.1
293.21124	3.9
299.14850	6.8
301.16608	2.6
331.22534	3.8
333.24496	3.1
349.23743	34.0
365.23224	24.3
367.24820	9.2
453.24802	5.9
459.27057	3.5
463.26981	21.1
469.85699	3.4
477.28445	79.4
483.30829	3.1
539.33649	6.0
557.34735	89.6
575.35822	68.9
681.69458	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	772.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.1
55.05510	39.1
55.70540	1.2
56.96574	3.4
57.03437	21.1
57.07060	2.4
59.05005	29.3
61.02919	4.2
65.03938	4.3
67.05506	85.3
69.03433	7.6
69.07071	12.6
70.06601	1.7
70.13801	5.7
71.01357	3.1
71.04996	16.7
73.02892	1.9
77.62189	1.3
79.05494	47.4
81.03421	100.0
81.07058	49.8
83.01349	1.6
83.04994	16.7
83.08618	29.8
83.09104	1.5
85.02901	10.0
85.06554	6.5
87.04474	28.1
91.03946	1.7
91.05485	44.4
93.07045	32.9
95.04972	35.6
95.08608	20.0
96.03149	1.2
97.02888	10.0
97.06528	10.6
97.10172	19.5
99.04451	9.6
99.08118	2.8
103.05504	1.8
105.03427	1.4
105.07034	27.7
105.21690	1.3
107.04968	18.9
107.08600	24.0
108.46381	1.2
109.02869	3.7
109.06518	9.7
109.10160	51.2
110.09713	1.7
111.04445	11.0
111.08083	11.9
115.05470	3.4
117.07037	9.2
119.08588	30.6
121.02863	2.9
121.06491	9.6
121.10145	23.0
123.04424	6.0
123.08049	6.3
123.11703	1.9
125.05978	3.4
125.09631	14.9
127.03938	1.8
129.07007	17.3
131.04956	2.4
131.08580	26.3
133.06490	7.1
133.10138	14.0
135.04381	6.4
135.08037	6.0
135.11691	9.9
137.05992	5.0
137.09628	4.0
141.06956	2.5
142.07782	4.5
143.08524	4.0
145.06485	4.5
145.10112	14.0
147.04401	3.6
147.08067	9.5
147.10614	2.1
147.11688	17.3
149.01277	1.4
149.05995	2.5
149.09630	21.1
151.11240	2.8
153.01758	1.5
153.09109	5.9
153.12741	9.1
155.08530	4.5
155.10684	2.8
157.06439	1.7
157.10123	17.1
159.11696	1.5
161.05966	5.2
161.09660	3.1
163.07587	1.9
163.11189	17.0
165.12753	4.2
167.10677	3.4
171.08124	2.3
171.11627	2.8
173.09624	4.6
173.11784	11.8
173.13176	2.4
175.11176	19.4
175.14784	1.4
177.00699	1.3
177.12686	1.3
178.54391	1.3
181.12177	6.6
183.11719	2.8
184.07304	1.5
185.13258	4.5
187.11206	3.3
189.11241	12.7
189.12738	2.3
191.10680	7.0
193.12242	53.0
194.12604	1.4
197.15387	2.7
199.13297	8.6
201.12840	1.9
203.14279	2.8
205.12215	2.4
207.13759	2.4
209.11716	11.6
211.11340	2.0
211.13277	45.9
213.12750	3.2
217.12408	1.6
217.14348	2.8
219.13753	2.8
221.15410	2.8
223.11357	1.3
223.13315	4.0
225.14853	11.3
227.12778	21.2
229.12129	2.4
229.14354	37.7
229.16556	2.7
231.13803	4.8
233.15106	1.4
235.13284	4.3
241.14355	3.1
243.06442	1.4
243.13660	1.4
243.15924	1.6
247.13322	9.1
249.14841	16.0
251.12781	1.8
251.79509	1.2
253.14384	2.4
255.09096	2.9
259.13156	3.0
263.16476	2.5
265.14468	2.7
267.09171	1.9
267.15930	60.7
268.87576	1.1
273.10367	1.8
273.14786	3.5
277.14270	2.3
283.08606	3.9
283.15408	17.4
285.09995	3.0
287.05591	1.9
289.14447	1.6
291.16016	1.3
295.15396	1.7
301.09698	2.9
301.14218	2.0
303.15945	2.4
309.17004	2.5
315.18036	4.3
318.34290	1.4
323.10626	6.0
333.19125	1.4
337.21704	6.2
347.19839	2.3
355.14267	1.8
355.22775	10.8
357.24286	2.5
365.21185	9.5
373.23453	5.9
381.13699	1.6
383.22192	27.6
391.24728	2.1
397.23914	1.7
401.23312	24.5
403.24594	3.5
405.26624	2.1
407.15103	1.7
409.25693	1.9
415.24786	5.6
419.24390	3.8
421.25873	27.7
433.25946	8.4
435.14227	2.0
436.16779	13.2
436.67075	4.8
447.27460	3.4
457.25833	10.1
475.26910	27.2
479.30240	1.7
489.28235	4.6
493.27942	11.9
499.50235	1.4
507.29556	27.3
517.27930	1.5
525.30420	11.0
529.28326	1.7
557.34674	1.8
579.25732	2.2
597.27094	2.4
617.62988	1.5
621.32117	2.2
646.72705	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	772.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	10.1
55.05504	30.2
56.96563	2.9
57.03435	19.3
59.04997	34.1
61.02925	4.5
65.03940	4.2
67.05503	79.4
68.05843	2.3
69.03432	9.7
69.07072	11.1
70.06594	9.8
70.61703	7.4
71.04990	20.9
73.44851	1.9
76.05700	1.8
77.59999	2.0
79.05489	42.1
81.03416	100.0
81.07052	51.6
83.04986	15.9
83.08624	28.9
85.02897	12.4
85.06543	6.6
87.04465	36.7
88.38264	2.0
91.04037	1.8
91.05477	43.4
93.07040	33.1
95.04971	39.9
95.08611	23.5
97.02871	12.4
97.06538	7.8
97.10155	13.1
99.04463	8.1
99.08141	3.4
103.05455	1.9
105.07025	27.8
107.04945	18.3
107.08594	24.0
109.02910	2.8
109.06519	8.7
109.10158	54.6
111.04468	9.7
111.08070	15.5
117.07023	8.9
117.07742	1.8
119.08575	29.7
121.02837	4.3
121.06512	11.9
121.10150	21.2
123.04444	5.8
123.08089	8.1
125.06022	3.8
125.09621	11.0
127.03912	3.6
127.07505	2.5
127.53741	1.8
129.06993	15.7
131.04959	2.8
131.08565	19.5
132.52029	1.8
133.06471	6.1
133.10107	16.0
135.04420	4.8
135.08002	4.8
135.11719	9.9
137.05994	7.3
137.09628	4.4
141.06987	3.6
142.07742	3.2
143.08556	3.2
145.06480	4.7
145.10107	12.2
147.04417	2.4
147.08049	6.3
147.11679	14.7
148.82719	2.0
149.05988	2.3
149.09621	22.7
153.01874	4.3
153.09125	5.0
153.12755	8.3
153.39201	2.0
155.08524	2.6
155.10654	2.4
157.10136	16.2
159.11801	2.5
161.05981	3.3
161.09579	4.0
163.07509	2.3
163.11198	15.4
165.09206	2.5
165.12807	2.7
167.10634	4.2
173.09700	3.3
173.11708	11.3
175.11206	16.1
181.12247	6.8
185.13246	3.3
189.11200	12.2
191.10693	7.4
193.12245	60.0
199.11470	2.6
199.13362	7.8
201.12794	2.5
203.14288	2.1
207.13736	2.9
209.11636	9.5
211.11284	2.2
211.13260	44.8
217.12312	2.3
223.13354	3.5
225.14833	7.7
227.12785	20.8
229.12143	3.8
229.14352	46.0
231.13802	5.0
235.13324	3.7
241.14319	5.0
247.13254	9.9
249.14851	18.9
259.13321	2.8
265.14145	2.2
267.09048	2.3
267.15903	72.2
273.15009	2.7
277.14246	3.1
283.08585	2.8
283.15469	13.4
285.10129	5.3
285.14835	2.7
287.05515	8.0
311.05383	2.4
315.18088	4.8
321.16782	2.2
323.05508	17.5
323.10892	2.8
337.21680	5.6
349.07120	3.3
355.22641	7.4
365.20987	11.2
373.23685	6.1
383.22104	28.8
401.23187	20.4
415.24857	6.2
421.25916	36.3
429.17957	2.4
433.25714	9.0
435.14560	5.5
436.16660	8.2
447.27399	4.7
453.15616	5.2
457.25851	10.1
463.27191	2.9
475.26910	32.5
477.28494	2.5
479.17285	3.9
493.28226	8.8
507.29611	22.2
525.30792	9.0
529.27374	2.8
552.31665	4.1
633.32410	2.9
772.40253	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01793	1.5
55.05427	7.8
55.05724	1.6
57.03348	3.9
57.03657	0.7
57.06985	1.3
61.02836	10.4
61.03185	1.8
61.66538	0.4
65.03844	1.5
67.05408	16.4
67.05807	2.4
69.03330	6.3
69.06969	8.5
69.07385	1.1
71.01286	0.9
71.04894	1.7
71.05278	0.7
71.08553	0.6
73.02816	6.4
73.03254	0.8
75.04407	0.3
79.05387	12.7
79.05891	1.3
81.03307	3.3
81.06951	17.5
81.07475	1.6
83.04876	1.4
83.08511	4.4
85.02795	10.5
85.03352	1.0
85.06458	0.7
87.04401	0.6
91.03845	6.1
91.05368	11.5
91.05989	1.1
93.06932	13.2
93.07577	1.1
95.04847	2.8
95.08490	15.0
95.09142	1.2
97.02776	9.4
97.03445	0.6
97.06411	2.0
97.10046	3.0
98.21534	0.6
99.04337	1.5
99.08020	0.8
101.02357	1.7
103.03812	0.4
103.05383	0.7
105.04439	0.3
105.06910	13.0
105.07665	0.9
107.04830	1.4
107.08472	9.5
109.02766	0.9
109.06394	1.2
109.10159	6.1
111.04388	0.4
111.08084	1.6
115.03827	0.7
115.05334	1.2
117.07022	7.1
117.07776	0.5
119.08582	11.5
119.09364	0.5
121.06423	0.6
121.10151	6.7
123.04346	0.5
123.07936	1.0
123.11711	2.4
123.20795	0.3
125.09525	0.9
127.03930	2.2
127.55471	0.4
128.06198	2.1
129.05429	0.6
129.07005	8.4
130.07614	0.5
131.08577	10.5
133.06380	0.4
133.10132	7.7
135.07930	1.1
135.11708	4.0
137.09529	0.7
137.13159	0.7
139.11090	0.6
141.06989	4.5
142.07794	2.2
143.08563	11.0
144.09180	0.6
145.04865	0.4
145.06419	0.7
145.10123	10.9
147.07964	0.7
147.11691	5.0
149.02219	0.5
149.09444	1.0
149.13245	1.9
151.11078	0.4
153.06851	1.1
154.07750	1.6
155.08548	8.1
156.09210	1.5
157.10133	10.4
157.11342	0.4
158.10838	0.5
159.07993	0.6
159.11710	6.9
161.09515	0.6
161.13258	2.9
163.11130	0.6
163.14752	0.6
165.06850	1.2
165.12651	0.4
166.07674	0.7
167.08575	4.0
168.09187	1.3
169.10124	11.1
170.10770	0.5
171.07915	0.4
171.11694	9.8
173.09444	0.6
173.13269	4.8
175.14763	2.2
177.12511	0.5
177.16312	0.5
178.07785	0.4
179.08574	2.1
180.07472	0.3
180.09204	1.3
181.10127	5.8
182.10764	1.3
183.11703	10.8
184.12379	0.4
185.09518	0.8
185.13266	7.1
187.14793	2.7
189.16278	1.1
191.08444	0.5
192.09239	0.7
193.04889	0.7
193.10159	2.7
194.10820	0.6
195.09956	0.4
195.11693	6.9
196.12375	0.5
197.13263	8.7
198.13826	0.3
199.11134	0.4
199.13206	0.6
199.14696	4.0
201.12663	0.4
201.16386	1.8
203.17915	0.8
205.09982	1.1
206.10796	0.6
207.11746	2.6
209.13283	6.5
210.13742	0.8
211.14821	6.6
213.16432	3.5
215.17879	0.8
217.10185	0.5
217.19131	0.4
219.11591	0.9
220.12192	0.4
221.13347	2.9
222.13971	0.5
223.14832	4.8
224.15430	0.3
225.16408	3.5
227.18100	1.8
229.19354	0.6
229.66791	0.4
231.11641	0.6
233.13106	1.2
233.18967	0.5
234.14095	0.4
235.14995	2.3
235.17026	0.6
237.16428	2.6
239.18069	2.2
241.19449	1.1
245.13252	0.4
245.18777	0.3
247.14696	1.1
247.16965	0.4
249.16280	1.4
250.42216	0.3
251.18002	2.0
253.19398	1.2
255.17290	0.5
255.21184	0.4
257.18942	0.4
259.14688	0.7
259.20508	0.5
261.16379	0.6
263.17856	1.1
265.19724	1.6
267.21036	0.6
269.18948	0.6
275.17697	0.5
277.19229	0.8
279.21011	1.0
281.18539	0.6
283.20334	0.6
285.22003	0.5
289.19019	0.5
293.22549	0.5
295.20303	0.6
297.21976	0.7
299.19901	0.5
299.23264	0.4
301.21725	0.4
307.23886	0.4
309.22015	0.8
311.19952	0.4
311.23343	0.7
313.21530	0.6
313.25281	0.4
321.21814	0.5
323.23425	0.9
325.21512	0.8
325.25125	0.7
327.23190	0.4
335.23462	0.6
335.26288	0.4
337.25162	1.2
339.22867	0.4
341.24564	0.4
347.23318	0.6
349.25073	1.2
351.26758	0.8
353.24442	0.6
355.26218	0.6
357.24359	0.4
363.26660	0.6
365.24515	0.6
365.28424	1.1
377.28485	0.5
379.26028	0.7
379.30130	0.5
381.27661	0.5
389.28287	0.4
391.30209	0.8
393.31631	0.4
395.29391	0.5
403.29501	0.4
405.31622	0.5
407.29178	0.8
421.30563	0.5
423.32574	0.4
429.31210	0.6
433.30634	0.7
435.32184	0.5
447.32361	1.1
461.33789	0.9
465.33661	0.4
473.33228	0.6
475.35049	0.6
483.35034	0.5
499.33224	0.4
499.39706	0.7
501.35773	0.9
507.34409	0.4
513.36438	0.8
515.37933	0.9
517.40558	5.9
521.36145	0.6
525.35730	0.7
527.37122	1.2
535.41547	2.7
539.37347	1.8
541.39313	1.6
545.38989	0.5
553.39282	0.6
555.41675	0.7
567.40576	0.4
573.43005	0.7
589.41882	0.5
591.44086	7.0
607.43811	2.7
609.45135	100.0
610.45313	3.0
621.45074	1.2
633.45258	0.9
645.45654	0.5
651.46442	1.5
661.44739	0.4
675.46057	0.8
693.46399	0.7
699.46021	1.0
717.46967	1.3
735.48413	1.7
753.49213	1.6
771.50397	23.1
772.50641	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	771.5038
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	11.1
57.03416	3.7
61.02928	12.0
63.37730	1.2
64.14817	1.4
65.03930	1.3
67.05506	21.6
68.27970	1.2
69.03436	6.0
69.07081	8.1
70.01571	7.7
71.04990	1.5
73.02914	6.0
79.05499	14.3
81.03421	3.1
81.07056	17.9
83.04967	2.0
83.08629	6.3
85.02908	9.2
91.03944	6.1
91.05476	13.4
93.07042	15.3
95.04950	3.9
95.08595	16.5
97.02888	10.4
97.06536	1.7
97.10145	1.9
103.05476	1.3
105.07023	12.3
107.08586	9.4
109.02895	2.2
109.10168	8.4
115.03854	1.2
117.07009	6.8
119.08591	9.8
121.10139	6.7
127.03930	1.5
128.06227	1.5
129.07027	7.3
131.08575	9.9
133.10117	8.7
135.11691	4.8
141.06927	2.1
142.07797	1.3
143.08572	8.6
143.78957	1.2
145.10115	7.3
147.11687	4.3
149.13287	2.4
155.08553	7.3
157.10114	8.7
157.69559	1.2
159.11708	5.6
161.13184	2.7
167.08585	3.5
169.10132	8.2
171.11667	7.9
173.11835	1.7
173.13266	4.7
175.14900	1.6
179.08510	2.5
181.10150	4.3
183.11665	9.4
185.13313	6.0
193.10170	1.9
195.11671	4.4
197.13269	6.0
199.14809	3.1
201.16411	2.3
207.11694	2.8
209.13263	4.3
211.14742	3.1
213.16481	2.2
221.13416	1.7
223.14876	2.7
225.16441	2.3
227.17928	2.8
237.16531	2.1
239.17960	2.1
241.19539	1.6
253.19450	1.4
267.15729	1.3
291.73898	1.5
318.78455	1.6
335.26175	2.3
497.72147	1.5
513.36218	1.8
517.40015	5.2
527.37677	1.8
535.41077	2.4
539.37268	1.9
545.37982	2.6
591.44061	6.4
607.43884	1.7
609.45129	100.0
610.45197	3.5
651.45020	1.6
667.39740	4.1
699.44733	1.7
753.49158	2.1
762.20898	1.5
771.51654	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	1.3
55.05458	6.4
55.05751	1.0
57.03414	1.0
64.02811	0.4
65.03896	0.6
67.05503	3.6
68.39880	0.4
69.03387	1.1
69.07066	2.4
70.79175	0.8
70.79510	1.0
71.01305	0.5
73.02859	0.7
79.05491	6.8
81.03407	2.4
81.07057	9.5
83.04980	3.3
83.08569	1.4
85.02845	1.8
91.05479	2.4
91.05908	0.5
93.07044	2.5
95.04958	2.3
95.08610	2.4
95.15165	0.4
97.02834	1.8
97.06488	0.9
97.34962	0.4
99.04409	0.7
105.06963	1.5
107.04891	0.8
107.08599	2.9
109.02785	0.5
109.06456	1.7
109.10092	1.6
117.06936	0.9
119.08509	0.9
121.10116	0.6
123.04395	0.6
123.07994	1.6
125.09544	1.6
127.03831	0.9
129.06970	0.6
131.04936	0.6
131.08517	0.7
133.10056	0.6
137.09579	0.5
139.03825	2.0
143.08583	0.4
145.06438	0.7
145.10089	0.7
147.04343	0.5
153.01822	38.9
156.28130	0.4
157.06451	0.7
159.04353	0.8
161.05977	0.6
163.11105	0.6
165.06917	0.7
171.02818	1.4
171.04362	2.9
171.07979	0.7
173.05933	1.4
173.09570	0.5
181.06415	0.7
185.05923	1.9
187.03784	0.5
187.07535	0.5
193.12091	0.6
195.07983	0.5
199.07472	1.4
201.05367	0.5
211.07474	1.3
213.05470	1.0
213.09016	0.6
221.05922	0.7
223.07465	0.5
225.05473	0.8
237.05431	0.7
239.06956	0.9
239.10733	0.5
249.05402	0.6
251.06888	0.6
253.04903	1.3
255.06482	0.6
255.13611	1.0
257.04483	1.3
265.04941	1.3
266.05414	0.8
267.06561	3.8
267.09061	0.7
267.15808	0.8
269.04214	0.5
271.05975	1.2
277.05383	0.5
279.06500	1.1
281.04413	1.8
282.05252	1.7
283.05966	1.1
285.10330	0.6
287.05450	0.9
294.05133	2.3
295.05997	19.8
296.06424	0.5
297.00800	0.3
297.03912	8.7
298.04727	2.2
299.05389	2.7
303.06693	0.7
306.05261	0.6
307.05847	1.4
309.07431	0.9
310.04675	0.8
311.05487	24.1
321.03964	1.2
321.07489	0.8
322.04636	1.9
323.05508	47.3
324.06204	9.6
325.07101	5.3
331.06003	0.6
335.05396	1.4
336.05814	0.6
337.07065	5.5
339.08600	0.9
347.05710	0.6
349.06982	2.7
350.07687	1.0
351.08566	1.6
353.06281	0.6
363.08640	1.1
391.11832	0.6
403.11871	0.6
405.13287	1.6
407.14899	39.9
408.15103	1.4
417.13397	1.2
433.16309	1.0
435.14383	75.8
436.14886	2.9
447.15012	0.6
449.16144	1.1
451.13660	0.7
453.15369	3.4
461.15778	4.7
479.17007	6.0
495.16702	0.6
504.37103	0.6
505.37054	0.7
531.23779	1.8
541.22205	1.4
549.24774	1.2
559.23120	6.2
577.24310	85.4
578.24811	3.9
595.25354	100.0
596.25549	3.4
655.19946	1.1
668.07104	0.5
735.25806	0.7
753.26294	2.2
771.28406	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00196	1.5
55.01874	9.6
55.05263	2.1
55.05510	28.7
55.99493	1.3
56.61515	1.6
57.03430	11.0
57.07064	1.3
61.02919	2.8
64.01131	1.4
65.03551	1.4
65.03934	3.3
67.05502	80.7
69.03429	7.0
69.07065	32.1
69.73716	1.3
70.49366	1.6
70.79640	4.7
71.04993	5.6
73.06550	1.7
77.03954	2.6
79.05490	93.1
81.03415	17.2
81.07053	80.8
83.04976	19.0
83.08613	16.2
85.02908	4.6
85.06536	2.8
87.04468	2.0
91.05478	69.5
93.07042	82.1
93.99719	1.5
94.07352	2.2
95.04967	28.3
95.08607	40.9
97.02892	4.3
97.06522	19.8
97.10184	9.0
99.04475	2.3
99.08086	2.7
105.04562	1.7
105.07025	58.6
106.07282	1.7
107.04961	15.2
107.08586	32.4
109.02865	3.3
109.03608	1.5
109.06519	10.4
109.10167	11.5
111.04427	1.7
111.08070	4.5
115.05414	2.3
117.07018	20.6
119.08580	33.8
121.06483	7.5
121.10117	14.9
123.08053	7.6
123.11716	2.8
125.09660	6.2
127.03918	3.9
127.07516	1.7
128.06209	3.4
129.06990	17.3
131.08563	18.0
133.06516	2.4
133.10129	26.4
135.08058	4.2
135.11678	14.4
137.09557	1.5
141.06995	2.7
143.08562	11.1
145.06497	2.2
145.10115	23.2
147.08022	3.6
147.11678	40.7
149.09634	12.0
149.13248	5.7
151.11185	2.6
155.08591	4.5
157.10117	5.1
159.11722	10.2
161.09631	5.2
161.13232	12.0
163.11171	10.7
169.10150	3.8
171.11670	24.7
173.04465	3.0
173.13255	5.5
177.12761	2.6
179.14365	3.0
181.12236	2.1
183.11821	2.6
185.13206	2.3
187.11227	1.9
189.11256	3.7
189.12761	9.3
195.13797	2.5
197.13252	2.8
207.13779	25.8
227.12776	11.9
229.14474	2.2
229.19539	2.7
239.17868	4.6
253.14293	2.7
255.15939	6.1
257.19028	9.6
263.16348	1.9
269.17389	13.5
275.20074	35.0
281.17450	81.6
283.15408	4.9
291.19498	2.1
293.21106	2.5
331.22720	3.2
349.23737	24.5
413.21405	2.2
435.27231	4.7
441.81100	1.8
451.27203	4.1
461.28888	24.0
475.30569	100.0
476.31210	1.9
515.33868	2.5
537.35803	4.4
555.36853	66.5
573.36682	6.1
595.82874	2.0
619.34491	3.1
710.23535	1.9
751.40594	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	770.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	9.1
55.05511	23.9
57.03442	8.2
57.07050	1.2
59.04960	2.0
61.02887	2.6
65.03912	1.3
67.05502	24.5
68.05791	0.8
69.03429	7.5
69.07069	21.2
69.33636	1.8
69.34047	4.1
71.04990	2.8
71.05975	0.6
71.42787	0.5
73.02874	1.3
79.05492	28.2
81.03419	11.0
81.07054	25.6
82.07362	0.5
82.40398	0.6
83.01337	5.8
83.04977	9.0
83.08620	12.7
85.02905	4.6
85.06491	1.3
87.26819	0.5
91.03936	0.8
91.05476	20.7
91.08554	0.5
92.05770	0.7
93.07041	28.7
94.07319	0.7
95.04971	11.2
95.08051	1.0
95.08601	12.5
97.02903	10.0
97.06515	4.9
97.10165	10.4
98.03162	0.7
99.04414	1.7
105.03397	0.6
105.07032	16.6
107.04957	10.5
107.08596	15.1
109.02829	1.0
109.05890	0.6
109.06530	5.4
109.10167	8.5
111.04393	2.2
111.08053	2.0
115.05394	0.7
117.06239	0.7
117.07019	11.0
119.04052	0.5
119.04920	1.3
119.08574	15.6
119.72813	0.6
121.06499	4.3
121.09317	0.7
121.10137	8.4
122.14445	0.5
123.04433	1.4
123.08070	7.3
123.11629	0.9
125.05936	1.4
125.09630	8.7
126.62226	0.6
127.03869	0.6
128.06209	1.3
129.07004	4.1
130.07726	1.7
131.04819	0.6
131.07707	0.7
131.08572	8.2
133.06506	2.7
133.10121	5.7
134.07269	0.7
135.08055	3.8
135.11673	9.2
137.09578	2.1
137.96391	0.7
139.11162	1.0
143.08588	3.8
145.06480	1.7
145.09052	0.8
145.10124	12.5
147.08034	5.8
147.11707	4.1
149.09593	2.1
149.13257	0.8
151.11148	0.9
153.09143	0.6
153.12732	2.2
155.08496	1.6
157.10107	2.5
159.08009	0.9
159.11644	2.3
161.09561	2.2
162.10368	0.9
163.11179	13.6
165.09065	1.0
169.10074	1.3
169.12268	0.6
171.10168	0.8
171.11649	1.4
173.09599	1.6
173.13225	1.1
175.11163	1.3
177.12723	1.4
179.10710	0.8
181.10075	1.0
181.12181	1.6
183.11681	0.9
184.07378	0.6
187.11044	0.7
189.11180	2.5
189.12682	0.8
191.10657	1.8
193.12260	1.4
195.13794	0.8
205.12221	1.5
209.11670	4.5
209.13365	0.7
211.13205	1.0
223.13300	16.3
227.12793	7.9
245.19080	1.1
249.14813	2.9
251.12743	0.7
253.14388	2.0
272.14877	0.6
273.18475	12.3
275.20117	0.9
281.17502	2.2
283.15402	69.5
284.15503	1.0
289.18045	0.6
291.19540	92.3
292.19910	1.9
309.20459	1.0
347.22034	2.3
349.23709	0.8
365.23218	47.6
366.23804	1.5
453.24811	1.4
493.28012	4.7
505.27850	0.8
541.34955	1.4
549.95691	0.6
555.33197	2.8
573.34229	100.0
574.34912	3.1
591.34796	1.1
607.43298	0.9
608.43878	2.0
770.49310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05500	1.8
55.06651	0.7
57.03429	2.0
61.02927	3.6
65.03954	0.6
67.05514	3.6
69.03420	2.1
69.07076	1.8
70.04888	0.7
71.59942	0.7
73.02929	3.7
79.05497	3.6
81.03425	3.6
81.07054	3.6
83.04981	1.3
83.08611	1.4
85.02914	5.6
91.03963	2.3
91.05489	5.4
93.07034	4.3
95.04990	2.0
95.08611	1.6
97.02893	3.1
99.04498	0.7
101.02393	1.3
105.07052	3.1
107.08597	1.5
109.02924	1.2
119.08601	2.8
121.10141	1.3
129.07056	0.9
131.08591	2.1
133.10168	1.9
145.08479	0.8
145.10165	0.7
147.11772	1.6
149.02454	0.7
153.85735	0.6
157.10172	1.8
171.11725	0.7
175.11284	1.1
184.07455	2.2
185.04276	1.4
193.12312	1.3
209.99014	0.8
211.13266	1.1
219.04402	0.8
243.08481	3.0
251.12759	0.9
259.20599	0.7
301.08948	1.3
469.20551	12.1
535.28644	3.6
541.22583	1.2
627.58276	0.8
763.42346	100.0
764.42749	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	770.4323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	13.0
55.05259	2.2
55.05509	22.9
57.03436	12.2
57.07071	2.2
59.04981	2.5
59.08081	0.9
61.02912	3.4
65.03932	2.7
67.05505	56.0
69.03429	6.3
69.07072	15.5
69.25703	1.1
70.35119	2.9
70.35531	3.9
71.01353	2.1
71.04990	8.0
73.02906	2.2
79.05492	41.5
81.03413	13.9
81.07059	57.4
83.01335	4.7
83.04980	19.3
83.08617	13.0
85.02914	7.8
85.06539	4.7
85.13503	1.3
91.05485	49.9
93.07044	47.6
95.04967	17.2
95.08608	20.0
97.02879	6.1
97.06522	9.1
97.10165	2.8
99.04459	3.9
103.05408	2.4
103.40996	1.2
105.07031	43.3
107.04958	13.6
107.08593	41.0
108.08868	1.5
109.02842	1.2
109.06506	14.3
109.10155	49.6
111.04453	3.1
111.08086	4.1
113.06010	2.6
115.05399	1.6
117.07023	12.2
119.08582	19.0
121.06508	7.5
121.10158	11.3
123.04385	1.6
123.08100	8.2
123.11691	7.3
125.06006	1.9
125.09585	2.3
127.07522	3.4
128.06209	2.5
129.06953	3.9
130.07796	1.4
131.08548	11.7
133.06491	5.7
133.10133	60.0
134.72481	1.1
135.08000	8.4
135.11705	11.2
137.05988	1.8
137.09604	3.4
139.07506	2.0
143.08546	4.8
145.10132	19.9
146.75961	1.3
147.08023	4.5
147.11684	5.0
149.09653	4.8
149.13332	1.3
151.11171	25.4
153.12732	1.6
155.08537	2.1
157.10135	2.4
159.08083	1.5
159.11674	2.6
161.09680	7.2
161.13309	1.6
163.11191	19.7
169.12251	4.3
169.16199	1.1
171.11685	1.6
173.09644	3.6
173.13254	1.5
175.11205	1.7
177.09033	1.7
181.12262	1.8
185.13242	2.3
189.12749	1.5
191.10658	2.4
203.10352	1.4
207.13808	1.9
209.11728	3.8
211.13249	1.3
215.12680	1.4
227.12766	3.6
245.19052	2.5
251.12769	3.4
253.14349	100.0
254.14636	3.3
255.17488	1.4
263.20056	3.8
267.15921	1.7
273.18503	20.4
281.17435	1.4
283.15390	65.6
284.15601	1.3
291.19547	19.0
309.20605	2.3
329.21146	2.3
332.58710	1.4
347.22134	8.5
365.23270	24.6
432.33411	1.3
475.31076	8.4
477.24683	3.4
479.26440	47.6
480.26657	2.8
555.32397	8.4
561.06549	1.5
573.34222	66.0
771.39502	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	763.4238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.05500	1.8
55.06651	0.7
57.03429	2.0
61.02927	3.6
65.03954	0.6
67.05514	3.6
69.03420	2.1
69.07076	1.8
70.04888	0.7
71.59942	0.7
73.02929	3.7
79.05497	3.6
81.03425	3.6
81.07054	3.6
83.04981	1.3
83.08611	1.4
85.02914	5.6
91.03963	2.3
91.05489	5.4
93.07034	4.3
95.04990	2.0
95.08611	1.6
97.02893	3.1
99.04498	0.7
101.02393	1.3
105.07052	3.1
107.08597	1.5
109.02924	1.2
119.08601	2.8
121.10141	1.3
129.07056	0.9
131.08591	2.1
133.10168	1.9
145.08479	0.8
145.10165	0.7
147.11772	1.6
149.02454	0.7
153.85735	0.6
157.10172	1.8
171.11725	0.7
175.11284	1.1
184.07455	2.2
185.04276	1.4
193.12312	1.3
209.99014	0.8
211.13266	1.1
219.04402	0.8
243.08481	3.0
251.12759	0.9
259.20599	0.7
301.08948	1.3
469.20551	12.1
535.28644	3.6
541.22583	1.2
627.58276	0.8
763.42346	100.0
764.42749	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	761.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.03436	1.5
61.02926	3.9
61.49869	0.5
67.05501	4.0
69.03434	3.0
69.07069	1.8
71.98279	0.5
72.08250	0.7
73.02918	3.6
77.25555	0.6
79.05497	6.1
81.03411	3.1
81.07068	5.0
83.04996	1.4
83.08626	0.6
85.02889	4.9
86.09721	0.7
91.03979	2.3
91.05479	4.7
93.07043	5.5
95.04984	1.5
95.08615	2.9
97.02898	4.4
98.33929	0.7
99.04453	1.3
101.02397	1.1
105.07046	3.2
107.04981	1.5
107.08566	3.5
109.02849	0.8
109.06550	1.4
109.10147	1.5
117.07017	1.6
119.08599	2.8
121.10165	1.8
123.08040	1.0
127.03923	1.6
129.07036	1.0
131.08565	1.5
133.10161	2.8
135.11690	1.6
143.08580	1.1
145.10144	2.0
147.04424	0.7
147.11720	1.9
149.13242	0.9
157.10143	0.8
159.11684	0.8
163.11238	1.9
184.07411	1.4
185.04227	1.2
215.22888	0.7
243.08540	2.2
253.14485	1.1
335.25928	0.6
364.63480	0.6
465.20981	1.2
467.18866	8.7
469.20279	0.8
533.27161	0.7
535.28882	5.2
539.21185	0.7
761.40741	100.0
762.40967	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	761.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.01875	0.6
55.05515	0.9
57.03440	1.5
59.04998	1.0
61.02931	4.5
62.52770	0.3
67.05503	3.0
69.03436	2.9
69.07070	1.1
69.34962	3.7
71.01363	0.5
71.05002	2.4
73.02917	2.6
79.05499	3.5
81.03422	7.7
81.07057	3.5
83.04990	1.0
83.08611	1.8
85.02907	4.7
85.06563	0.6
86.09708	0.4
87.04482	1.2
91.03951	2.2
91.05480	4.2
91.06010	0.4
93.07055	3.3
95.04964	2.5
95.08617	1.3
95.50123	0.3
97.02891	3.8
97.06560	1.1
99.04475	0.8
101.02398	1.9
103.03963	0.6
105.07033	2.8
107.04982	1.1
107.08617	2.1
109.02901	0.7
109.06517	0.9
109.10168	0.9
111.04480	0.4
111.08104	1.1
117.07068	0.6
119.08604	2.3
121.06509	0.6
121.10131	2.9
123.08099	1.0
125.98996	0.3
127.03934	1.6
129.05540	0.4
129.07025	1.1
131.08580	2.6
133.10126	1.8
135.11711	0.5
137.06018	0.4
142.07811	0.4
145.10161	0.3
147.08141	0.4
147.11697	1.7
149.09641	3.3
157.10173	1.4
163.11238	0.8
163.66034	0.3
165.09157	0.7
165.12808	0.4
175.11163	1.9
181.12383	0.4
193.12250	2.9
197.15486	0.7
203.05435	0.7
211.13364	1.0
214.86272	0.3
221.48579	0.3
223.26505	0.3
225.14975	1.0
229.07639	0.4
233.11508	0.5
235.48885	0.4
243.08427	2.5
253.14034	0.5
264.55307	0.4
267.08987	0.5
267.15839	2.1
269.12677	0.4
283.15182	7.9
283.18048	0.5
285.10147	0.5
339.17792	2.5
441.21283	1.0
469.20471	1.0
483.22134	0.5
501.23077	33.3
502.23190	0.8
599.33911	0.8
657.30463	0.4
711.32141	0.5
761.39270	100.0
762.39764	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	759.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.4
55.01865	0.8
55.05512	3.6
57.03439	3.0
58.59461	0.5
61.02937	3.8
67.05169	0.9
67.05504	11.1
69.03428	2.8
69.07073	3.1
71.04995	0.7
71.59164	0.6
71.59531	0.6
73.02915	3.6
79.05492	9.7
79.28185	0.5
80.05827	0.9
81.03416	4.7
81.07058	10.8
82.07390	0.8
83.04979	2.0
83.08615	2.6
85.02905	3.8
86.09694	1.2
88.54211	0.5
91.03954	2.2
91.05473	7.7
93.07040	11.2
94.07380	1.1
95.04971	3.9
95.08603	6.9
97.02893	3.4
97.06533	1.4
101.02393	1.8
105.07025	5.8
107.04977	1.9
107.08588	5.6
108.05250	0.6
108.08953	0.6
109.02882	0.7
109.06529	1.2
109.10142	2.5
111.04453	1.6
111.08070	0.7
111.80493	0.5
115.04023	0.6
117.07034	2.2
119.08582	5.6
121.06506	0.6
121.10150	5.0
123.08109	0.6
125.00027	0.8
125.09660	0.5
127.03916	1.4
129.07037	1.5
131.08542	2.6
132.08881	0.6
133.10120	3.3
135.10826	0.6
135.11682	3.0
136.12083	0.9
143.08572	1.0
145.10144	3.4
146.10431	0.7
147.11668	2.7
149.09576	0.6
149.13313	0.9
159.11745	1.8
161.09660	0.6
161.13255	1.5
163.11234	1.8
163.38492	0.5
171.11739	1.6
173.09702	0.7
175.11267	0.8
175.20924	0.5
181.12263	0.8
181.75334	0.5
182.63278	0.5
184.07359	4.9
185.13304	0.6
191.10703	0.9
227.12808	0.8
243.08356	2.9
247.13156	1.8
259.20645	1.3
261.22278	0.8
262.22583	0.7
265.14642	0.7
266.14920	0.5
267.16019	2.8
283.15402	2.5
284.15793	1.9
298.71829	0.5
301.09033	1.6
301.16565	1.9
302.16687	1.0
307.70590	0.5
335.25812	5.2
336.26117	3.5
373.11383	0.8
379.19598	0.8
465.20926	11.6
466.21448	0.7
495.22327	0.6
527.37653	1.9
535.28943	6.5
537.23627	1.5
543.37018	0.8
544.37463	3.4
545.38361	1.9
561.37646	0.8
562.38226	4.3
731.12244	0.7
759.42902	100.0
760.43158	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	759.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96570	7.5
60.65821	3.6
69.54207	34.8
84.76157	3.7
98.97574	28.8
110.97598	5.9
112.89646	8.6
116.98620	33.4
118.60346	3.6
121.19460	3.8
128.98587	21.3
134.99677	12.8
143.00174	5.4
146.99666	24.7
147.00694	3.7
147.78218	3.9
150.17480	4.6
154.01346	3.7
158.99687	14.5
161.01302	8.3
165.00670	4.2
170.99634	28.6
177.00739	25.1
182.99661	6.8
189.00694	53.7
189.02144	5.3
195.01910	4.3
201.00710	45.2
207.01854	5.0
213.00755	5.3
219.01767	50.0
231.01776	11.9
237.02834	31.8
243.01845	18.1
255.04042	4.4
261.02814	100.0
261.05545	4.9
262.03192	3.7
273.02994	7.3
279.03918	52.8
291.03915	16.9
295.94189	4.0
321.04929	35.0
351.06052	10.2
381.07080	13.8
399.08438	21.9
417.04810	84.3
435.05902	12.3
441.09198	89.1
471.10385	6.2
501.11102	11.0
564.54974	4.4
673.33057	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01873	5.7
55.05512	28.0
55.55912	1.7
57.03442	20.5
57.03711	2.9
57.07038	2.8
59.06464	2.0
59.56130	1.8
60.08161	4.7
61.02922	5.3
67.05502	58.6
67.27024	1.8
69.03422	6.8
69.07065	18.9
70.19972	4.9
71.04990	7.3
71.07343	2.6
73.02914	2.5
77.03947	1.7
77.37219	1.8
79.05492	63.5
79.65994	1.8
81.03413	64.4
81.07056	62.3
83.04974	22.4
83.08618	28.9
85.02903	29.6
85.06542	4.4
86.09705	29.1
91.05476	84.0
93.07043	68.5
95.04962	35.0
95.08049	3.7
95.08607	39.5
97.02904	6.9
97.06535	7.0
97.10165	8.0
99.08092	4.6
100.34392	2.2
103.05499	2.5
104.10732	3.5
105.07031	80.3
105.12685	1.9
107.04961	10.8
107.08598	34.5
109.06525	8.9
109.10155	16.6
111.04449	3.3
111.08096	9.6
113.06004	2.0
115.05466	4.0
117.07021	19.4
119.08578	59.6
121.10139	28.8
123.08079	4.2
123.11716	6.1
124.99995	17.6
129.07008	22.5
131.08557	34.2
133.06522	3.3
133.10130	50.0
135.08066	3.1
135.11694	16.0
137.09599	2.1
141.06978	2.3
142.07785	4.7
143.08582	10.3
145.10127	24.0
147.08072	4.2
147.10509	3.1
147.11678	54.4
147.12793	3.9
149.09590	9.5
149.13277	6.5
151.11211	2.5
155.08543	3.6
157.10127	23.0
159.11697	19.9
161.13263	23.0
163.11177	4.8
163.14859	4.0
165.12793	3.7
169.10162	3.0
171.11681	13.6
173.13278	8.6
175.11218	18.2
175.14865	7.3
177.12708	2.2
183.11691	2.8
184.07338	100.0
185.13248	11.2
189.12704	2.2
193.12238	43.9
197.13283	3.2
199.14830	6.9
207.11618	2.6
211.13281	58.2
211.15253	2.8
227.12779	6.2
229.14198	4.3
231.21135	6.1
241.19527	27.6
257.18890	4.1
259.20581	59.6
261.21991	2.5
265.14218	2.3
267.15924	23.9
283.15305	3.6
285.16940	69.0
297.22086	2.2
299.23727	3.5
315.23193	5.3
327.23074	2.8
333.24207	61.2
335.25674	3.3
415.29877	3.1
433.31094	10.6
451.31937	8.8
469.32932	3.4
489.33331	2.7
507.34366	4.4
515.37268	4.1
525.35773	33.7
543.36798	95.4
544.37262	2.8
561.37592	2.5
689.96844	2.3
758.42487	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	758.4681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	6.0
55.01876	5.9
55.05269	1.4
55.05513	24.0
57.03444	18.8
57.07060	3.6
59.04951	1.5
60.08158	1.6
61.02915	4.9
61.17134	1.4
65.03934	4.7
67.05506	86.3
69.03421	4.7
69.07069	22.8
69.96799	5.1
71.04984	5.4
71.08607	1.6
73.02901	3.2
78.04722	1.2
79.05495	62.6
81.03426	6.3
81.07058	82.4
83.04981	18.0
83.08620	14.6
85.02901	8.6
85.06541	5.4
86.09727	7.2
91.03968	2.4
91.05481	44.0
93.07045	68.3
95.04966	18.2
95.08610	60.2
97.02896	10.1
97.06519	9.4
97.10163	5.2
99.04455	4.7
99.08079	3.4
105.04494	1.5
105.07029	34.4
107.04959	15.2
107.08601	43.2
109.02840	2.7
109.06525	5.7
109.09457	2.3
109.10158	26.8
111.04440	16.6
111.08063	3.5
117.07027	16.8
119.08588	26.7
121.06496	5.4
121.10151	28.7
123.04449	2.5
123.08085	2.7
123.11707	7.5
124.99995	3.9
125.05960	2.8
125.09634	3.8
129.07037	7.5
131.08565	21.0
133.06508	2.6
133.10129	23.0
135.08073	5.7
135.11693	31.2
137.09631	4.7
137.13246	2.5
139.11186	1.8
141.06956	2.0
143.08592	6.6
145.06450	3.4
145.10117	28.5
147.08026	4.8
147.11705	11.9
149.09639	6.2
149.13240	7.3
151.11176	5.0
155.08543	4.5
157.10139	6.3
159.11699	10.6
161.09631	3.1
161.13179	7.2
163.11171	18.2
163.14821	2.5
165.09055	1.5
166.07895	1.3
167.08533	1.6
169.10190	2.0
171.08144	1.5
171.11676	4.9
173.09612	7.8
173.11859	2.1
173.13226	8.8
175.11157	2.1
175.14828	3.0
177.12785	1.5
181.12231	3.6
182.86247	1.2
183.11807	2.6
184.07341	25.7
185.13248	3.5
187.11073	1.5
187.14836	3.6
191.10683	10.1
193.10071	1.2
197.09596	1.6
197.13333	3.0
201.16418	1.2
202.33772	1.3
209.11717	22.5
222.65845	1.4
227.12733	6.1
229.14430	2.0
243.21022	6.0
253.14296	7.0
255.15862	1.9
259.20407	1.8
261.22122	15.6
264.42911	1.2
273.22119	5.6
283.15405	84.6
284.15729	1.9
285.16794	2.2
289.21585	2.1
301.16528	9.7
313.21634	1.9
315.23215	3.6
317.24823	2.8
327.23276	1.9
329.24802	1.5
333.24399	3.7
335.25833	75.4
336.26163	4.4
345.23972	1.7
391.24994	1.6
415.29745	1.8
423.27432	1.4
423.32562	2.3
433.30859	6.4
451.32193	12.3
469.33252	10.8
487.34155	4.6
507.34579	3.5
515.37396	4.5
525.35693	20.9
543.36823	100.0
544.36945	2.7
561.37830	25.5
658.48230	1.4
759.41467	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	758.4682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.2
55.01873	5.7
55.05512	28.0
55.55912	1.7
57.03442	20.5
57.03711	2.9
57.07038	2.8
59.06464	2.0
59.56130	1.8
60.08161	4.7
61.02922	5.3
67.05502	58.6
67.27024	1.8
69.03422	6.8
69.07065	18.9
70.19972	4.9
71.04990	7.3
71.07343	2.6
73.02914	2.5
77.03947	1.7
77.37219	1.8
79.05492	63.5
79.65994	1.8
81.03413	64.4
81.07056	62.3
83.04974	22.4
83.08618	28.9
85.02903	29.6
85.06542	4.4
86.09705	29.1
91.05476	84.0
93.07043	68.5
95.04962	35.0
95.08049	3.7
95.08607	39.5
97.02904	6.9
97.06535	7.0
97.10165	8.0
99.08092	4.6
100.34392	2.2
103.05499	2.5
104.10732	3.5
105.07031	80.3
105.12685	1.9
107.04961	10.8
107.08598	34.5
109.06525	8.9
109.10155	16.6
111.04449	3.3
111.08096	9.6
113.06004	2.0
115.05466	4.0
117.07021	19.4
119.08578	59.6
121.10139	28.8
123.08079	4.2
123.11716	6.1
124.99995	17.6
129.07008	22.5
131.08557	34.2
133.06522	3.3
133.10130	50.0
135.08066	3.1
135.11694	16.0
137.09599	2.1
141.06978	2.3
142.07785	4.7
143.08582	10.3
145.10127	24.0
147.08072	4.2
147.10509	3.1
147.11678	54.4
147.12793	3.9
149.09590	9.5
149.13277	6.5
151.11211	2.5
155.08543	3.6
157.10127	23.0
159.11697	19.9
161.13263	23.0
163.11177	4.8
163.14859	4.0
165.12793	3.7
169.10162	3.0
171.11681	13.6
173.13278	8.6
175.11218	18.2
175.14865	7.3
177.12708	2.2
183.11691	2.8
184.07338	100.0
185.13248	11.2
189.12704	2.2
193.12238	43.9
197.13283	3.2
199.14830	6.9
207.11618	2.6
211.13281	58.2
211.15253	2.8
227.12779	6.2
229.14198	4.3
231.21135	6.1
241.19527	27.6
257.18890	4.1
259.20581	59.6
261.21991	2.5
265.14218	2.3
267.15924	23.9
283.15305	3.6
285.16940	69.0
297.22086	2.2
299.23727	3.5
315.23193	5.3
327.23074	2.8
333.24207	61.2
335.25674	3.3
415.29877	3.1
433.31094	10.6
451.31937	8.8
469.32932	3.4
489.33331	2.7
507.34366	4.4
515.37268	4.1
525.35773	33.7
543.36798	95.4
544.37262	2.8
561.37592	2.5
689.96844	2.3
758.42487	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	758.4679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	4.8
55.05510	19.8
57.03424	17.7
57.07077	5.1
61.02920	6.5
67.05171	5.4
67.05507	76.8
69.03436	6.7
69.07066	22.1
71.60757	8.0
77.26717	4.0
79.05492	57.5
81.03418	4.5
81.07057	67.2
83.04964	13.0
83.08617	12.0
85.02918	10.8
85.06590	5.3
91.05476	38.4
93.07035	64.9
95.04967	16.9
95.08610	45.7
97.02886	8.7
97.06523	7.5
99.04436	4.9
105.07037	23.2
107.04971	9.8
107.08582	48.7
109.06530	4.1
109.10129	26.1
111.04433	11.0
111.08095	6.3
115.05462	3.6
117.07018	12.7
119.08549	17.7
121.06491	5.1
121.10126	30.6
123.08106	5.2
123.11736	8.2
125.09608	3.6
129.07019	8.9
131.08562	20.0
133.10139	18.6
135.08006	5.2
135.11705	31.8
137.09593	6.0
143.08566	6.8
145.10114	22.7
147.11694	7.7
149.09639	7.3
149.13274	8.4
151.11180	4.5
155.08542	5.5
157.10197	5.9
159.11688	8.0
161.13295	6.1
163.11206	18.5
173.09622	5.3
173.13243	6.0
191.10658	6.4
203.10960	3.8
209.11742	23.1
227.12793	8.4
259.20477	4.9
261.22171	9.1
273.22119	6.8
279.56503	3.6
283.15387	85.7
301.16595	7.9
335.25803	87.7
336.26334	4.5
433.31168	4.6
451.31924	16.2
469.32922	6.8
507.34262	5.3
525.35529	20.6
543.36853	100.0
561.37933	33.7
732.14447	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	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.8
53.03942	2.6
55.01862	4.0
55.05513	18.3
57.03438	11.7
59.04989	2.2
60.04510	1.3
61.02920	5.1
61.80008	1.6
65.03951	2.0
66.07580	1.4
67.05505	47.6
69.03442	2.2
69.07082	7.5
71.04993	2.6
71.60232	2.1
73.02940	1.8
79.05497	26.5
81.03422	5.7
81.07061	41.7
82.07429	1.5
83.04984	3.5
83.08624	12.4
85.02906	3.4
85.06567	1.7
91.05484	23.5
93.07048	35.9
95.04984	7.6
95.08607	29.0
95.36842	1.6
97.02898	4.7
97.06535	4.7
97.10177	2.5
99.00820	14.6
103.05446	1.5
105.07036	23.8
107.04964	5.1
107.08602	22.4
109.02851	7.3
109.06520	3.6
109.10155	16.9
111.04481	1.7
111.08084	3.4
112.67690	1.4
115.03905	2.3
117.07060	3.6
119.08585	12.9
121.02859	1.6
121.06538	4.6
121.10133	12.2
123.08101	1.8
123.11712	6.2
125.09616	1.8
127.03957	2.3
131.08551	8.6
133.06561	1.8
133.10123	35.4
135.11700	9.2
135.12582	1.4
137.05939	1.7
139.07558	2.8
143.08549	3.4
145.10144	5.5
147.11708	5.2
147.55943	1.5
149.13286	4.5
151.11142	10.5
152.53680	1.7
159.11723	2.9
161.09613	12.6
161.13237	3.2
163.14868	2.2
165.43849	1.5
169.12236	1.5
171.08073	2.2
173.13289	3.5
179.10677	5.2
189.09091	7.1
197.11821	2.4
207.10167	3.2
225.11267	12.0
227.12633	1.5
243.12292	3.9
243.21147	5.3
261.22186	17.3
281.14151	1.5
299.14899	100.0
300.15295	3.6
317.24649	3.6
335.25797	77.4
336.26132	4.7
467.31555	4.9
485.32516	2.4
513.35608	5.3
531.36707	2.3
541.35291	7.4
559.36249	37.9
560.36475	1.8
577.37927	2.3
698.56708	1.8
779.56592	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	756.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	1.7
53.03944	3.2
55.01871	3.9
55.05259	1.6
55.05513	17.9
56.94778	1.1
57.03438	10.0
57.07073	2.0
59.04990	1.2
61.02908	2.8
65.03951	2.9
67.05508	39.3
69.03436	3.0
69.07067	10.9
69.57406	6.9
71.01351	1.2
71.04987	1.5
71.08616	1.1
73.02937	1.9
79.05066	1.7
79.05500	27.9
81.03421	3.9
81.07059	43.2
82.07364	1.7
83.04991	1.8
83.08628	11.3
85.02905	3.1
85.06542	2.7
91.03947	2.3
91.05484	25.1
93.07047	34.6
95.04955	5.9
95.08611	30.0
95.41763	1.2
97.02883	4.8
97.06518	3.9
97.10162	3.4
99.00818	15.2
99.04423	1.3
103.05449	1.2
105.07030	21.1
107.04950	6.2
107.08602	19.1
108.08946	1.2
109.02880	7.5
109.06546	3.7
109.10155	18.2
111.04418	1.3
111.08062	4.7
115.03902	1.4
117.07012	6.3
119.08581	14.0
121.06519	6.3
121.10149	14.6
123.04464	2.5
123.11726	6.0
127.03899	3.8
129.06981	1.9
131.08556	7.1
133.06514	1.3
133.09099	2.2
133.10132	37.1
135.08046	1.3
135.11684	8.9
137.05939	1.5
137.09642	1.2
137.13226	1.3
139.07535	2.1
143.08562	3.4
145.10179	5.2
146.98634	1.0
147.08070	1.7
147.11696	4.7
149.13239	4.5
151.11200	13.3
159.11681	4.1
161.09645	17.2
161.13281	3.6
163.14827	2.3
171.08041	2.6
173.13257	3.5
175.14813	2.7
177.16316	1.5
179.10652	7.9
187.14833	1.5
189.09064	9.3
197.11768	2.8
207.10132	3.6
225.11217	12.2
243.12270	3.6
243.21062	6.0
261.22144	15.0
277.21640	1.6
281.13828	2.5
297.21979	1.3
299.14905	100.0
300.15347	1.8
315.23215	1.7
317.24890	2.7
335.25803	77.1
336.26041	2.3
417.12784	1.3
421.31061	1.5
449.30270	1.6
467.31381	4.3
485.32733	2.6
513.35663	1.8
531.27808	1.1
531.36389	2.2
541.35236	6.3
559.36353	33.4
560.36334	1.4
635.45795	1.1
663.48236	1.2
667.40277	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	756.4532
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	12.2
55.01874	18.2
55.05507	52.9
57.03434	20.6
61.02908	9.8
67.05518	54.6
69.07056	27.6
79.05503	71.4
80.06865	8.5
81.03413	41.6
81.07047	78.8
83.04982	30.5
83.08612	24.1
83.30800	8.5
85.02907	20.2
86.09702	12.5
87.04486	10.4
91.05491	81.9
93.07070	72.4
95.04966	30.2
95.08596	45.2
97.06527	13.2
97.10161	20.6
98.21537	19.3
105.07037	91.0
107.04939	29.7
107.08599	42.3
109.06532	21.8
109.10154	27.3
111.04520	9.9
117.07000	12.6
119.08570	69.3
121.06427	14.3
121.10136	32.2
123.08079	17.6
129.07002	16.7
131.08572	37.1
133.10152	43.9
135.08064	21.2
135.11679	21.9
137.09663	10.9
145.10118	45.5
147.11652	30.9
153.81206	9.0
157.10210	12.8
159.11726	18.0
161.13300	13.5
163.11179	18.4
171.11772	13.4
175.11307	9.0
184.07336	32.2
193.12251	19.3
211.13327	16.7
257.34091	9.0
259.20691	48.4
259.23022	10.1
267.15961	25.0
275.20218	17.1
283.15427	70.5
285.16989	29.7
307.72931	10.4
333.24152	38.0
349.23746	24.8
373.56802	10.4
541.35120	100.0
559.36163	98.3
598.63110	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	756.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01742	1.6
55.02026	1.3
55.05373	4.8
55.05681	3.5
57.03298	3.1
57.03619	2.1
59.04910	0.6
59.05161	0.5
61.07426	0.4
67.05349	11.0
67.05755	4.9
69.03267	2.1
69.06912	3.1
69.07319	1.1
69.37534	5.1
71.04835	2.1
71.05269	0.8
79.05319	10.0
79.05836	2.9
81.03245	26.6
81.04069	1.0
81.06886	10.5
81.07421	2.9
83.04803	2.8
83.08450	8.7
83.09005	2.4
85.02761	1.2
85.06410	1.1
85.06847	0.6
85.56787	0.5
89.25726	0.5
91.05299	9.6
91.05935	2.2
93.06856	9.2
93.07520	2.1
95.04779	14.5
95.05457	2.7
95.08418	5.6
95.09074	0.9
97.02776	1.0
97.06326	1.9
97.09980	9.4
97.10670	1.8
98.10359	0.5
98.20753	1.1
99.04333	0.8
105.06838	7.5
105.07600	1.1
107.04757	8.0
107.05537	1.2
107.08398	7.7
107.09181	1.2
109.02711	0.7
109.06316	6.3
109.09951	6.0
111.04330	0.9
111.07879	3.5
115.05271	1.4
117.06803	4.0
118.90415	0.4
119.04774	0.7
119.08373	7.8
121.06299	6.4
121.09930	6.0
122.06564	0.5
123.04298	1.1
123.07858	2.9
123.11506	1.6
125.05830	0.6
125.09418	9.9
129.06789	5.9
129.07829	0.7
131.04729	1.5
131.08353	6.6
131.09396	0.7
133.06270	3.2
133.09912	5.8
135.07832	4.2
135.11450	2.0
137.05807	0.9
137.09419	1.2
139.07220	0.5
139.10992	0.6
141.06836	0.7
142.07632	0.9
143.08356	2.1
145.06268	4.7
145.09895	3.1
147.04257	0.8
147.07834	3.4
147.11465	5.2
149.09375	3.0
151.10939	2.1
153.09084	2.8
153.12599	0.9
155.08313	1.5
157.06325	1.0
157.09895	5.7
159.07903	1.1
159.11444	1.5
161.05826	1.1
161.09409	2.4
163.07359	0.8
163.11188	2.9
165.12500	1.5
167.08427	0.6
167.10521	1.3
169.09903	1.6
171.07971	0.9
171.10037	0.7
171.11470	1.9
173.09491	1.1
173.11555	1.1
173.12996	1.4
173.14409	0.6
175.07309	0.6
175.11177	6.1
177.12563	1.5
181.10007	0.7
185.09541	0.8
185.13068	0.9
187.11081	1.1
187.14630	0.8
188.77937	0.6
189.08887	0.7
189.10997	6.8
189.12634	1.4
191.10506	1.0
191.14154	1.2
193.12242	13.8
195.11569	0.6
197.09497	1.0
197.13156	0.9
199.11049	1.4
199.12935	1.0
201.12617	0.9
205.12041	1.2
209.13164	0.9
211.13078	1.5
213.12607	0.8
215.14085	1.6
217.12175	1.1
219.13571	2.3
223.13065	1.8
225.12613	1.0
227.12465	2.5
227.14461	0.9
229.14064	1.6
231.13585	1.5
233.15382	3.4
235.13170	1.0
237.12550	1.3
239.14172	0.7
241.14166	0.8
243.13802	0.7
245.15276	1.2
249.14680	1.3
255.13550	1.4
257.15155	0.9
259.13129	2.1
267.15918	42.3
268.16312	0.7
273.12424	0.6
273.14798	6.3
273.17395	0.9
275.16434	0.6
276.24335	0.5
283.15350	1.1
289.17978	0.6
293.17279	1.1
309.16989	0.8
311.05493	3.2
315.18237	0.7
317.15927	4.1
324.41736	0.5
329.24936	0.6
331.20160	0.7
339.23013	2.0
349.21603	4.7
357.24164	2.0
367.18390	0.7
367.22702	12.0
379.11685	0.7
385.23749	21.1
403.24847	6.1
423.24979	0.7
437.25406	0.9
441.26324	9.3
455.26367	0.7
459.27408	100.0
460.27786	2.7
477.28494	90.5
478.28674	3.4
491.30075	12.2
501.28265	2.7
509.27948	2.9
509.30966	3.5
513.28741	1.2
541.33527	1.0
543.29437	0.8
567.29578	1.7
788.85345	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.0
55.01879	19.5
55.05511	52.4
57.03437	25.8
57.07080	3.0
57.84789	1.8
59.05003	46.3
60.16725	2.0
61.02927	6.4
61.54319	1.8
65.03936	2.4
65.66130	2.0
67.05505	100.0
69.03439	11.2
69.07064	19.0
71.04994	18.5
73.02930	7.6
79.05495	41.1
81.03423	34.9
81.07058	40.9
82.04224	4.1
83.04984	21.9
83.08623	24.5
85.02920	16.0
85.06555	6.1
87.04472	57.7
91.03954	2.3
91.05477	25.0
93.07040	29.7
95.04980	18.1
95.08614	17.1
97.02887	12.7
97.06538	12.0
97.10172	35.5
98.07317	5.2
99.04457	24.3
99.08092	2.3
101.06055	2.1
105.07028	14.9
107.04968	7.4
107.08595	27.4
109.02895	3.5
109.06554	6.5
109.10159	72.4
111.04462	7.5
111.08092	8.7
113.05960	2.7
115.03876	3.4
116.04737	11.6
117.07014	8.9
119.08588	14.6
121.06554	3.0
121.10146	8.5
123.08073	8.1
125.05963	2.6
125.09637	35.8
127.03905	2.6
127.11177	3.0
129.05478	31.1
129.06960	4.6
131.08569	7.9
133.10136	10.5
135.08070	5.6
135.11726	11.7
137.09613	6.6
143.07054	8.9
143.10736	2.7
145.10132	10.2
147.08034	3.1
147.11716	3.6
149.09642	6.5
153.01782	1.8
153.12723	5.8
153.18478	1.7
155.10706	5.3
157.08638	13.3
157.10150	6.1
158.05795	2.5
161.09583	2.3
163.11205	17.2
171.06592	4.6
171.10132	4.4
173.09621	3.6
173.10318	2.7
173.11737	27.2
175.11195	5.6
181.12263	7.1
185.08118	2.6
189.11263	10.9
191.10704	5.7
193.12263	8.7
199.13277	18.3
200.13980	4.5
209.11754	15.9
211.13336	5.2
220.09431	2.2
223.13287	2.7
227.12772	16.7
229.14368	67.1
241.14340	6.0
255.16010	4.2
265.14520	2.3
267.15897	6.7
271.06039	5.3
271.15320	3.1
275.13229	2.0
283.15454	19.9
284.16299	2.5
301.16467	42.8
315.18024	5.0
326.24503	3.5
329.16104	2.7
353.22958	2.1
369.22366	2.1
383.24258	5.7
421.25891	7.0
437.25317	7.2
438.26205	5.6
443.26352	5.3
455.26453	40.9
541.30176	25.4
559.31140	18.9
568.02264	2.1
577.24158	2.6
579.00806	2.3
596.44617	2.4
756.39423	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	754.473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.1
55.01867	2.9
55.05511	25.2
57.03449	14.3
57.07055	2.2
65.03939	5.9
67.05506	68.3
67.48532	2.4
69.03429	3.6
69.07068	20.9
71.04991	6.3
71.60503	3.5
79.05494	81.7
81.03424	9.4
81.07060	64.7
83.04982	10.7
83.08620	12.4
91.05485	87.0
93.07047	93.5
93.07631	4.9
95.04971	18.0
95.08606	44.6
97.02883	3.4
97.06540	6.8
97.10165	7.5
99.41962	2.1
105.07030	81.4
105.37553	2.7
107.04963	12.0
107.08593	36.8
109.06512	8.1
109.10187	13.6
111.08124	3.4
112.24178	2.3
115.05451	3.4
117.07033	19.9
119.08578	60.4
121.06509	3.6
121.10133	22.7
123.08060	3.1
125.09636	2.6
128.06242	3.9
129.07007	22.5
131.08597	24.2
133.10138	42.0
134.10574	2.6
135.11703	15.1
143.08540	13.6
145.10118	23.5
147.08047	3.8
147.11687	59.4
149.13229	9.1
157.10146	10.0
159.11681	14.5
161.09682	4.1
161.13248	37.1
163.11153	2.5
168.07861	2.6
169.10155	3.9
171.11707	32.2
173.09599	2.4
173.13223	12.6
175.11275	2.6
175.14836	10.4
179.14311	3.3
183.11562	4.1
185.13275	10.0
187.14825	2.4
189.12787	10.8
199.14859	6.8
203.14243	2.4
207.13832	23.9
217.19615	3.1
231.21043	6.2
241.19492	27.5
257.18958	5.1
259.20572	71.6
261.22189	3.8
279.15952	23.4
281.17480	81.2
311.25958	3.6
313.21408	2.6
315.23059	11.8
323.12436	2.5
331.22806	2.7
333.24261	55.7
334.24695	2.9
447.32419	10.4
465.33749	4.7
483.34549	7.5
503.36908	4.2
521.35864	5.2
529.38959	3.5
539.37360	100.0
540.37927	3.3
557.38477	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.6
55.01872	6.5
55.05513	11.5
57.03436	4.6
59.04980	2.1
64.92423	1.5
65.03925	1.7
65.71999	1.6
67.05512	12.0
69.07080	9.7
69.26524	12.3
69.26941	4.7
71.04987	2.4
79.05495	15.1
81.03410	7.7
81.07056	22.6
83.01351	3.0
83.04987	4.2
83.08618	5.4
85.02924	3.0
89.82208	1.7
91.05486	20.2
93.07053	20.3
95.01360	2.2
95.04974	5.5
95.08612	15.2
97.06547	10.8
97.10178	2.2
98.20715	3.2
99.04465	2.2
105.07037	30.8
107.04959	10.9
107.08582	8.1
109.06528	3.9
109.10168	5.0
111.08073	2.7
117.07032	6.0
119.08601	15.8
121.06439	2.5
121.10164	5.3
123.04479	2.2
123.08086	3.5
129.07016	2.4
131.08591	10.5
133.10147	17.2
135.08096	3.6
135.11700	7.1
137.09528	2.0
143.08575	1.9
145.10152	10.2
147.11705	5.2
149.09625	3.2
155.08582	1.9
157.10118	1.7
159.11723	3.4
161.13271	2.5
163.11174	12.0
173.09712	1.5
173.13229	1.6
179.14333	5.6
191.10574	2.0
196.15269	1.6
209.11644	1.9
227.12949	2.5
257.18961	2.2
265.14478	1.9
275.20090	28.1
283.15427	56.8
293.21146	2.2
349.23831	13.0
539.33673	1.9
557.34760	100.0
558.34503	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	754.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.6
54.09505	2.4
55.01884	10.9
55.05510	27.5
57.03446	16.0
57.07071	2.1
59.05001	4.2
61.02920	4.4
62.33866	1.8
64.29909	1.9
64.53458	2.0
65.03955	2.5
65.61372	1.8
67.05508	56.0
69.03430	19.8
69.07072	14.1
69.86310	13.0
71.01337	4.1
71.04996	14.3
72.01476	1.8
73.02922	4.5
77.03924	2.4
79.05497	48.4
79.05962	2.6
81.03423	100.0
81.07062	46.1
82.03752	2.6
83.01344	2.7
83.04987	25.1
83.08620	28.9
85.02903	26.4
85.06561	3.3
91.05482	48.1
93.07052	38.4
95.04974	38.7
95.08609	19.3
96.37460	2.1
97.02893	18.6
97.06535	13.3
97.10165	14.6
98.03680	6.5
98.21530	1.9
99.04464	8.7
99.08104	3.6
105.07039	36.7
107.04969	23.2
107.08607	17.7
109.02898	9.9
109.06548	11.2
109.10159	25.1
110.07302	6.6
111.04461	13.2
111.08096	13.7
113.06029	3.7
115.05499	2.8
117.07002	9.8
119.08579	32.9
121.06521	5.8
121.10146	17.6
123.04440	8.7
123.08066	8.6
123.11725	2.6
124.00403	1.7
125.05997	4.4
125.09591	10.6
127.03957	10.7
127.07578	2.4
129.05479	8.1
129.07005	15.4
130.07788	2.0
131.04961	3.3
131.08578	18.1
133.06497	6.9
133.10144	17.8
135.08047	5.1
135.11732	9.0
137.06026	2.6
137.09615	4.6
138.10626	2.0
139.03935	2.2
142.07814	3.1
143.08630	3.9
145.06476	4.3
145.10110	13.3
146.82393	1.8
147.08041	5.5
147.11688	21.6
148.32663	1.9
149.09636	10.3
150.09932	2.2
151.11214	2.8
153.05597	3.0
153.09113	6.0
153.12753	5.6
155.08578	4.1
157.10135	18.5
163.11195	18.7
165.12816	5.4
173.04466	27.2
173.09645	3.7
173.11755	8.4
175.11182	18.9
181.12279	5.4
189.11263	5.6
191.10699	8.9
193.12263	55.3
199.06049	8.5
199.13248	4.0
209.11746	12.9
211.13301	57.4
223.13298	1.9
223.41109	1.9
224.14067	4.8
224.40953	2.1
227.12759	18.9
229.14380	9.0
249.15010	2.3
265.14380	4.5
267.15909	45.9
271.13400	2.9
283.15393	12.0
285.10193	2.3
285.16983	32.3
301.16418	4.3
308.44354	2.7
315.18018	8.4
337.16281	2.7
383.22421	3.0
409.25980	2.8
411.20145	2.0
421.25836	9.7
427.19962	2.3
439.26941	69.6
445.21039	4.2
457.25742	16.1
458.27063	3.0
459.27322	4.0
475.26990	31.1
476.27560	5.8
477.28732	4.8
493.27942	23.2
507.29456	11.8
508.30176	3.5
511.29208	12.4
605.44098	2.1
621.32507	3.3
639.33325	7.2
655.32446	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	753.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.6
55.01881	12.2
55.05510	29.7
57.03442	15.1
57.07061	3.3
59.04987	4.7
65.03918	4.3
67.05502	83.0
69.03431	24.8
69.07078	15.6
71.01336	5.1
71.04984	9.2
71.60032	3.6
72.19184	2.2
73.02923	3.2
79.05501	26.9
81.03419	100.0
81.07053	40.6
83.04984	21.1
83.08627	22.9
85.02905	32.1
91.05492	34.7
93.07043	22.5
95.04964	32.0
95.08599	14.9
97.02879	20.2
97.06530	6.5
97.10178	12.5
99.04453	4.1
103.05484	2.5
105.07024	19.6
107.04963	13.6
107.08585	17.5
109.02885	15.1
109.06522	5.9
109.10157	42.1
111.04462	7.4
111.08083	10.7
115.05507	2.8
117.07017	6.8
119.04980	3.0
119.08591	20.6
121.06496	4.0
121.10198	13.3
123.04465	3.1
123.08044	5.0
125.09600	12.8
127.03923	17.3
129.05478	2.8
129.07021	7.9
131.04926	3.1
131.08578	11.7
133.06528	3.1
133.10138	9.4
135.04416	3.4
135.11703	5.5
136.85373	2.5
142.07803	3.3
145.10133	6.8
147.08047	3.4
147.11705	9.5
149.09619	7.5
151.03848	3.1
157.10143	9.9
161.09627	3.3
163.11183	6.7
165.12762	3.1
173.04489	14.4
173.09653	3.1
173.11752	13.2
175.11177	10.1
181.12300	4.3
183.06509	3.3
189.11256	2.9
191.10666	2.5
193.12244	31.3
209.11787	6.3
211.06097	3.8
211.13295	46.8
217.12247	2.4
227.12788	11.5
229.14368	22.2
235.13266	3.0
250.08173	2.4
267.15884	20.0
277.14313	3.3
283.15714	3.0
285.16992	5.7
301.14233	2.8
309.16928	7.5
319.15381	2.8
421.25778	6.7
439.26904	39.6
440.27557	2.7
479.59052	2.7
493.28076	2.5
511.29013	5.8
544.20355	3.2
583.30402	3.9
609.36121	2.9
735.38605	4.5
735.78479	2.7
753.40570	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	752.4568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.8
55.01865	8.3
55.05511	10.0
57.03421	2.6
67.05173	1.7
67.05502	24.4
69.07068	16.5
71.05001	1.7
79.05058	2.0
79.05487	23.2
81.03403	6.1
81.07053	30.0
83.04972	5.4
83.08600	5.4
86.85168	1.5
91.05476	26.0
93.07037	26.3
93.30173	1.2
95.01295	3.0
95.04954	8.6
95.08604	15.6
97.02863	1.6
97.06529	20.7
97.10149	3.0
98.20750	4.7
105.07026	37.0
107.04952	8.9
107.08599	10.5
107.21562	1.5
109.06499	2.6
109.10153	5.8
117.07011	8.2
119.08578	20.4
121.06486	2.7
121.10132	4.8
122.41921	1.2
123.08052	2.9
129.06990	4.3
131.08589	7.1
133.10141	14.8
135.11687	4.5
138.95903	1.4
143.08546	2.7
145.10104	9.5
147.08044	1.5
147.11676	15.7
149.09583	4.3
151.11172	1.9
157.06354	1.5
159.11714	3.3
160.90002	1.5
161.09625	1.8
161.13275	4.6
171.11667	6.5
173.13255	1.5
179.14313	4.7
189.12737	3.1
199.30762	1.5
207.13768	3.5
275.20047	31.5
279.15933	2.1
281.17462	24.1
311.25803	3.0
349.23688	16.7
357.56223	1.4
537.36145	2.3
555.36774	100.0
556.36346	2.1
573.37018	1.9
694.90594	1.7
705.01807	1.6
752.43524	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	747.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97762	0.3
53.03941	0.6
55.01875	0.6
55.05507	1.9
57.03434	1.7
61.02930	4.9
65.03946	0.4
67.05170	0.4
67.05508	4.4
69.03426	3.3
69.07056	1.2
71.01355	0.5
71.04985	0.9
73.02914	3.7
79.05494	3.1
81.03426	4.1
81.07053	4.8
83.08611	1.0
85.02420	0.5
85.02908	6.8
85.03426	0.3
87.04475	0.4
91.03953	3.4
91.05479	3.3
93.07042	3.4
95.04968	2.0
95.08611	3.3
97.02895	5.7
97.06496	0.4
97.10160	0.3
99.04476	1.2
101.02377	2.4
103.03948	0.7
105.07034	2.2
107.04957	0.4
107.08606	1.7
109.02909	0.8
109.06493	0.4
109.10168	1.2
111.04454	0.3
111.08056	0.7
117.07020	0.5
119.08588	2.0
121.10181	1.4
123.08071	0.3
123.11744	0.3
127.03925	1.9
129.07007	1.0
131.08594	1.2
133.10120	1.6
135.11732	0.6
139.14893	0.3
145.04953	0.4
145.10135	0.3
147.11696	1.0
149.09695	0.3
157.10179	1.1
175.11206	0.8
184.07407	0.6
185.04265	0.8
193.12288	1.6
203.05348	0.5
211.13324	0.8
219.01596	0.3
243.08371	2.3
251.12625	0.9
268.39978	0.3
269.12192	0.5
335.25800	0.6
430.46588	0.3
441.15329	0.3
451.91486	0.3
469.20477	8.4
519.29224	4.3
747.42896	100.0
748.42938	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	747.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95613	0.6
53.71935	0.7
54.28823	0.7
55.05501	1.9
57.03433	1.6
57.07078	1.0
59.09004	0.7
61.02927	5.0
67.05499	6.2
69.03429	3.2
69.07072	1.0
71.00613	0.7
71.01369	1.0
73.02916	3.1
79.05475	3.4
81.03413	3.5
81.07057	4.7
83.08630	2.0
85.02898	6.0
91.03960	2.6
91.05479	3.1
93.07045	4.0
95.04962	1.7
95.08614	3.3
97.02875	3.6
97.06534	0.8
98.20748	2.1
98.98460	0.8
101.02374	1.8
105.07043	1.9
107.04947	1.0
107.08605	1.7
109.02863	1.1
109.10154	1.2
119.08608	2.1
121.10168	1.9
127.03933	1.1
131.08540	1.1
133.10132	0.8
135.11795	0.8
147.11700	1.1
157.10196	1.1
184.07384	1.5
193.12300	1.6
227.20163	0.8
243.08473	2.4
251.12740	1.3
313.27390	1.2
335.25784	1.0
444.10422	0.7
469.20471	7.6
519.29565	4.4
533.85370	0.8
545.69019	0.7
647.20313	0.8
727.50787	1.0
747.42896	100.0
748.42993	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	745.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.95534	0.4
55.01876	0.5
55.05510	1.6
57.03425	1.8
61.02928	4.1
67.05506	6.1
69.03425	2.5
69.07068	1.9
70.34132	0.8
70.34523	1.1
71.04976	1.1
73.02918	4.2
79.05498	3.5
81.03432	1.8
81.07068	5.5
83.08629	1.0
85.02901	4.1
90.53007	0.4
91.03963	2.6
91.05489	2.4
93.07051	4.5
95.04987	0.5
95.08591	3.9
96.09014	0.5
96.71628	0.4
97.02898	3.6
99.04462	1.4
101.02377	2.0
103.03936	0.5
105.07033	2.1
107.04980	0.6
107.08598	3.4
109.10164	1.4
111.77065	0.5
117.07064	1.1
119.08607	1.8
121.10174	1.4
122.87907	0.4
127.03928	1.0
131.08598	0.8
133.10139	0.8
135.11716	3.9
143.08595	0.6
145.10130	1.9
161.13341	0.5
163.11237	4.2
171.31860	0.4
181.12311	0.8
185.04179	0.4
203.05402	0.5
227.12784	3.4
243.08492	2.8
249.11002	8.3
249.13394	0.7
305.13678	1.7
309.75229	0.5
335.26041	0.7
340.80811	0.5
398.47281	0.4
408.40219	0.5
445.49533	0.6
467.18927	11.4
467.25317	0.8
467.39893	0.5
467.47983	0.6
468.19449	0.8
516.13660	0.5
519.29254	6.2
745.41302	100.0
746.41766	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	747.3772
Annotation	Pandicine
Peak:m/z	Relative Intensity
52.13442	1.0
53.03936	1.6
55.01872	1.5
55.05515	2.8
56.96563	1.1
57.03444	3.9
60.56060	0.9
61.02942	5.9
67.05507	7.0
69.03439	4.0
69.07071	2.4
70.06606	2.3
71.05003	2.5
73.02933	3.6
79.05492	6.1
81.03414	11.3
81.07048	5.7
83.08641	2.7
83.17532	1.0
85.02892	8.7
86.09729	1.6
91.03979	2.7
91.05479	6.4
93.07040	5.7
95.04979	5.6
95.08623	3.4
97.02914	7.1
97.06516	1.5
97.10164	0.9
98.20778	1.9
98.52087	1.0
99.04469	1.6
101.02396	1.9
103.03989	1.0
105.07023	5.2
107.05019	1.4
107.08619	2.8
109.02923	2.1
109.06525	1.1
109.10199	1.4
111.08089	1.3
119.08613	3.6
120.08077	1.1
121.06539	1.1
121.10136	4.6
122.09691	1.8
123.99463	0.9
127.03959	3.4
129.06995	2.4
131.05022	1.1
131.08641	3.1
133.06595	0.9
133.10193	2.3
135.08124	1.0
145.05003	1.1
147.11743	2.7
149.09592	5.1
153.01898	1.4
157.10191	3.8
163.11224	1.8
167.07060	1.5
175.11230	3.2
193.12331	4.4
209.11833	1.3
211.13440	2.6
240.01236	1.0
243.08524	3.0
267.09250	2.8
267.16138	3.0
269.13635	1.8
283.15201	5.3
285.10275	3.8
285.17264	1.9
287.05600	2.8
299.05814	1.2
301.14465	2.1
344.39636	1.1
438.18509	2.6
443.19034	6.8
469.20520	4.5
479.17032	9.4
480.17346	1.2
485.19922	1.1
487.21353	8.2
497.17923	1.2
501.23093	16.4
553.20886	5.1
571.22070	2.8
585.31549	1.2
657.28979	5.5
703.35181	2.8
729.35608	2.4
742.90991	1.1
747.37750	100.0
748.38202	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	745.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.96782	0.3
55.01867	1.0
55.05513	2.6
57.03437	1.8
57.07028	0.4
61.02928	5.6
64.83721	0.4
67.05510	5.0
69.03432	3.4
69.07068	1.5
71.01338	0.7
71.04994	0.9
71.59854	0.5
73.02923	3.3
79.05495	4.1
81.03415	3.0
81.07062	5.4
83.04985	1.0
83.08605	0.9
85.02907	5.6
87.04488	0.7
89.23941	0.4
91.03968	3.2
91.05482	2.8
93.07056	4.4
95.04962	1.2
95.08607	3.4
97.02892	4.8
97.06549	0.5
97.10165	0.4
99.04466	0.8
101.02373	2.0
105.07045	1.6
107.05010	0.5
107.08598	2.1
109.02864	0.8
109.06527	0.7
109.10168	1.6
117.07067	1.0
119.08601	1.5
121.10170	1.7
123.08092	0.8
123.11837	0.5
127.03902	1.8
131.08598	1.2
133.10152	0.8
135.11729	1.4
145.05017	0.4
145.10164	1.5
147.11694	0.5
147.92651	0.3
149.51614	0.4
163.11218	2.3
185.04335	0.6
211.13379	0.6
216.28970	0.4
243.08405	1.9
249.10997	0.5
283.15503	1.0
285.16977	0.8
286.17520	0.5
335.25839	0.4
337.27310	1.1
338.27872	0.5
467.18958	7.4
473.26169	0.4
519.29437	3.9
530.39557	0.4
547.40063	0.8
548.40546	2.1
745.41345	100.0
746.41693	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	745.3623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.8
55.01866	1.1
55.05522	1.3
57.03441	2.0
61.02929	4.1
67.05497	3.5
69.03431	2.9
69.07073	1.3
70.92658	1.7
71.04999	1.1
73.02928	2.6
79.05496	3.5
81.03426	4.8
81.07056	3.9
83.04980	1.5
83.08622	0.9
85.02908	5.2
88.65599	0.5
91.03976	2.0
91.05502	2.2
93.07059	2.1
93.79964	0.6
95.04967	1.8
95.08626	0.9
97.02907	3.8
97.06503	0.8
99.04459	1.3
101.02397	1.7
103.03959	0.6
105.07059	1.2
107.08607	1.8
109.02879	0.8
109.06537	0.7
109.10191	1.9
111.04500	0.6
111.08083	0.6
119.08617	1.7
121.10165	1.9
123.11701	0.5
125.09667	0.8
127.03957	1.8
129.05501	1.6
129.07043	0.9
131.08609	1.5
133.10168	1.7
135.11720	0.7
137.05876	0.6
145.10170	0.8
147.11678	1.3
149.09641	0.9
157.10173	0.8
163.11168	1.0
167.07068	0.8
175.11293	1.0
185.04214	3.5
193.12346	1.7
201.03850	0.9
204.06276	0.6
207.13657	1.0
230.08047	0.6
243.08502	2.6
251.12596	1.1
259.08127	0.6
267.09207	0.8
283.15189	9.0
285.10101	0.9
301.08908	11.5
309.16995	1.9
315.10428	3.0
323.18301	1.4
339.18039	0.8
343.13947	1.1
355.13724	0.7
373.10999	3.6
381.18887	4.1
383.16916	1.4
385.18332	5.1
399.20056	2.2
399.66052	0.5
413.17859	1.0
427.19287	6.6
429.17758	1.1
439.20007	0.9
441.21237	1.5
443.18732	1.1
451.19370	0.8
465.28448	2.4
469.20230	3.1
483.22073	1.5
485.19849	1.6
499.21170	3.6
501.23218	16.1
511.28900	1.6
516.21912	0.9
517.23010	1.1
529.22552	10.7
529.29999	0.9
545.22119	0.9
573.25146	6.9
587.26837	1.7
601.28369	2.3
613.32043	1.6
615.30029	1.5
629.31787	1.0
641.31305	3.8
643.33246	4.6
643.43170	0.8
655.27240	1.0
657.35370	0.7
673.33990	1.4
683.35938	0.7
685.34393	1.1
687.36871	0.7
699.35394	1.0
727.34998	3.0
745.35968	100.0
746.36517	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04042	0.7
55.05620	0.7
57.03283	0.7
57.03569	0.8
57.75734	0.5
58.18438	0.4
61.02744	2.0
61.03101	2.5
64.51049	0.5
67.05308	3.0
67.05716	2.9
68.06026	0.4
69.03241	1.4
69.03648	1.4
69.06931	0.6
69.07236	0.6
71.04850	0.6
71.05168	0.5
71.60468	0.8
73.02713	2.0
73.03176	1.4
79.05267	1.6
79.05779	0.9
81.03193	2.6
81.03719	1.4
81.06832	2.2
81.07353	0.8
83.04823	0.6
83.08460	0.8
83.08887	0.5
85.02682	3.8
85.03259	1.8
87.04295	0.4
91.03713	1.9
91.04327	0.8
91.05251	2.2
91.05861	0.9
93.06818	1.2
95.04735	1.3
95.08395	1.0
95.08959	0.6
97.02648	3.3
97.03333	1.4
99.04252	1.0
101.02132	1.3
103.05318	0.6
105.06757	1.8
107.04770	0.6
107.08337	1.2
107.09071	0.6
109.02641	1.0
109.09891	5.4
109.10708	1.6
111.04241	0.4
115.03709	0.5
119.08321	1.4
119.09066	0.8
121.09880	1.3
125.09425	0.4
127.03617	1.4
129.06744	0.7
131.04781	0.8
131.08397	0.8
133.06244	0.4
133.09924	1.0
137.05759	1.1
143.44786	0.5
145.04707	0.5
145.32726	0.4
147.11372	1.3
147.12502	0.5
149.09445	0.6
157.09911	0.8
163.07216	1.6
167.06680	1.3
173.11424	2.6
175.10994	0.9
193.11906	2.0
195.09654	1.2
203.04900	0.6
211.12932	1.3
227.12314	0.4
229.13971	1.6
229.15990	0.4
243.08038	1.8
251.12132	1.5
267.15753	0.5
269.12100	0.6
285.09720	1.2
307.14850	0.7
368.26041	0.5
413.17838	11.8
469.20444	11.3
479.33051	0.6
501.22806	1.0
529.03894	0.5
641.31458	100.0
642.31799	4.6
699.35559	1.4
727.34943	1.8
745.35767	31.1
746.34906	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	745.3389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	0.9
56.05029	0.7
56.96562	0.9
57.03429	0.5
60.37788	0.5
61.02914	0.7
67.05499	1.9
69.03431	0.9
69.07067	0.6
70.06581	0.8
71.59545	0.6
73.02894	0.5
79.05492	1.8
81.03397	2.3
81.07050	1.7
83.04993	0.6
83.08604	0.5
85.02898	1.7
86.09695	0.6
91.03979	0.9
91.05476	1.2
93.07035	1.2
95.04968	1.2
95.08607	1.3
95.56397	0.4
97.02877	1.3
97.06496	0.6
105.07036	1.1
107.08593	1.0
109.10207	0.9
111.04433	0.5
119.08599	1.0
121.10187	0.8
129.07079	0.5
131.00163	0.6
131.08611	0.5
135.15263	0.4
137.09679	0.4
139.30260	0.5
147.11668	0.9
149.01239	1.0
163.11237	0.7
173.09668	0.5
177.00739	0.9
183.11792	0.5
193.12239	1.0
203.02225	0.5
211.13257	0.6
219.75356	0.6
240.18463	0.4
249.08238	0.5
267.09039	5.0
267.15945	0.6
269.10770	0.5
285.10080	5.2
286.06863	0.4
286.10388	0.5
290.10672	0.9
293.05432	0.5
299.11618	0.5
308.11771	1.0
309.10022	1.2
323.11868	0.6
429.43710	0.6
461.15936	0.5
467.19067	0.8
485.16721	6.2
501.23117	2.4
517.20697	0.6
667.33630	0.9
677.29102	0.7
695.31171	0.5
727.34296	1.8
745.34247	100.0
746.34509	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	744.4891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.6
55.01891	1.5
55.05511	10.4
57.03435	6.5
57.07082	1.8
59.04996	2.6
61.02921	3.9
65.03933	1.6
67.05505	83.2
69.03412	2.6
69.07071	10.4
71.04999	14.1
71.60374	1.6
78.40472	1.2
79.05496	22.7
81.03422	3.1
81.07060	33.4
83.04990	2.7
83.08627	9.0
85.02910	4.7
85.06547	2.5
87.01512	1.3
91.05473	17.1
93.06463	2.8
93.07040	34.7
95.04974	5.3
95.08604	24.9
97.02898	2.1
97.06524	4.1
97.10175	2.3
101.91720	1.3
105.07040	9.6
107.08599	15.2
109.10161	54.6
111.08080	3.9
117.07037	3.3
118.25872	1.2
118.58266	1.3
119.08581	15.9
121.10138	13.9
123.11670	2.3
126.18710	1.4
131.08580	5.6
133.10115	5.7
135.11705	12.8
137.09639	6.7
142.82967	1.3
145.10123	5.4
146.61871	1.3
147.11685	4.7
149.13255	2.9
154.11349	1.3
155.10660	1.9
159.11694	3.5
161.13251	2.7
162.24168	1.3
163.11188	2.9
173.11725	7.8
173.13176	3.1
181.12265	1.7
185.13219	1.4
193.12204	4.0
198.47293	1.3
198.62399	1.3
211.13338	3.9
229.14288	1.4
255.15889	3.3
261.22101	4.3
267.15762	2.3
285.16995	3.7
287.18472	15.8
335.25757	29.5
337.27484	4.9
471.34283	2.0
489.35757	100.0
490.35687	4.1
503.37094	2.6
515.37476	15.2
533.38861	1.5
547.39978	90.1
548.40234	4.5
564.61334	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	743.3237
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	1.4
56.96560	1.4
57.03422	0.8
61.02921	1.3
61.39834	0.6
67.05508	3.8
67.46648	0.6
69.03440	1.0
69.07038	0.8
71.60537	1.0
73.02920	0.7
79.05492	1.5
81.03413	3.6
81.07054	2.4
83.04999	0.8
83.08610	1.0
85.02921	2.3
91.05495	2.4
93.07066	2.7
95.04969	1.1
95.08614	2.2
97.02910	2.2
97.06541	1.0
97.10207	0.8
102.29902	0.8
105.07019	1.7
107.04997	0.7
107.08619	1.8
108.64532	0.6
109.10167	3.7
116.98586	0.7
119.08572	0.9
121.10191	1.3
127.03927	1.0
129.48061	0.7
131.00201	0.8
131.08537	0.6
144.08929	0.8
145.10147	1.0
147.08101	0.6
149.01212	1.2
149.09752	0.6
151.56335	0.6
157.10229	0.7
163.11191	1.7
173.11774	1.1
202.61589	0.7
229.14423	0.9
239.09547	1.0
249.11005	1.1
267.09271	2.2
283.08597	2.1
285.10098	3.6
293.05673	0.8
301.09512	0.8
363.11414	0.9
371.26614	0.7
413.17966	2.2
467.19037	2.0
485.17026	2.0
501.16736	1.6
639.19733	1.5
639.29865	22.1
648.21130	0.7
665.31732	1.1
693.27576	2.0
743.32544	100.0
744.33112	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	742.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.1
55.01859	3.1
55.05508	18.3
57.03437	17.7
57.07066	2.3
59.04982	1.4
60.89228	1.0
61.02919	4.5
65.03931	2.0
67.05502	53.6
69.03422	4.7
69.07066	14.4
70.88142	2.5
71.04984	3.6
71.08636	1.3
73.02905	2.1
79.05494	42.6
81.03416	56.4
81.07054	58.5
81.40726	1.0
83.04977	13.9
83.08142	1.7
83.08616	24.0
85.02904	24.8
85.06532	3.0
91.03972	1.3
91.05480	35.3
92.05824	1.0
93.07044	42.1
95.04971	23.9
95.08604	38.3
97.02873	4.9
97.06551	5.4
97.10168	5.2
99.08093	2.0
105.07030	26.0
107.04971	5.4
107.08586	22.0
109.06544	5.2
109.10159	13.1
111.04414	2.0
111.08073	10.0
113.05994	1.8
115.05448	1.1
117.06985	5.0
119.07797	1.6
119.08584	22.8
121.10145	18.3
123.08045	4.2
123.11703	4.2
125.09595	2.4
127.03895	1.3
127.07538	1.1
129.07021	7.2
131.08575	16.4
133.06526	2.2
133.10130	14.6
135.11684	7.0
137.09621	1.6
142.07776	3.1
143.08617	1.4
145.10124	6.5
147.08099	2.6
147.11684	17.9
149.09596	4.4
149.13309	5.2
151.11195	1.8
157.10150	10.5
159.11708	5.3
161.13252	2.8
163.11235	1.4
163.14812	2.2
165.12730	4.3
173.13266	3.5
175.11203	13.2
184.07336	1.3
185.03920	1.1
187.14758	1.5
193.12236	42.3
196.33987	1.1
211.13290	61.4
212.13708	1.4
227.12691	1.8
243.21022	2.1
261.22144	8.7
267.15900	15.9
285.16965	74.9
317.24683	2.1
335.25797	80.9
335.96124	1.1
336.25970	1.7
379.15012	1.1
435.32758	2.5
453.33469	1.5
527.37384	11.8
545.38373	100.0
546.38715	3.9
563.39453	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.2
53.47417	2.9
55.05508	18.9
57.03430	11.6
61.02912	3.1
67.05170	5.7
67.05504	66.4
69.03064	2.6
69.03419	6.6
69.07076	17.2
70.14459	15.7
71.04971	4.2
79.05489	36.3
81.03419	42.8
81.07059	57.9
83.04985	10.8
83.08612	18.9
85.02915	19.4
91.05475	40.1
93.07046	37.7
95.04956	23.8
95.08597	34.8
97.02922	2.9
97.06510	4.5
97.10178	5.4
105.07047	24.2
107.04963	5.6
107.08578	22.3
109.06517	6.9
109.10175	16.7
111.04436	3.5
111.08075	9.4
119.08595	20.4
120.96606	3.9
121.10133	20.5
123.08072	3.9
123.11694	6.3
129.07011	7.3
131.08517	15.6
133.10153	16.9
135.11699	7.6
145.10123	5.5
147.11674	17.8
149.09579	6.1
149.13287	6.3
151.11176	3.8
157.10100	9.2
159.11734	6.2
163.11145	4.5
175.11224	12.7
184.07413	3.8
193.12277	34.3
211.13278	38.7
243.21190	3.3
261.22223	8.0
265.37689	3.2
267.15933	19.1
285.16968	54.0
317.24741	3.1
335.25784	70.7
372.58438	3.1
387.12268	3.4
465.11575	3.0
524.03113	3.8
527.37158	10.5
545.38367	100.0
546.37933	3.8
644.45105	3.1
772.87915	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	742.422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	4.8
55.05455	12.6
55.05743	1.3
56.22998	0.5
57.03381	9.9
57.07056	0.5
59.04958	0.6
61.02893	1.2
65.03876	0.9
67.05508	19.8
67.05832	1.3
69.03429	5.1
69.07009	6.1
70.06537	1.8
70.24716	0.5
71.01296	0.5
71.04993	4.7
73.02890	0.9
77.60964	0.5
79.05495	24.6
79.05926	1.1
81.03421	45.3
81.03874	2.0
81.07058	19.9
82.03688	0.7
83.04992	5.6
83.08624	14.8
85.02897	4.1
85.06478	2.5
86.06036	1.2
86.09672	0.9
87.04398	0.9
91.05481	18.3
93.07047	20.2
93.51316	0.5
95.04970	22.4
95.08607	10.6
97.02897	2.9
97.06534	4.5
97.10172	13.3
99.04374	0.8
103.05435	0.6
105.03378	0.6
105.07036	13.3
107.04958	18.6
107.08602	12.4
109.02864	1.4
109.06529	14.2
109.10141	7.0
111.04402	2.0
111.08077	5.4
113.05937	0.9
117.07027	5.4
117.68941	0.7
119.04879	0.8
119.08575	12.4
120.08016	0.8
120.08794	0.8
121.06507	10.8
121.09348	0.7
121.10138	11.0
123.04351	1.7
123.08083	5.1
123.11673	1.3
125.05923	1.6
125.08786	0.9
125.09624	13.5
127.03923	1.1
128.06239	1.0
129.05446	0.8
129.07007	7.1
131.04860	2.3
131.08571	12.8
133.06465	4.1
133.10120	6.6
135.08041	7.5
135.11714	3.5
137.05914	1.3
137.09557	2.2
139.11192	2.6
141.06950	1.9
142.07703	1.5
143.07005	1.1
143.08456	2.1
145.06496	5.7
145.10100	4.8
147.04314	1.5
147.08043	4.4
147.11691	6.5
149.05928	0.8
149.09613	6.6
151.07513	1.0
151.11092	0.7
153.06926	0.6
153.09122	3.3
153.12758	0.9
155.08423	1.6
157.06404	1.5
157.08990	0.7
157.10143	7.7
159.08026	1.2
159.11621	2.5
161.05943	1.4
161.09538	2.3
163.11183	6.6
165.09065	2.1
165.12695	1.5
166.02911	0.6
167.08455	0.8
167.10645	1.2
169.06462	1.2
169.10046	1.7
171.07980	1.4
171.11606	1.7
173.09596	2.5
173.11827	0.9
173.13132	3.2
175.07495	1.0
175.09801	0.6
175.11171	7.2
177.12662	1.2
181.10023	1.2
181.12184	0.9
183.08026	0.7
183.11580	0.7
185.09554	1.2
185.11673	0.9
185.13266	1.2
187.11133	2.1
189.08913	0.8
189.09421	0.8
189.11244	7.3
189.12709	1.2
191.10585	1.4
191.14278	4.0
193.12244	17.7
195.11693	1.4
197.09644	0.9
197.13254	0.7
199.11127	1.6
199.12961	0.7
199.14761	0.9
201.12708	1.1
202.09763	0.5
203.14311	1.0
205.12193	1.7
209.11581	1.1
211.11359	1.1
211.13246	3.9
213.12666	1.8
215.14253	1.9
217.04967	1.1
217.12202	1.2
219.11786	0.7
219.13806	10.7
221.13292	1.0
223.11147	1.2
223.13202	1.4
225.12729	0.7
227.12605	3.3
227.14671	0.9
229.14238	1.2
231.13766	1.4
233.15404	3.7
235.13184	1.1
237.12727	1.1
241.14304	1.1
245.15501	0.6
249.14806	1.5
255.13782	2.6
257.04382	2.3
259.13510	0.8
259.15372	4.8
261.14807	0.9
267.15918	40.2
268.16190	2.1
273.14679	6.0
275.16370	1.0
283.15387	1.7
285.09897	0.7
285.16937	2.4
287.16287	0.8
289.18225	0.7
293.17468	6.4
299.14789	0.7
301.16391	2.2
321.22290	1.0
339.23325	2.8
349.21585	3.8
357.24182	2.0
362.17569	0.6
367.22693	11.7
368.23291	0.8
385.23758	19.7
403.24774	7.4
433.26059	2.0
441.26312	7.2
451.26889	5.0
459.27429	100.0
460.27798	4.4
461.29083	0.9
477.28494	98.2
478.28720	4.9
491.30234	8.3
494.32333	0.9
495.12927	6.2
495.29489	6.7
496.29358	0.7
501.28674	2.8
509.31891	4.1
513.29041	0.8
519.29785	1.0
527.28339	1.5
567.29553	2.3
580.34149	0.9
585.30457	0.9
621.31763	0.7
722.79865	0.6
742.39819	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01869	6.2
55.05514	17.4
57.03439	19.2
57.07077	3.5
57.77696	2.8
59.04984	4.1
61.02921	5.7
67.05508	51.9
69.07059	12.8
69.46387	22.3
71.04996	5.7
71.08631	3.2
79.05496	38.3
81.03418	14.4
81.07050	52.6
83.01334	9.3
83.04974	11.9
83.08618	16.4
85.02906	6.7
85.06544	3.9
86.09693	11.2
91.05492	23.5
93.07039	49.3
94.80157	3.1
95.04975	9.2
95.08604	33.5
97.02906	3.9
97.06541	4.4
97.10184	4.9
105.07034	15.4
107.04973	7.1
107.08616	26.0
109.06580	5.4
109.10138	19.9
115.07673	3.1
117.07016	9.3
119.08571	14.8
119.68301	3.2
121.06513	3.3
121.10114	20.4
123.08079	10.4
125.00008	9.2
125.09627	3.8
131.08571	9.9
133.10133	9.6
135.11703	16.8
143.08452	3.0
145.10101	22.5
149.13205	7.2
153.12776	3.6
159.11642	3.8
161.09608	3.0
163.11192	20.7
163.14809	5.1
173.13277	4.2
176.23167	2.8
179.13930	3.6
184.07336	46.0
185.07689	14.5
186.07764	5.9
189.11261	3.4
207.58937	3.1
209.11777	7.0
227.12779	10.8
243.07678	2.9
261.22183	13.2
283.15387	95.3
306.27997	4.1
317.24829	4.1
335.25809	100.0
348.69556	3.0
354.30914	3.4
402.44464	3.3
433.31079	4.5
451.31815	4.7
525.35950	6.0
543.36859	82.2
690.45605	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	740.458
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
53.11069	0.6
55.01874	6.1
55.05513	17.5
57.03439	11.5
57.07052	2.5
58.16260	0.7
59.04985	2.5
61.02924	4.9
61.40827	0.6
65.03934	1.3
67.05506	39.1
67.08983	0.7
67.32259	0.6
67.58437	0.7
69.03419	2.4
69.07066	9.0
71.01345	1.2
71.05003	3.7
71.08638	1.0
71.33718	1.7
73.02898	1.8
73.88497	0.8
79.05497	30.7
81.03422	8.7
81.07059	43.3
83.01338	7.3
83.04983	10.2
83.08627	12.2
85.02901	6.5
85.06528	2.1
86.09693	1.3
87.67775	0.6
91.03939	2.1
91.05481	18.8
93.07043	41.8
95.04978	7.6
95.08606	32.2
97.02892	4.1
97.06525	4.7
97.10173	4.2
99.04444	2.7
99.08101	1.0
105.04517	0.7
105.07031	15.7
107.04965	6.4
107.08603	22.5
108.08982	0.7
109.06526	5.8
109.10153	11.5
111.04450	1.7
111.08070	2.5
117.07024	8.7
119.08581	14.2
121.06518	2.7
121.09310	1.2
121.10147	18.6
123.04436	0.7
123.08073	9.2
123.11717	4.4
124.99984	1.2
125.05987	2.0
125.09645	3.3
127.03893	1.0
129.06993	2.0
130.07753	1.0
131.08568	9.1
133.10144	7.0
135.08043	2.0
135.11694	16.9
137.09657	1.4
137.13243	1.1
143.08553	1.2
145.10126	16.8
147.08049	2.1
147.11671	4.8
149.13222	4.3
151.87363	0.6
153.12750	2.5
155.08565	1.2
157.10165	0.8
159.11641	3.9
161.13275	3.3
163.11179	17.9
163.14799	2.8
171.11696	0.8
173.09608	2.4
173.13268	4.1
175.14803	1.7
181.10040	0.7
181.12262	2.8
184.07353	7.3
185.07698	1.6
187.14760	1.5
189.11215	1.9
191.10692	2.3
193.12244	1.2
209.11681	6.2
211.13300	1.5
214.94443	0.7
217.28304	0.7
217.83424	0.7
227.12767	9.3
228.13071	0.7
243.21065	4.0
259.20587	1.1
261.22119	12.0
262.22372	0.9
267.15976	1.7
283.15402	100.0
284.15750	1.5
299.23624	3.6
306.27847	1.3
317.24713	3.0
320.82327	0.9
333.24179	1.8
335.25806	67.1
336.26028	1.5
405.31689	0.7
423.32462	0.8
433.30902	2.1
451.31979	1.9
469.33185	2.5
487.34308	1.1
515.37891	1.1
525.35669	4.4
543.36841	52.5
544.36877	1.8
553.76141	1.0
561.37805	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	740.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.4
55.01868	2.8
55.05513	12.4
57.03439	8.8
57.07056	1.4
61.02909	1.6
61.85835	0.4
64.79279	0.3
65.03929	1.2
67.05506	37.1
69.03417	1.3
69.07069	11.0
69.36655	3.8
71.04997	2.5
71.08637	0.5
73.02910	1.3
77.03912	0.9
79.05495	31.4
80.05844	0.4
81.03432	1.8
81.07059	38.0
83.01331	0.5
83.04638	0.3
83.04993	3.5
83.08623	10.0
85.02903	1.7
85.06517	1.3
91.03970	0.9
91.05480	12.7
93.03399	0.5
93.07047	45.9
94.07362	0.5
95.04971	6.8
95.08609	47.8
96.08932	0.4
97.02870	3.1
97.06545	3.4
97.10167	2.1
99.04462	3.7
99.08073	0.5
103.05463	0.4
105.07032	10.4
107.04962	7.2
107.08595	30.2
108.08922	0.7
109.06544	2.1
109.09457	0.7
109.10157	10.7
111.04432	1.2
111.08096	1.8
115.05385	0.5
117.07016	9.1
119.08584	13.0
120.08941	0.5
121.06525	4.7
121.10149	19.8
123.08065	1.2
123.11697	2.8
125.05998	3.1
125.09621	0.4
130.07773	1.5
131.08594	4.0
133.10136	5.9
135.08125	2.0
135.11697	46.3
136.12025	0.9
137.09662	0.5
137.13249	0.8
139.07538	2.0
139.11169	0.5
143.08575	0.7
145.06465	0.5
145.10124	26.5
146.10464	0.5
147.11668	3.0
149.09616	0.7
149.13255	2.7
153.12747	0.9
155.08569	0.8
159.11679	1.8
161.13283	2.2
163.11185	58.1
163.14854	1.2
164.11539	1.1
173.09619	1.4
173.13304	2.0
175.14880	0.9
177.16371	0.4
179.14294	0.4
181.12239	10.1
187.14812	1.1
191.10645	0.4
209.11684	2.1
227.12791	68.9
228.13171	1.6
243.21114	2.4
261.22153	7.7
283.15405	100.0
284.15759	2.3
306.27896	0.6
317.24899	2.8
335.25803	88.3
336.26114	3.8
365.63712	0.4
375.19522	0.4
410.82123	0.4
525.36523	0.5
543.36829	82.8
544.37219	5.9
561.37433	1.1
620.15741	0.5
740.40424	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.6
55.01872	6.8
55.05510	34.9
57.03151	0.7
57.03437	27.2
57.07060	2.1
59.05001	38.7
61.02930	5.0
65.03936	3.0
67.05504	87.5
69.03113	0.9
69.03432	8.8
69.07064	12.1
70.21442	3.2
71.01360	1.9
71.04646	1.0
71.04996	12.9
73.02908	2.8
73.06548	0.9
74.09701	0.6
79.05492	38.0
80.97926	0.6
81.03417	67.1
81.07055	42.5
81.07438	0.5
82.03767	1.0
83.01370	0.6
83.04985	21.7
83.08620	29.7
85.02902	25.9
85.03426	0.8
85.06542	4.7
86.09736	0.7
87.04468	41.2
88.62162	0.7
91.03951	1.3
91.05479	44.9
93.07044	29.9
95.04970	29.4
95.05480	0.6
95.08606	18.3
97.02897	8.1
97.06528	6.8
97.10168	17.1
99.04455	18.8
99.08091	2.9
101.06011	0.8
103.03947	0.8
103.21773	0.7
105.07028	26.6
107.04955	11.2
107.08591	17.8
109.02856	1.0
109.06507	7.9
109.10152	61.2
110.10519	1.2
111.04451	6.3
111.08085	12.5
113.06010	2.4
115.03933	0.8
115.05460	2.1
117.05508	0.9
117.07016	4.9
119.04951	0.9
119.08580	26.9
121.06554	3.4
121.10141	13.4
123.04411	0.7
123.08046	4.0
123.11681	1.8
125.09621	13.0
127.03910	1.5
127.07486	1.1
127.11243	0.8
127.75873	0.7
128.06277	0.9
129.07001	15.2
129.07913	1.3
131.04938	0.7
131.08572	15.3
133.06490	4.0
133.10129	14.4
133.26854	0.7
135.08038	1.4
135.11676	4.7
137.05972	1.0
137.09596	5.2
142.07788	3.0
143.08540	0.9
143.10672	1.4
145.10109	6.7
147.08044	4.8
147.11684	16.4
149.09604	8.1
153.12711	5.3
155.08580	1.9
155.10701	3.2
157.08791	0.8
157.10132	16.9
157.12122	0.8
158.10359	0.7
159.11717	0.9
161.09628	0.9
163.11177	7.9
165.12788	2.8
171.07935	0.7
173.09634	2.6
173.11732	21.0
173.13161	1.4
175.11182	16.4
181.12216	3.3
183.08043	0.7
189.11253	1.7
191.10611	4.5
193.12247	57.0
199.13272	9.5
209.11671	3.9
211.13292	78.2
212.13582	0.9
217.14374	1.6
223.13252	1.9
227.12813	10.0
229.14349	73.4
230.14670	1.0
241.14322	4.6
247.13242	2.0
249.14917	2.6
255.16052	0.8
257.13626	1.2
263.16650	0.9
265.14401	1.1
267.15918	39.9
283.15442	8.8
284.15680	0.8
285.16959	53.2
286.17346	1.1
301.16782	1.0
313.16495	2.8
315.18024	7.8
333.18939	1.2
355.22757	1.0
383.22186	3.5
391.24765	1.3
401.23297	2.3
409.25879	6.2
421.25858	22.3
422.26315	1.1
427.26901	8.9
439.26904	100.0
440.27322	3.4
457.26068	3.2
475.26895	18.2
493.28055	4.9
511.28439	0.9
525.30750	7.4
543.31891	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	740.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01875	14.0
55.05265	1.4
55.05510	22.9
57.03436	20.9
57.07071	2.2
59.04991	4.4
61.02906	3.6
65.03931	2.3
67.05505	44.7
67.05871	2.1
69.03442	6.6
69.07069	12.2
69.64010	7.1
71.01357	1.8
71.05000	6.8
73.02904	4.3
79.05495	35.6
81.03419	100.0
81.07057	35.3
82.03741	1.5
82.04208	1.5
83.04979	23.2
83.08623	28.5
84.98965	1.0
85.02917	6.1
85.06531	2.3
87.04450	1.8
91.05484	33.5
93.07046	32.3
94.04186	1.0
95.04970	36.8
95.08601	16.4
97.02884	8.8
97.06518	9.7
97.09621	1.3
97.10180	16.3
98.07304	4.8
99.01192	0.9
99.04434	2.8
99.08074	2.4
105.07034	19.7
105.07704	0.7
107.04297	1.2
107.04969	17.0
107.08598	20.4
109.02898	2.3
109.06506	8.5
109.10150	18.4
111.03719	1.1
111.04445	13.9
111.08076	13.7
115.05458	2.2
116.04717	7.5
117.05496	1.8
117.07021	9.4
119.04916	2.3
119.08577	23.3
121.02854	5.4
121.06499	9.9
121.10147	15.9
123.04437	3.0
123.08080	5.5
125.06020	1.6
125.09626	16.4
127.11098	1.0
128.06215	1.3
129.05484	20.2
129.06979	14.4
130.07770	1.4
131.04915	1.7
131.08572	14.8
133.06499	6.1
133.10114	9.6
135.04391	4.8
135.08067	5.3
135.11700	15.2
137.05959	1.2
137.09587	3.9
139.07564	0.9
141.06938	1.6
142.07748	3.4
143.07011	4.4
143.08539	2.0
145.06450	2.3
145.10133	11.8
147.04388	2.8
147.08055	6.9
147.11699	12.6
149.05957	1.3
149.09644	9.1
151.11166	1.0
153.06943	1.1
153.09132	1.4
153.12753	26.0
155.08580	2.1
155.10655	1.6
155.33827	1.2
157.06584	1.3
157.08606	10.3
157.10121	14.9
159.08054	1.1
159.11642	1.6
161.09613	1.6
163.11182	25.3
165.12762	3.4
171.10167	3.7
171.11609	1.7
173.09680	5.4
173.11777	6.2
173.13188	2.1
175.11186	16.6
181.12233	20.6
183.10217	1.3
183.11716	3.3
185.11694	1.6
185.13252	1.2
187.07510	1.3
187.11049	1.1
189.11220	12.9
189.12717	1.5
191.10669	12.5
193.12250	42.6
199.11397	1.2
199.13286	4.8
200.14017	1.6
201.12753	3.8
201.14844	2.6
203.14365	1.4
205.12198	1.8
209.11725	9.9
210.58055	1.0
211.13263	9.1
219.13806	5.4
223.13287	2.3
227.12773	46.9
229.12292	1.2
229.14343	15.5
231.13811	2.7
237.14793	1.1
247.13306	29.6
248.13937	1.3
249.14864	6.9
255.15904	2.8
259.13159	2.0
265.14355	3.1
267.15915	98.6
268.16248	2.6
273.14743	1.3
283.12369	2.0
283.15384	28.3
285.16879	3.1
289.14413	1.7
301.16479	28.7
321.16956	10.0
339.18005	2.8
355.22821	1.4
365.21094	3.2
383.22153	8.5
401.23239	3.8
409.25650	1.6
419.24014	1.3
421.25629	3.4
439.26862	2.3
457.25836	5.8
458.26465	2.2
459.27228	2.3
475.26935	38.3
476.27261	3.3
493.27948	36.3
507.29205	1.3
525.30463	4.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.6
55.01876	9.7
55.05510	12.5
56.96562	1.0
57.03436	16.6
61.02927	1.9
65.03922	1.5
67.05505	40.7
69.03434	4.6
69.07066	9.8
70.04726	1.0
70.06592	1.8
70.17679	1.8
70.18031	5.0
71.01338	0.9
71.04975	6.5
71.19204	0.9
73.02918	2.4
79.05491	35.1
81.03419	69.6
81.07056	33.8
83.04984	19.3
83.08623	21.5
85.02908	8.5
85.06535	4.1
86.09682	1.2
88.82714	0.9
91.03989	1.1
91.05482	29.9
93.07040	34.0
95.01302	2.3
95.04971	34.5
95.08606	16.5
97.02885	5.3
97.06528	11.2
97.10175	6.4
99.04458	4.0
99.08083	2.0
102.26550	1.0
103.05449	1.4
105.07034	19.2
107.04957	27.6
107.08596	18.0
109.02861	3.9
109.06528	7.6
109.10162	11.0
111.04443	24.2
111.08091	12.0
113.06051	1.5
115.05455	1.1
117.07012	11.8
119.04958	1.1
119.08578	20.9
121.06516	7.7
121.10144	28.8
122.09676	2.0
123.04421	3.7
123.08063	4.1
125.05994	3.6
125.09646	5.1
127.03856	1.8
129.05536	2.0
129.07010	12.9
131.04941	3.4
131.08565	16.9
133.06491	4.4
133.10132	8.2
135.04382	2.1
135.08043	4.1
135.11700	26.8
137.05988	2.1
137.09596	4.7
143.08578	2.5
145.06476	8.0
145.10121	30.1
147.08037	7.4
147.11687	9.5
149.05983	1.8
149.09639	11.5
151.11188	1.5
153.01826	1.5
153.06993	1.1
153.12721	11.7
155.08546	7.5
157.10150	9.3
159.08031	2.3
159.11703	1.4
161.05972	4.4
161.09628	3.0
163.11189	41.8
165.12770	2.1
171.07985	1.2
173.05907	1.1
173.09619	23.1
175.11166	9.4
181.12228	18.0
184.07355	1.1
185.13303	2.2
187.07608	1.3
189.09207	1.2
189.11244	2.1
191.10658	18.7
193.10492	0.9
193.12245	25.6
199.13306	1.2
203.14278	1.4
205.12247	1.5
209.11668	7.9
209.13382	0.9
211.11421	2.1
211.13303	6.3
213.05531	1.0
213.12741	1.5
219.13803	1.7
223.13319	2.0
227.12756	15.6
229.14336	3.4
231.13771	1.8
241.14374	2.7
243.13835	1.4
249.14795	1.7
251.36755	1.0
265.14355	33.3
267.15918	81.3
268.16180	1.9
271.13400	2.0
273.14856	1.9
283.15402	70.4
284.15677	1.5
285.16977	2.1
287.05527	1.7
289.14664	1.8
289.17703	1.5
295.22739	1.3
295.32138	1.1
297.03934	1.2
299.14807	6.1
301.16467	73.0
302.16843	1.9
309.16751	1.5
337.21451	1.3
355.22766	4.3
365.21161	2.8
381.23065	1.2
383.22412	6.5
401.23166	4.6
419.24420	2.3
421.25800	1.4
439.24677	1.2
447.27454	6.8
457.25916	22.5
475.26932	98.8
476.27100	3.7
493.27951	100.0
494.28244	1.5
511.28619	2.1
517.27930	3.3
525.30682	1.7
535.28931	1.8
601.29791	3.3
619.30518	1.4
740.42004	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	738.3904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43088	0.9
53.00309	1.7
53.03946	3.7
55.01866	5.1
55.05512	16.9
56.37460	0.9
57.03434	14.9
59.04987	3.3
61.02921	1.1
65.03956	1.1
67.05165	1.6
67.05504	19.2
67.14068	0.9
69.03425	4.2
69.07080	6.3
69.27840	12.1
71.01360	1.2
71.04987	3.1
73.02892	2.1
77.20980	0.9
79.05497	19.7
81.00961	0.9
81.03416	69.1
81.07053	23.9
83.04979	7.3
83.08617	23.5
85.02911	4.5
85.06547	2.9
91.05481	29.0
93.07041	20.6
95.04964	23.1
95.08609	7.6
97.02890	9.4
97.06529	4.7
97.10149	6.1
98.21511	2.1
99.00811	12.7
99.04459	1.3
99.08128	1.5
103.05481	1.2
105.07031	19.7
107.04953	15.6
107.08592	11.1
109.02876	10.9
109.06510	7.0
109.07143	1.0
109.10138	6.7
111.04457	5.0
111.08076	11.7
114.34508	1.0
115.03918	2.7
115.05460	2.2
117.06989	6.3
119.04929	1.6
119.08588	17.3
121.06524	11.0
121.10149	6.1
123.04424	2.2
123.08080	3.7
123.11706	3.3
125.09641	5.3
127.03920	3.7
128.06203	2.0
129.07002	7.6
131.08566	9.0
133.06488	3.5
133.10127	32.6
135.08063	3.3
135.11659	2.3
137.05954	1.3
137.09634	3.0
139.07547	3.1
142.07822	1.3
143.08568	6.0
145.06531	1.5
145.10130	5.1
147.04408	1.3
147.08057	5.8
147.11685	6.7
149.09595	5.3
151.11183	9.3
153.09105	1.9
157.10115	8.8
161.09616	18.8
163.11230	4.4
171.08054	3.7
173.09486	1.1
175.11186	9.6
179.10660	9.7
189.09125	12.3
189.11185	3.1
191.10817	1.2
191.14311	1.4
193.12238	22.9
197.11749	3.6
207.10170	3.5
209.11717	2.6
211.13322	3.4
219.13791	9.4
225.11189	11.6
227.10773	0.9
227.12662	4.6
241.14262	1.5
249.14874	2.0
267.15918	93.5
268.16345	1.3
281.13751	5.8
283.15399	8.5
285.10172	1.7
285.16977	3.0
298.09698	1.1
299.14883	72.1
381.20435	2.9
389.23148	1.0
399.21820	2.3
417.22433	1.7
445.25894	7.7
459.27615	2.7
463.27097	7.8
473.25296	32.9
477.28680	2.4
491.26407	100.0
492.26813	4.6
509.27411	7.6
517.03302	1.2
523.29474	2.3
533.27289	1.7
635.30273	1.2
653.31793	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	738.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.5
55.01882	5.5
55.05507	21.7
57.03439	13.7
57.07069	2.2
59.05001	26.1
61.02916	4.7
65.03915	1.3
67.05505	56.6
68.05843	1.4
69.03423	4.7
69.07062	7.8
70.57129	3.7
71.04997	6.5
73.02901	2.9
79.05489	25.0
81.02970	2.3
81.03415	20.2
81.07056	27.7
83.01337	5.0
83.04990	10.1
83.08617	16.4
85.02895	9.1
85.06531	2.0
87.04465	36.0
88.79321	1.2
88.79951	1.1
91.03940	1.2
91.05474	16.4
93.07039	25.4
95.04964	12.7
95.08611	14.5
95.45181	1.2
97.02886	5.8
97.06511	7.3
97.10177	9.5
99.04443	11.9
103.51254	1.1
105.07025	10.4
107.04965	10.3
107.08592	19.5
109.02866	1.4
109.06547	7.2
109.10157	43.4
111.04444	5.3
111.08083	3.8
115.05461	2.0
117.07013	7.8
119.08560	13.1
121.06493	3.7
121.10146	8.9
123.04493	1.4
123.08082	5.4
125.06007	1.8
125.09641	7.5
125.10416	1.3
127.03912	1.9
129.06981	4.0
131.08540	4.3
133.10135	4.3
135.08069	2.2
135.11681	16.9
137.09628	4.5
139.07587	1.5
145.06433	2.0
145.10132	14.2
147.08099	1.9
149.09674	2.5
153.12750	3.8
155.08501	1.3
155.10654	2.6
157.10107	1.7
163.11183	28.1
164.11354	1.3
173.09641	4.0
173.11749	15.2
175.11171	2.2
181.12187	5.7
189.11266	1.7
191.10721	3.6
193.12253	5.4
196.96629	1.2
199.13297	8.0
209.11679	9.8
211.13255	3.0
227.12776	30.0
228.13083	1.7
229.14351	60.8
241.14365	4.7
257.13730	2.0
267.15915	12.2
283.15393	72.8
284.15738	1.9
285.16833	1.8
304.26682	1.4
306.27972	1.7
310.13126	1.4
311.14807	4.4
315.17963	8.5
407.23950	2.2
425.25461	7.2
437.25342	100.0
438.25525	5.1
459.27213	6.0
477.28552	5.4
491.26471	7.9
495.28210	1.4
509.27338	4.3
523.28876	6.1
541.30035	4.9
576.36047	1.4
688.69122	1.3
694.46143	1.3
715.09064	1.4
715.21558	1.3
738.37805	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	738.3892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01867	7.7
55.05510	22.8
56.77260	0.6
57.03436	15.6
57.07069	0.7
59.05001	35.6
61.02922	3.9
65.03938	1.6
67.05504	55.3
68.05811	0.9
69.03432	5.1
69.07065	6.4
70.88876	1.4
70.89243	0.9
71.01347	1.3
71.04992	8.7
73.02894	1.3
79.05492	24.9
81.03414	17.7
81.06577	1.4
81.07054	27.1
82.07364	0.8
83.01339	6.4
83.04980	10.8
83.08617	17.0
85.02908	9.1
85.06526	2.8
86.09684	0.8
87.04466	51.4
91.03941	1.6
91.05478	15.6
92.05779	0.8
93.07043	24.8
95.04966	10.2
95.08600	10.7
97.02891	6.2
97.06535	5.6
97.10165	11.3
99.04456	14.2
99.08072	1.5
99.91622	0.7
103.05418	1.2
105.07024	11.2
106.07358	0.7
107.04948	8.5
107.07870	1.0
107.08590	16.2
109.02865	1.3
109.06509	7.8
109.10153	43.2
110.10486	1.4
111.04452	4.9
111.08076	3.9
113.06000	1.0
115.03908	0.9
117.07006	6.3
119.08569	13.3
121.06502	4.0
121.10131	7.3
123.04447	1.3
123.08058	7.6
125.05997	1.8
125.09628	7.5
127.03927	2.0
129.05411	1.0
129.06976	2.3
131.04985	0.6
131.08569	5.5
133.10129	4.0
135.08058	3.1
135.11690	9.7
137.09622	4.3
143.08531	1.3
143.10657	1.3
145.06540	0.9
145.10129	13.8
146.10419	0.8
147.08041	2.9
147.11694	1.4
149.09608	3.0
153.12703	2.6
155.08597	1.0
155.10696	2.5
157.10139	1.6
161.09645	0.9
163.11171	18.8
173.09610	3.7
173.11731	17.7
173.13170	1.3
175.11160	1.2
181.12276	3.9
188.48062	0.6
189.11183	1.2
191.10657	4.3
193.12294	2.8
199.13336	7.1
209.11705	8.5
209.13426	1.0
211.13266	2.7
223.13307	1.6
227.12790	9.3
229.14343	50.8
230.14659	1.3
241.14409	2.6
247.19431	0.7
257.13846	1.3
267.15927	6.8
268.16281	1.2
274.18713	1.1
276.20392	1.0
283.15393	69.6
284.15701	2.3
285.17072	1.2
291.19608	2.4
292.19855	1.4
311.14813	4.0
315.18112	5.6
407.24231	3.1
425.25400	12.6
426.25601	1.1
437.25354	100.0
438.25531	5.5
443.76782	0.8
453.24860	1.2
459.27493	2.4
475.27032	1.2
475.48618	0.8
477.28394	1.3
491.26639	1.8
509.27487	1.4
523.29022	3.0
541.30072	3.1
557.34814	1.2
558.34894	3.2
576.36011	2.0
577.24243	1.8
625.81787	0.9
738.40173	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	737.4469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.2
55.01868	7.1
55.05515	30.3
55.47323	1.7
57.03451	9.9
57.07068	2.9
59.04993	4.3
61.02922	16.8
63.51724	1.7
65.03936	3.3
67.05506	67.0
69.03439	16.0
69.07070	20.1
70.95787	1.6
71.04999	15.0
71.61753	2.5
73.02920	8.8
79.05493	45.2
79.05961	2.2
81.03429	24.2
81.07063	55.0
83.04991	9.8
83.08621	22.0
83.12153	1.8
85.02908	22.6
85.06538	4.6
91.03974	9.4
91.05482	46.0
93.07049	48.1
95.04973	16.5
95.08606	38.3
97.02908	18.8
97.06550	10.2
97.10167	22.8
99.04475	3.5
99.08091	6.0
103.03951	2.3
103.05453	1.8
105.07031	39.5
107.04958	8.9
107.08613	28.7
109.02888	4.2
109.06516	10.2
109.10160	24.9
111.04464	5.5
111.08096	5.6
113.06026	2.3
115.05444	2.6
117.07030	25.5
119.08587	31.5
121.06530	5.5
121.10135	19.0
123.08073	5.2
123.11702	5.1
125.09636	14.7
127.03936	6.4
128.06248	5.9
129.06982	16.4
131.07626	1.5
131.08568	32.8
133.06526	4.2
133.10135	24.9
135.08093	7.1
135.11713	11.8
137.09618	6.6
141.07018	4.8
141.29591	2.1
142.07813	3.8
143.08572	18.3
144.09317	3.1
145.06485	4.6
145.10133	30.2
147.08072	3.2
147.11653	11.4
149.09628	8.9
151.11244	2.7
153.07079	2.6
153.12778	2.4
154.07742	2.9
155.08560	15.1
157.10124	19.4
159.08092	3.9
159.11702	20.8
161.09637	6.2
161.13232	5.6
163.11227	5.5
165.07114	2.0
165.12854	2.6
167.08597	3.8
169.10144	15.5
171.11684	18.2
173.09720	4.4
173.11862	3.7
173.13206	10.9
175.11264	7.5
175.14803	4.3
177.12788	3.2
179.08632	2.5
181.10179	6.1
183.11687	11.3
185.13286	10.7
187.11266	5.6
187.13252	2.3
187.14847	6.4
189.11234	6.5
189.12767	3.9
193.10225	4.2
193.12289	2.3
195.11737	7.7
197.13281	10.4
199.11276	2.4
199.14891	5.0
201.12784	2.9
207.11801	4.8
208.12506	2.1
209.11617	2.4
209.13345	7.5
211.13156	4.4
211.14925	4.8
215.14287	2.3
221.13329	4.1
223.14816	4.1
227.12697	16.7
235.14911	2.6
241.19269	2.0
257.18985	2.9
259.20663	2.7
267.15945	6.1
273.18484	5.9
275.20142	6.3
283.20590	5.7
291.19333	9.2
297.22208	4.8
299.23727	6.4
301.21582	3.6
325.21609	3.0
327.23431	2.4
341.24567	2.2
347.22345	2.3
349.23871	2.6
361.23730	2.7
365.23337	3.6
371.25946	3.1
415.30072	2.6
421.25989	4.2
427.19479	3.2
429.20328	2.2
431.28955	2.1
433.30951	16.6
443.28012	3.5
451.32190	10.9
469.33102	6.4
489.33026	2.5
499.34183	2.9
507.34848	11.2
515.37378	2.5
517.35529	22.8
525.35785	76.0
526.36304	4.5
539.37238	3.6
543.36835	100.0
544.36841	5.3
557.39148	21.1
575.39655	36.5
576.39398	2.4
705.41010	3.2
719.38849	5.1
737.43561	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22958	1.3
53.03941	10.1
55.01872	16.3
55.05260	2.9
55.05512	37.0
57.03440	19.2
61.02916	4.2
65.03935	5.2
67.05505	62.2
69.03435	23.6
69.07070	21.1
70.67930	1.5
71.01355	1.6
71.04984	13.3
73.02915	3.7
74.44782	1.2
79.05492	58.1
80.66150	1.3
81.03416	93.2
81.07056	100.0
82.03748	2.7
82.07379	2.2
83.01325	2.3
83.04979	40.1
83.08622	35.3
84.08950	1.7
85.02897	24.3
85.06542	4.7
87.04468	2.7
91.05481	50.0
93.07041	41.5
94.57082	1.4
95.04969	45.1
95.05556	3.1
95.08601	26.7
97.02907	24.3
97.06540	15.3
97.10165	18.9
99.04481	11.1
99.08147	3.2
105.07027	38.7
107.04957	18.5
107.08590	30.9
107.09293	2.2
109.02891	14.3
109.06522	22.8
109.10152	19.2
111.04445	23.1
111.08072	14.7
113.06010	4.6
115.05448	3.5
117.07019	15.0
119.04893	2.3
119.07780	2.9
119.08583	35.8
121.06521	12.3
121.10144	20.0
123.04424	2.6
123.08073	23.2
123.11657	4.3
125.06007	2.5
125.09634	16.5
127.03930	10.9
127.07578	1.5
128.06160	1.6
129.05470	6.3
129.06998	15.7
131.04922	1.8
131.08577	24.8
133.06487	6.4
133.10135	15.7
135.08084	12.0
135.11690	15.9
137.09584	7.6
139.11136	2.2
141.06920	2.7
142.07756	3.1
143.08551	10.2
145.06497	5.0
145.10133	21.0
147.04388	2.5
147.08054	15.0
147.11676	23.2
149.09613	13.1
149.13281	2.4
151.11137	1.8
153.09084	2.6
153.12744	10.8
155.08591	6.0
157.10098	17.1
159.08057	5.2
159.11729	6.9
161.06012	2.7
161.09651	10.2
163.11182	20.6
165.09183	5.2
165.12781	5.3
165.19385	1.5
169.10123	2.3
171.11703	5.1
173.04279	1.7
173.05804	2.1
173.09602	8.4
173.13255	2.2
175.11153	17.9
177.12712	3.1
179.10837	1.6
181.10046	2.4
181.12224	11.3
185.09633	2.1
185.13225	1.9
187.07605	2.0
187.11124	3.8
189.09447	1.9
189.11223	14.6
189.12729	2.8
191.10667	9.7
193.12245	39.6
195.11752	1.9
198.39037	1.4
199.11266	2.3
201.12791	2.8
203.10713	1.6
205.12267	2.9
209.11624	3.2
211.13290	53.2
212.13666	2.3
213.12851	1.5
215.10884	2.2
217.15958	2.2
219.13921	1.8
223.13322	5.5
227.12769	20.1
229.12259	1.7
229.14377	4.6
237.16397	1.9
245.19016	4.4
249.14844	5.0
255.17361	2.1
265.14230	2.2
267.15924	17.5
268.16272	2.7
273.15454	2.4
273.18515	34.5
275.20084	3.2
283.15494	10.9
285.10028	2.1
285.16968	21.0
291.19537	74.6
301.16916	2.2
309.20547	7.3
313.21436	2.6
318.39706	1.5
329.21033	2.3
332.74213	1.8
337.16437	2.4
347.22272	10.7
355.17584	6.4
365.23233	35.0
381.20288	2.6
383.24075	1.7
393.19165	2.9
399.21808	3.7
411.20029	6.3
417.22708	2.0
429.21252	18.9
465.30005	2.6
483.31131	4.0
490.28931	2.7
491.25775	2.4
493.16562	2.0
493.27823	5.8
494.28479	11.3
539.33649	6.5
557.34747	30.9
575.35699	31.2
581.28693	2.6
593.36633	5.6
623.34900	1.8
671.38129	2.1
683.37732	4.1
701.39136	9.2
719.39874	28.4
720.39819	1.8
737.41284	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	737.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.6
55.01875	10.3
55.05514	19.3
57.03442	15.5
57.07067	1.7
59.05008	2.9
61.02927	3.9
63.18593	1.6
65.03935	3.8
67.05170	3.2
67.05508	44.7
69.03442	12.8
69.07079	13.3
69.31623	18.4
71.04977	6.9
73.02924	3.3
79.05491	44.6
80.09184	1.5
81.03420	57.2
81.07059	100.0
83.04990	18.2
83.08627	19.0
85.02912	12.0
85.06557	2.7
91.05483	35.7
93.07043	36.1
95.04970	30.8
95.08612	23.6
97.02876	12.9
97.06538	6.9
97.10166	10.6
98.20798	4.6
99.04435	4.4
105.07021	26.9
105.89713	1.8
107.04969	11.1
107.08593	20.2
108.08945	2.0
109.02879	5.9
109.06522	50.6
109.10171	17.9
111.04427	12.8
111.08089	7.7
113.05991	3.8
115.05435	3.8
117.07016	17.0
119.04972	2.4
119.07784	3.3
119.08582	33.6
121.06496	9.3
121.10161	16.8
123.04409	2.7
123.08080	7.6
123.11713	3.0
125.05991	2.6
125.09663	9.3
127.03911	6.4
128.06155	2.4
129.05524	2.2
129.06990	12.1
131.08572	18.4
133.06482	4.9
133.10112	12.5
135.08060	10.4
135.11691	5.7
137.05957	2.6
137.09654	3.4
142.07851	1.7
143.08578	8.2
145.02859	1.6
145.06436	2.9
145.10139	17.6
146.07103	1.8
147.08037	8.8
147.11684	15.1
149.06017	2.1
149.09625	9.4
151.11148	1.9
153.12671	2.6
155.08571	3.3
157.06483	1.9
157.10161	12.0
159.11716	6.7
161.09625	9.5
161.13257	3.3
163.11235	13.5
163.33940	1.6
165.09169	4.3
165.12753	2.1
167.08572	3.0
169.10097	4.1
171.11719	5.1
173.04430	4.7
173.09621	3.1
173.11841	2.1
173.13274	2.6
175.11197	8.9
181.10036	2.5
181.12245	4.1
183.06424	1.6
185.13257	3.2
189.11246	3.8
189.12706	2.6
191.10660	3.9
193.12241	16.4
201.12920	1.6
209.11684	4.2
211.13290	18.9
217.15953	3.2
227.12766	7.2
229.14307	6.3
230.14642	2.3
249.15018	2.9
255.17410	2.6
267.15909	22.8
271.06052	12.4
273.18481	25.9
275.20105	9.9
283.15369	7.3
285.16925	8.7
291.19556	78.6
292.19754	2.2
309.20490	2.2
347.22287	11.8
349.23901	4.2
365.23303	18.9
411.20120	3.7
429.21411	14.0
435.27255	2.6
436.27515	5.1
465.30063	2.4
477.27771	2.0
483.30463	1.9
517.31702	1.9
529.34851	2.3
539.33704	13.1
557.34766	43.8
575.35699	16.5
653.97021	2.1
701.38287	5.8
707.63611	1.8
719.29871	2.0
719.40131	18.8
737.39081	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	737.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80079	3.7
53.03942	15.2
55.01881	29.0
55.05261	4.9
55.05513	66.7
57.03434	27.6
59.05015	4.3
61.02920	13.7
65.03934	7.7
67.05507	100.0
69.03429	38.7
69.06731	4.0
69.07072	40.2
69.64622	8.3
69.65042	17.3
71.01370	7.0
71.04990	12.9
73.02919	6.6
73.05666	3.6
79.05493	88.6
81.03421	79.4
81.07060	94.2
83.01330	8.2
83.04988	36.4
83.08614	37.9
85.02912	32.9
85.06551	6.6
87.43216	3.2
90.62946	4.0
91.03957	8.1
91.05485	83.7
91.75230	3.3
93.07041	85.6
95.01375	3.2
95.04973	39.2
95.08608	48.7
97.02896	23.7
97.06539	28.3
97.10172	32.9
99.04462	6.1
99.08102	5.1
105.07042	68.9
107.04955	34.5
107.08591	62.4
109.02886	15.8
109.06528	21.4
109.10175	35.5
111.04444	11.6
111.08093	14.9
115.03871	3.6
115.05501	5.7
117.07044	29.3
119.04983	4.7
119.08592	59.8
120.08939	3.2
121.06478	18.6
121.10174	31.8
123.04427	6.1
123.08025	17.1
123.11716	8.3
125.09634	34.4
127.03918	14.7
128.06218	5.7
129.05534	5.1
129.07024	19.1
131.08566	42.4
133.06535	5.5
133.10120	34.6
135.08047	15.8
135.11710	20.0
137.09625	9.6
143.08560	16.2
145.10117	49.0
147.08037	12.9
147.11687	28.4
149.09604	24.3
149.13248	6.1
151.11217	7.6
153.12785	4.8
155.08582	7.5
157.10139	16.1
159.08093	4.9
159.11699	11.9
161.09619	10.7
161.13327	5.4
163.11176	31.8
165.12741	4.9
169.10135	3.7
171.07953	4.1
171.11678	7.5
173.04492	4.9
173.09636	9.5
173.11810	6.4
173.13199	4.7
175.11215	12.7
177.12779	9.7
181.12273	7.8
183.11630	8.8
185.13269	4.4
187.11174	7.8
189.11272	16.5
191.10692	7.8
193.12234	24.4
198.01233	3.7
205.12289	4.4
209.11765	9.7
211.11586	3.9
211.13266	22.8
213.12852	4.3
223.13342	4.9
227.12773	59.6
229.14276	8.1
229.19591	4.0
232.12283	3.7
247.20683	3.9
257.19083	11.3
265.38989	3.8
267.15918	20.0
273.18610	14.7
275.20074	70.3
283.15408	81.8
285.16959	9.5
291.19510	39.6
293.21054	8.1
299.20026	5.6
313.21509	5.6
331.22955	4.1
347.22211	5.2
349.23843	43.4
365.23212	18.5
417.22678	4.5
429.21219	5.7
453.24918	9.7
461.29404	6.8
465.29391	4.5
477.28479	12.9
483.30801	3.9
493.28479	4.2
501.03168	4.1
528.37708	4.6
539.33484	13.2
551.95624	4.0
557.34723	85.5
558.35095	5.6
575.35718	53.3
599.35889	5.0
701.38599	4.6
719.40021	26.6
737.41089	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	735.3958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	11.0
55.01872	18.5
55.05510	48.2
57.03440	32.7
57.87532	4.6
59.04991	6.9
63.07669	4.5
65.19627	4.3
67.05505	80.2
69.03436	36.4
69.07066	26.6
70.07340	4.1
70.73524	16.5
71.05000	20.7
73.02912	4.7
79.05494	62.3
81.03419	100.0
81.07059	76.9
83.04997	31.3
83.08628	24.0
84.08972	4.4
85.02918	20.1
85.06525	5.9
91.05490	65.6
93.07043	56.5
95.04967	44.7
95.08601	26.2
96.08976	4.7
97.02885	25.9
97.06533	19.6
97.10187	18.4
99.04465	7.1
99.08100	6.8
105.07033	53.0
107.04946	26.7
107.08607	36.2
109.02882	19.7
109.06496	24.2
109.10163	22.9
111.04448	20.5
111.08102	7.8
115.07573	6.2
117.07040	24.7
119.08568	40.6
121.06541	15.9
121.10151	20.7
121.55686	4.2
123.08112	14.7
124.14562	4.3
125.05915	5.8
125.09650	13.8
127.03933	21.1
129.07001	23.7
131.04938	6.3
131.08597	30.7
133.06419	5.2
133.10094	20.8
135.08072	18.5
135.11691	15.2
137.09677	6.2
141.07005	4.7
142.07736	5.2
143.08582	19.0
145.06512	9.4
145.10135	28.3
147.08031	15.3
147.11681	16.9
149.05894	4.9
149.09601	13.7
150.00352	4.9
153.12752	10.2
155.08571	10.5
157.10124	13.2
159.08084	7.0
159.11682	8.8
161.09644	14.2
163.11186	22.5
163.97046	4.7
169.10167	7.5
171.08136	5.7
171.11693	10.3
173.04401	7.1
173.09636	11.7
173.13345	5.1
175.11076	9.4
178.21596	4.6
187.11234	5.6
189.11308	7.6
191.10674	12.1
193.12198	26.3
201.07594	5.1
209.11725	7.3
211.11409	6.3
211.13197	25.2
227.12799	24.2
229.14320	5.3
255.17567	5.4
257.67484	4.5
267.16119	10.3
273.18463	26.5
283.15433	44.2
284.16077	5.6
289.17889	15.2
291.19540	25.2
301.17691	4.2
307.19113	7.1
329.21155	5.4
347.22137	11.8
353.16138	5.5
363.21451	5.3
365.23221	9.2
381.23062	5.0
427.19766	10.7
428.19623	7.6
491.26111	9.4
492.26767	12.8
555.33221	26.3
573.34375	35.4
591.35022	9.9
636.30634	10.9
699.37207	7.8
717.38306	26.4
735.39484	50.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01870	0.5
55.05505	0.6
56.12265	0.2
57.03439	1.4
59.05007	0.4
61.02923	3.0
67.05502	2.0
69.03426	2.4
69.07070	0.8
71.01341	0.2
71.04935	0.8
73.02927	2.1
79.05502	2.1
83.04991	0.6
83.08636	1.5
85.02904	4.6
85.06541	0.4
87.04465	0.3
91.03973	2.1
91.05488	2.8
92.19125	0.2
92.99747	0.2
93.07050	1.8
95.04980	1.7
95.08601	1.3
97.02888	3.3
97.06542	0.5
99.04462	0.7
99.08122	0.3
99.67894	0.2
101.02399	1.2
103.03946	0.5
105.07024	1.5
105.79634	0.2
107.04945	0.6
107.08587	1.0
109.02888	0.7
109.06512	0.4
109.10190	0.3
111.04451	0.2
111.08109	0.5
115.03946	0.3
119.08605	1.4
121.10133	1.4
123.08053	0.4
123.11701	0.3
127.03910	1.1
129.07021	0.8
131.08583	1.5
133.10118	1.4
145.05002	0.2
147.11664	1.6
149.09625	1.6
157.10161	1.3
165.12717	0.3
175.11253	1.0
185.04222	0.5
193.12231	2.5
197.15417	0.3
203.05280	0.3
211.13347	1.0
225.14885	0.4
233.11554	0.3
241.06892	0.2
243.08427	2.1
249.14944	0.3
251.12677	1.0
253.14110	0.2
267.15939	0.9
269.12497	0.4
271.08389	0.2
283.06369	0.3
283.15161	3.5
285.10287	0.3
285.17004	0.4
294.71167	0.2
307.15372	0.5
327.11996	0.3
339.17859	0.8
375.17084	0.3
469.20499	9.3
501.23068	10.4
567.31732	0.7
729.36652	100.0
730.37006	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	727.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.7
55.01864	0.6
55.05511	1.7
56.96550	0.3
57.03444	2.1
59.04992	0.9
61.02927	4.5
61.22230	0.3
64.44158	0.3
67.05506	3.1
69.03424	2.8
69.07053	0.9
70.78082	0.9
71.01353	0.6
71.05000	1.6
71.33179	0.3
73.02918	2.7
73.04313	0.2
79.05492	2.7
81.03416	4.8
81.07063	2.6
83.01356	0.4
83.04984	1.4
83.08613	1.5
85.02903	4.8
86.53083	0.2
87.04475	0.5
91.03955	2.8
91.05479	3.2
93.07037	3.0
95.04969	2.1
95.08604	1.3
96.56770	0.3
97.02890	4.1
97.06544	1.3
97.10139	0.3
99.04457	1.0
101.02367	1.7
103.03993	0.3
105.07055	1.6
107.04952	0.9
107.08583	1.9
109.02896	0.8
109.06528	1.1
109.10166	0.9
111.04473	0.6
111.08105	0.5
115.03950	0.4
117.07015	0.8
119.08581	1.5
119.42506	0.3
121.06532	0.7
121.07404	0.3
121.10130	1.9
123.08078	0.9
125.09607	0.3
127.03916	1.3
129.07013	1.0
131.08592	1.4
133.10147	1.2
135.08064	0.4
135.11720	1.1
138.39896	0.3
145.05003	0.4
145.10106	1.6
147.08105	0.4
147.11691	1.4
149.09633	1.9
157.10168	0.8
158.89108	0.2
163.11177	2.0
165.12764	0.4
173.09610	0.3
175.11214	0.8
181.12248	0.5
183.06453	0.3
185.04349	0.6
191.10643	0.3
193.12283	1.8
203.05472	0.5
211.13426	0.3
222.03391	0.3
225.14746	0.7
233.11661	0.3
243.08382	2.6
249.11020	0.5
253.14172	0.6
267.15961	1.2
269.12497	0.3
282.02179	0.3
283.15219	4.8
285.10181	0.4
285.17239	0.4
339.17944	1.0
399.02432	0.3
447.27164	0.4
448.28140	0.8
467.18912	9.3
467.25305	0.5
469.20377	0.9
501.15884	0.7
501.23120	10.7
502.23868	0.4
727.35095	100.0
728.35547	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	724.411
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	3.8
55.05511	14.7
56.96527	0.9
57.03435	16.0
59.04998	1.6
61.02918	2.1
65.03938	0.8
67.05507	28.2
68.61047	0.6
69.03425	4.9
69.07063	6.7
69.60888	6.5
71.01355	1.2
71.04994	4.6
73.02915	0.9
75.45647	0.9
77.03928	0.9
79.05058	1.5
79.05499	22.7
81.03419	83.9
81.06575	1.7
81.07056	26.6
82.03765	1.1
83.01350	0.9
83.04990	11.2
83.08133	1.7
83.08619	24.2
85.02908	14.2
85.06545	2.5
91.03983	1.3
91.04903	0.8
91.05481	24.0
93.07045	18.1
95.04969	31.9
95.08613	8.8
97.02900	5.6
97.06519	4.9
97.10183	8.6
98.21432	1.0
99.04475	1.0
99.08096	1.3
105.07031	18.7
107.04964	12.9
107.08595	12.0
109.06527	6.1
109.10169	10.6
111.04413	3.6
111.08087	10.0
113.06009	1.7
115.05457	2.2
117.07001	4.2
119.08585	19.0
121.06486	6.6
121.10148	10.4
123.04420	0.8
123.08099	3.8
123.11712	2.9
125.06027	0.9
125.09644	7.1
128.33553	0.9
129.07010	13.0
131.04993	1.3
131.08569	12.7
133.06511	3.8
133.10143	11.2
135.08031	3.3
135.11667	3.5
137.09615	2.3
141.06963	1.3
142.07796	1.9
143.08548	2.1
145.06490	4.6
145.10136	6.6
147.08076	5.5
147.11691	15.0
148.12025	0.8
149.09621	7.0
151.11209	2.2
153.09105	1.9
153.12778	1.2
153.69679	0.7
155.08574	2.1
157.10121	13.6
159.11671	1.0
161.05936	0.8
161.09555	1.6
163.11194	5.8
165.09109	1.6
165.12764	3.3
169.10181	1.0
171.08026	1.3
171.11685	1.2
173.09633	2.2
173.11725	2.1
173.13145	1.1
175.11206	13.3
176.11475	0.7
177.12686	0.9
181.12296	1.0
185.09576	0.9
185.13287	0.9
189.09489	0.8
189.11243	2.7
189.12767	1.3
191.10600	1.2
193.12244	39.3
194.12550	1.2
195.11752	1.7
197.13362	1.0
199.11388	0.8
199.13251	1.7
203.27444	0.8
205.12192	0.8
208.30550	0.8
209.11771	3.8
211.13275	19.6
213.12727	1.2
219.13686	1.1
223.11177	0.8
223.13316	1.2
227.12770	2.5
229.14323	6.1
231.13791	1.0
233.15395	2.2
249.14900	1.9
250.91551	0.7
253.14304	1.5
255.13963	1.9
267.15930	100.0
268.16217	2.5
273.14813	4.7
283.15390	12.7
284.15485	1.0
285.16962	16.4
301.16330	2.5
310.28406	0.8
317.15912	1.9
341.21066	1.5
349.21768	3.8
357.24078	0.8
367.22754	9.5
385.23746	13.3
403.24823	3.4
433.25778	12.0
437.25339	3.3
441.26266	8.6
459.27441	86.7
460.27914	3.9
477.28476	58.1
478.29178	3.7
491.25784	1.5
501.28568	1.3
509.27426	2.7
519.29645	1.6
527.28534	5.7
567.29047	0.9
585.30389	1.0
603.31232	1.0
630.85083	0.9
652.87830	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	722.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.8
55.01870	4.0
55.02346	0.5
55.05513	8.6
57.03191	0.5
57.03440	6.8
59.04990	0.9
61.02906	1.1
61.14352	0.4
64.34813	0.4
65.03934	0.9
67.05502	13.3
69.03418	2.1
69.07062	3.3
70.21334	2.4
71.04993	2.5
72.65981	0.4
73.02899	0.7
76.14888	0.5
76.43729	0.4
79.05495	13.1
81.03417	35.7
81.07053	13.1
83.01359	2.8
83.04977	6.0
83.08618	10.7
85.02900	3.0
85.06516	1.2
90.93361	0.4
91.03970	0.6
91.05479	10.7
93.07043	14.3
95.04971	13.0
95.08610	6.5
97.02891	2.3
97.06557	2.6
97.10166	3.8
99.04429	0.9
99.08123	0.6
105.07032	8.6
107.04960	7.0
107.08596	7.3
109.02881	0.8
109.06535	4.0
109.09498	0.6
109.10146	3.5
111.04439	3.2
111.08072	3.1
115.05469	0.6
117.07015	4.0
119.04931	0.8
119.08586	7.7
121.06490	3.3
121.10130	5.6
123.04413	0.6
123.08081	4.0
125.05994	0.8
125.09624	3.6
128.06303	0.4
129.07002	4.6
130.07852	0.6
131.04909	0.7
131.08574	5.1
133.06487	2.1
133.10141	3.5
135.08032	2.3
135.11685	5.5
137.05972	1.2
137.09642	1.1
141.07013	0.5
142.07806	1.0
143.08531	1.1
143.10712	0.5
145.06482	1.9
145.10135	7.0
147.04373	0.8
147.08038	2.6
147.11676	3.0
149.09628	2.8
153.09109	0.8
153.12744	1.4
155.08534	0.9
157.06491	0.6
157.10161	3.8
159.08044	1.1
161.05965	2.4
161.09674	0.5
163.11163	9.5
165.12785	1.0
169.10289	0.5
171.08046	1.2
171.10281	0.5
171.11661	0.5
173.06090	0.5
173.09656	2.2
173.11813	0.6
175.11200	3.3
181.12256	1.7
183.08195	0.7
183.11623	0.7
185.13274	0.7
187.11159	0.5
189.09138	0.8
189.11221	1.7
189.12749	0.5
191.10681	2.4
193.12250	8.6
195.11679	0.6
197.09496	0.5
201.12767	0.6
205.12323	0.8
209.09911	0.5
209.11636	2.2
211.11282	0.8
211.13293	2.0
227.12735	2.1
231.13858	1.6
243.13878	0.9
249.14984	0.7
259.13464	0.6
261.14874	0.6
265.14313	1.0
267.15903	21.7
269.15341	0.9
271.13315	1.2
273.14929	1.3
283.15390	17.1
285.16867	0.7
287.16589	0.8
289.14319	2.3
315.18079	0.7
355.22720	1.4
365.21088	2.4
381.22244	0.5
383.22189	11.4
401.23199	6.2
419.24228	1.9
421.24066	0.7
431.24304	1.3
439.24872	1.3
457.19385	1.1
457.25854	23.1
475.26935	100.0
476.27274	4.4
493.27988	10.2
517.28021	0.9
525.30493	1.4
541.27985	0.5
571.28741	0.8
601.19556	0.5
644.20532	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	11.5
55.01870	23.9
55.05511	54.6
55.92497	3.7
57.03436	24.8
57.96242	4.2
61.02923	6.0
63.63161	3.9
67.05505	87.4
69.03439	32.4
69.07068	25.3
69.97130	4.2
70.90781	8.9
71.04984	11.8
73.02919	6.4
79.05495	81.6
81.03418	88.5
81.07058	100.0
82.07406	5.0
83.04986	34.1
83.08632	30.8
85.02904	29.7
85.06541	7.4
91.03953	5.5
91.05482	71.5
93.07053	76.6
95.04974	41.7
95.08606	48.5
97.02899	20.7
97.06522	16.6
97.10168	18.4
99.04490	10.9
105.07030	71.3
107.04951	18.8
107.08604	50.1
107.40033	4.8
109.02868	13.2
109.06507	21.6
109.10154	38.5
111.04446	13.4
111.08124	4.5
117.07029	32.1
117.27273	3.6
119.04991	5.0
119.08575	60.8
119.81430	3.8
121.06493	14.4
121.10146	32.2
123.04467	5.3
123.08076	17.2
123.11720	7.2
125.09628	14.3
127.03910	19.4
128.06161	7.8
129.07033	22.6
129.19646	3.8
131.08577	50.2
132.49371	4.8
133.06483	8.2
133.10118	44.5
135.08075	16.3
135.11668	12.6
137.05965	5.7
137.09569	8.4
141.07008	6.3
143.08566	17.0
145.06531	6.0
145.10138	34.1
147.08034	8.5
147.11687	32.8
149.09637	28.4
149.13277	6.7
151.11143	6.5
153.12737	5.8
155.08578	7.0
157.10144	21.7
159.08037	6.5
159.11710	19.8
161.09587	5.6
161.13257	12.5
163.03995	6.8
163.11188	13.3
165.12747	6.8
169.10075	8.0
171.11678	16.3
173.04489	15.9
173.09689	4.6
173.11745	4.2
173.13277	6.7
175.11211	14.5
181.10199	4.8
183.11766	11.8
185.13242	6.8
189.11237	7.4
193.10692	4.7
193.12222	30.7
197.13257	7.3
201.09062	4.6
201.12703	6.1
211.13246	32.9
211.14912	4.4
213.14818	4.6
227.12753	16.2
229.14395	12.7
235.46043	4.8
241.19695	4.9
248.75369	4.5
257.19006	14.9
259.20667	6.7
267.15985	23.7
273.18579	6.9
275.20087	63.4
285.17007	14.8
291.19543	9.5
299.19806	5.1
349.23758	37.9
429.20221	10.4
449.29993	8.7
523.34253	8.0
541.35217	71.1
542.35400	6.7
559.36328	59.4
623.34528	4.8
667.38019	5.7
685.39014	12.0
703.40472	38.5
721.38947	62.2
722.39447	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	721.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	8.4
55.01872	28.4
55.05514	28.8
57.03443	13.8
61.02923	5.4
65.03941	3.0
67.05507	63.0
69.03430	23.2
69.07076	32.1
71.04996	8.5
71.31183	5.5
73.02912	2.0
73.06612	2.1
79.05492	47.0
81.03423	90.4
81.07062	70.9
83.04990	24.8
83.08620	24.3
85.02925	16.3
85.06547	3.2
91.03938	2.9
91.05486	71.4
93.07047	47.3
95.01341	7.2
95.04981	34.9
95.08611	40.3
97.02889	20.6
97.06537	47.2
97.10190	6.2
99.04463	4.6
99.08096	3.3
105.07034	81.3
107.04961	26.1
107.08598	27.7
109.02896	9.1
109.06509	10.3
109.10168	18.2
111.04455	10.4
111.08120	13.6
113.06020	2.9
115.05447	2.8
117.07014	20.8
119.08590	50.9
121.06516	6.7
121.10142	19.1
123.04422	3.2
123.08092	7.2
123.11713	4.7
125.09632	5.0
127.03903	11.5
129.05540	2.7
129.07019	13.7
131.08574	34.4
133.06502	5.3
133.10133	48.0
133.11087	3.3
135.08096	6.0
135.11726	13.0
137.06032	2.0
137.09641	5.6
139.07544	3.2
141.07042	4.9
143.08574	8.0
145.06497	5.4
145.10118	16.9
147.08037	3.7
147.11679	28.1
149.09607	13.3
149.13277	6.2
153.12759	2.7
155.08627	5.4
157.10129	15.5
159.08073	2.3
159.11716	14.6
161.09656	3.0
161.13254	8.6
163.11186	13.0
163.14789	2.1
165.09158	2.3
165.12773	3.4
169.10094	3.7
171.11703	4.8
173.04475	4.5
173.11778	3.2
173.13239	6.2
175.11189	11.5
177.12732	5.0
179.14297	11.2
183.11769	5.4
185.13286	4.2
187.11171	4.7
189.11296	3.1
193.12247	25.3
211.13306	30.3
213.12845	2.0
219.17419	4.3
227.12843	5.9
229.14386	3.3
241.14352	2.4
247.20572	3.7
257.19046	7.6
267.15933	38.3
273.18579	4.1
275.20074	100.0
279.15939	3.0
283.15482	2.2
285.16980	8.8
291.19559	2.9
293.21124	8.5
313.21945	2.3
331.22345	2.3
333.24503	3.0
338.71844	2.4
349.23740	46.7
355.17590	3.5
414.58984	2.3
429.21222	36.7
430.22208	2.5
449.30685	2.4
461.29053	6.0
541.35309	80.3
542.35376	3.0
549.26746	3.3
559.36371	25.1
600.49127	2.6
670.26166	2.5
693.93347	2.3
703.40552	59.8
704.41016	3.1
721.37762	59.2
722.38672	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	721.4158
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
53.16901	3.0
54.22261	2.4
55.01865	8.3
55.05310	3.0
55.05512	34.0
57.03428	5.9
57.07069	4.1
61.02925	6.6
63.34391	2.5
63.88472	2.3
67.05512	43.6
68.21297	2.5
69.03419	12.2
69.07066	15.1
70.06564	2.4
71.04994	4.4
71.59547	4.4
79.05127	2.7
79.05499	30.7
81.03429	22.4
81.07064	41.8
83.04980	12.5
83.08614	10.8
85.02908	7.8
85.06543	3.6
91.03954	3.5
91.05478	29.1
93.07056	30.4
95.04945	14.1
95.08604	21.2
97.02889	9.6
97.06533	9.8
97.10166	15.3
105.07026	31.7
107.04931	7.8
107.08597	21.7
109.06509	6.9
109.10163	11.7
111.04413	6.8
111.08101	3.7
117.07042	19.0
119.08583	23.7
121.06493	4.8
121.10138	11.0
123.08043	3.8
123.11754	4.3
125.09647	17.4
127.03887	3.1
128.06171	4.2
129.06998	11.0
129.14519	2.7
131.08577	22.7
133.10152	19.2
134.48793	2.6
135.08078	6.8
135.11678	8.4
137.09561	2.7
142.07744	3.2
143.08594	12.7
145.10112	18.1
147.08037	4.7
147.11720	13.2
149.02405	3.9
149.09616	5.8
155.08572	8.1
157.10129	8.5
159.11708	15.7
161.13234	5.6
163.11218	5.5
165.12782	4.1
169.10135	11.3
171.11684	10.6
173.09592	3.7
173.11830	3.6
173.13263	7.7
181.10068	4.4
183.11690	6.7
183.56122	2.7
185.13300	4.7
189.11203	7.6
193.04933	7.4
193.12285	6.0
195.11684	4.2
197.13223	3.8
199.14891	5.5
207.11617	3.1
209.13252	3.9
211.13275	4.5
227.12784	19.1
256.26419	6.9
257.18970	5.6
259.20520	4.5
266.98639	3.0
267.15887	7.8
273.18478	3.9
275.19971	12.5
283.15366	5.1
297.22073	7.7
300.29071	3.5
315.23181	7.7
315.93680	2.8
349.23633	7.9
393.19394	2.7
429.19629	4.5
431.29904	3.6
449.30627	7.4
467.31467	4.5
485.32870	4.6
513.35602	6.9
523.34180	11.4
535.85144	2.7
541.35315	100.0
542.35400	5.3
559.36255	68.3
657.58423	3.4
703.40521	14.9
721.38464	15.7
721.57501	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	720.4895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.7
57.03440	12.5
57.07081	24.1
61.02923	3.5
67.05508	23.5
69.03441	3.1
69.07059	9.9
71.08640	21.7
71.59640	2.6
71.74422	1.8
79.05489	16.9
81.03419	39.9
81.07063	25.4
83.04980	9.5
83.08616	19.3
85.02913	18.4
85.06564	1.9
85.10183	9.6
89.06041	2.3
91.03954	2.2
91.05486	21.9
93.07033	13.2
95.04977	13.7
95.08620	20.2
97.02931	3.9
97.06548	3.7
97.10185	4.5
104.56514	1.8
105.07045	15.0
107.04948	4.2
107.08596	6.8
109.06499	2.5
109.10146	12.8
111.08081	5.3
119.08569	11.4
121.10149	5.3
123.11729	2.4
125.64114	2.0
129.07016	8.5
130.28676	2.3
131.08575	6.0
133.10132	8.6
142.07843	2.3
147.08069	1.8
147.11688	7.4
149.09619	4.6
157.10110	13.6
163.11292	2.5
165.12706	2.2
175.11180	6.5
183.63878	1.9
185.22984	1.9
193.12271	34.7
211.13321	47.6
226.14543	2.1
267.15930	14.7
285.16992	65.5
313.27411	65.3
353.75610	2.5
407.64267	2.1
463.82526	2.0
465.35486	3.3
505.38824	12.6
523.39972	100.0
524.40521	4.0
541.38940	2.2
630.19037	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	720.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.6
55.01873	2.0
55.05508	7.1
57.03438	5.5
61.02909	0.7
65.03934	1.4
67.05507	17.8
67.05853	0.6
69.03419	2.5
69.07071	4.2
71.04982	2.5
71.59752	1.0
73.02917	0.8
79.05490	22.3
81.03419	35.3
81.07057	16.9
82.03773	0.7
83.04975	5.9
83.08621	8.5
85.02890	1.8
85.06538	1.3
91.05482	20.0
92.05816	0.9
93.07040	22.6
94.07377	0.9
95.04971	13.8
95.08602	8.8
96.05304	0.9
97.02915	1.5
97.06535	2.6
97.10151	3.3
103.05448	1.0
105.07035	15.4
107.04930	4.0
107.08604	6.1
109.02859	1.6
109.06520	3.6
109.10157	3.4
111.04471	2.0
111.08106	3.6
113.22781	0.7
115.05379	1.2
117.07032	3.3
119.08591	11.5
121.06506	2.0
121.10133	4.1
123.08070	2.1
125.09590	1.1
128.06189	0.7
129.06999	8.1
131.08574	4.7
133.06505	1.8
133.10138	5.6
134.25072	0.8
135.08073	1.6
135.11702	1.2
141.07042	1.0
142.07820	1.5
143.08565	3.0
145.10127	4.9
147.08092	2.3
147.11682	13.0
149.09616	2.4
157.10176	3.8
159.11688	1.5
161.09647	2.3
161.13269	2.4
163.11162	2.2
170.77985	0.9
171.11678	8.4
175.11214	4.4
185.13237	0.7
189.12776	2.4
193.12291	8.1
197.13531	0.8
207.13831	6.0
211.13269	1.7
217.15628	0.7
254.17596	0.9
267.15906	31.5
268.16190	1.5
273.18512	0.9
275.20117	1.9
281.17480	22.8
283.15521	1.1
291.19662	1.0
291.80600	0.7
349.24234	1.0
421.25244	0.9
473.29013	100.0
474.29227	4.8
491.30179	1.6
515.30090	1.3
540.34064	1.7
541.35498	1.0
558.35089	2.6
581.31171	1.1
702.38586	1.4
720.40381	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	719.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.6
55.01868	6.5
55.05513	21.3
56.86868	2.0
57.03436	10.9
57.07073	3.6
61.02919	4.8
65.03947	3.1
67.05173	3.7
67.05510	56.9
69.03427	7.7
69.07068	16.6
71.04993	4.5
73.02919	5.3
75.47166	1.8
79.05495	56.7
81.03420	15.0
81.07060	52.5
83.04977	10.6
83.08616	8.4
85.02924	10.5
85.06535	3.3
91.05480	65.3
93.07046	66.4
95.04971	14.3
95.08604	36.2
97.02902	7.7
97.06544	5.1
97.10172	5.4
97.86509	2.0
99.08084	3.4
102.39718	2.0
103.05495	2.6
105.07030	54.3
107.04961	6.8
107.08598	24.9
109.02883	2.3
109.06507	6.3
109.10140	11.5
111.04450	4.3
111.08042	4.4
115.05433	2.9
117.07015	20.4
119.08581	39.7
121.06441	2.7
121.10146	16.4
123.08077	7.0
123.11713	2.8
125.09647	3.3
127.03864	3.2
128.06227	4.2
129.07004	20.4
130.07733	2.3
131.08562	24.4
133.06485	2.4
133.10138	26.1
135.11682	10.9
137.09619	2.9
141.07007	3.1
142.07782	2.5
143.08578	18.2
145.10130	24.7
147.08020	3.5
147.11691	40.1
149.09610	2.7
149.13258	4.5
153.82176	2.0
155.08572	7.8
157.10153	10.0
159.11691	19.3
161.09579	3.2
161.13271	18.9
163.11153	5.2
165.12749	2.0
167.08583	2.8
169.10112	9.7
171.11699	25.1
173.13284	11.3
175.14838	7.0
177.12746	2.8
181.10129	6.6
183.11749	10.0
184.07423	2.4
185.13205	11.9
187.11192	3.2
187.14778	2.9
189.12738	4.5
195.11716	7.1
197.13292	8.8
199.14854	7.1
200.98817	1.8
201.16475	2.3
207.13739	12.2
209.13263	4.7
211.14861	5.1
213.16287	2.1
221.13431	2.3
225.16534	3.0
231.21164	3.9
235.14827	3.7
237.16446	3.1
241.14354	2.5
241.19429	13.5
251.17839	2.8
257.19067	3.3
259.20605	33.8
261.22067	2.3
279.15878	7.2
281.17432	36.1
315.23270	3.0
321.22092	2.2
333.24280	22.2
437.34198	5.4
447.32590	12.9
465.33688	8.6
483.34305	6.1
521.36279	5.1
529.38672	5.3
539.37323	100.0
540.37537	3.4
557.38428	47.2
701.42578	10.2
719.44257	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	719.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	13.0
55.01872	19.8
55.05262	2.6
55.05511	49.6
57.03436	16.8
57.07077	2.4
59.05003	5.2
61.02921	3.6
65.03932	5.1
65.39664	2.0
67.05504	75.2
68.05837	3.2
68.67690	2.2
69.03079	2.8
69.03426	33.4
69.07065	33.1
70.53663	2.6
70.54066	5.4
71.01356	2.3
71.04989	15.0
73.02911	3.4
79.05489	66.3
80.05817	2.7
81.03417	100.0
81.07054	75.7
82.07391	2.2
83.01341	4.6
83.04984	28.2
83.08619	28.7
85.02896	22.8
85.06535	5.5
91.05478	69.7
93.06464	3.7
93.07042	62.1
95.01324	3.5
95.04972	34.2
95.08602	37.6
97.02895	24.8
97.06529	17.0
97.10162	22.7
99.04454	11.4
99.08092	3.8
103.05470	2.4
103.57548	1.8
105.07029	57.3
106.07381	2.8
107.04949	23.7
107.08588	42.2
109.02885	25.1
109.06509	18.1
109.10146	32.7
111.04437	15.8
111.08051	9.0
113.02369	1.8
115.05447	2.5
117.07022	24.5
119.08572	43.7
121.06500	13.2
121.10146	19.9
121.16085	2.1
123.04430	4.5
123.08085	14.8
123.11688	5.0
125.09631	22.7
127.03907	20.9
128.06160	3.1
129.05496	3.1
129.07005	15.7
130.07719	2.5
131.08568	28.8
133.06490	7.6
133.10138	24.9
135.08069	10.4
135.11702	17.1
137.09610	9.1
141.06992	4.8
142.07744	3.4
143.08559	12.9
145.06479	6.4
145.10112	34.3
147.08075	10.0
147.11684	17.5
149.09598	11.5
149.13243	4.5
151.07611	2.0
151.11183	3.7
153.09167	3.3
153.12733	4.6
155.08556	7.4
157.06488	1.8
157.10130	13.7
159.08073	5.9
159.11667	13.9
161.09624	6.4
161.13269	5.4
163.11179	24.2
165.09196	2.3
167.08624	2.8
169.10136	7.0
171.07988	2.8
171.11708	6.6
173.04504	17.3
173.05873	3.2
173.09645	8.6
173.11772	3.8
173.13266	5.9
175.11188	9.2
175.14803	2.1
177.12791	4.9
179.08575	2.5
179.14333	2.6
181.12251	7.9
183.11655	5.6
185.09694	3.1
185.13326	2.8
187.11168	2.9
189.09433	2.7
189.11169	14.9
191.10640	6.1
193.10463	2.8
193.12219	13.3
195.11694	2.2
195.13809	2.0
197.13310	4.6
199.14871	2.3
201.12755	4.3
203.10634	2.8
205.12215	2.9
207.82133	2.1
209.11690	5.3
209.13371	2.4
211.13310	18.2
213.12823	2.2
215.14296	2.0
219.13705	2.3
223.13313	5.3
227.12790	23.7
229.14337	3.7
229.19598	2.8
230.14735	2.7
232.58276	1.9
239.17938	3.0
245.19101	2.4
247.20770	2.3
257.19025	10.0
267.15857	9.6
273.15027	1.6
273.18451	10.9
275.20050	44.4
276.20465	2.2
283.15344	24.8
283.18124	2.7
289.14209	2.4
289.17764	1.9
291.19577	35.7
293.21011	5.5
313.21609	2.7
337.16312	3.7
347.22141	3.2
349.23724	17.8
350.24274	3.1
353.15970	3.3
355.17435	3.5
365.23300	4.6
399.21698	2.4
401.23163	2.3
419.24368	2.7
424.27618	7.8
427.19559	7.7
465.29913	3.9
491.25858	3.3
493.27646	2.5
529.35236	3.2
539.33673	17.0
557.34680	43.5
575.35510	9.2
599.36035	3.1
621.32837	2.9
630.65369	2.1
665.36304	2.5
677.89124	2.1
683.38025	4.0
701.38904	23.5
702.39301	2.8
719.39978	55.3
720.39697	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	718.4735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.9
55.05513	21.7
57.03432	13.7
57.07073	7.2
61.02943	2.8
67.05503	29.6
69.07078	27.3
71.04988	2.9
71.08631	4.7
71.60651	2.6
77.09814	2.5
79.05497	22.3
81.03417	39.1
81.07057	34.7
83.04977	10.8
83.08619	27.2
85.02906	19.7
87.00507	2.2
91.05484	20.8
93.07045	22.0
95.04986	16.2
95.08610	20.9
97.02909	5.3
97.06527	5.8
97.10173	13.0
99.08100	3.1
105.07037	12.3
107.04948	5.8
107.08595	9.5
109.10166	7.6
110.31130	2.5
111.04459	3.6
111.08090	7.9
119.08580	10.6
121.10172	12.4
125.09639	2.6
128.97047	2.8
129.07014	4.3
131.08577	9.2
133.10126	9.0
135.11697	8.2
147.11670	9.1
149.77469	2.8
157.10123	10.9
165.12784	2.7
175.11168	12.1
193.12234	30.1
211.13297	50.8
267.15906	17.8
285.16949	68.7
311.22180	3.1
311.25793	63.1
311.29269	4.9
413.31662	2.9
503.37244	14.7
521.38379	100.0
718.46619	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	718.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63597	1.0
55.01878	4.4
55.05511	8.5
57.03438	9.8
57.06825	1.4
57.07078	20.3
59.05008	1.5
61.02931	4.5
65.95867	0.8
67.05504	11.2
69.03403	1.5
69.07063	5.6
70.63187	0.8
71.04984	1.8
71.08636	14.6
71.59017	0.7
71.59668	1.1
73.31815	0.8
74.03176	0.8
77.06584	0.8
78.05205	1.0
79.05497	9.4
81.03426	6.3
81.06647	1.3
81.07060	16.1
83.01345	4.4
83.04987	4.9
83.08619	11.6
85.02924	4.7
85.10181	7.8
91.03938	1.4
91.05476	5.6
93.07049	10.6
95.04948	2.8
95.08616	12.8
97.02888	2.9
97.06503	2.9
97.10153	3.3
105.07007	4.1
107.04935	3.4
107.08600	5.4
109.06509	3.6
109.10148	6.0
111.04426	1.6
111.11711	1.2
117.07025	2.6
119.08577	3.6
121.06498	2.7
121.10089	4.5
123.08061	5.7
123.11690	1.3
125.06018	1.2
125.09671	0.9
126.06392	0.8
131.08603	1.9
133.10112	1.5
135.08084	1.0
135.11690	7.8
145.10106	7.8
153.12680	2.4
163.11197	13.1
173.09579	1.6
181.12262	2.4
191.10608	1.0
206.33141	0.9
209.11739	3.8
227.12796	2.2
239.23689	1.5
257.24680	1.6
283.15402	100.0
284.15707	3.2
313.27365	76.8
314.27710	2.7
521.38373	47.7
521.44202	0.6
522.38696	2.3
718.46600	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	715.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36226	0.2
53.03940	0.8
55.01875	0.3
55.05508	1.7
56.96547	0.3
57.03434	2.1
61.02927	4.1
67.05518	2.2
69.03424	2.9
69.07062	1.2
70.06601	2.4
71.01345	0.4
71.04984	1.0
71.59534	0.5
72.08163	1.5
73.02921	3.0
74.06078	0.6
79.05502	3.0
81.03415	5.0
81.07058	3.7
83.04980	1.2
83.08629	1.4
84.04513	1.0
84.08148	0.7
85.02907	6.5
86.09692	2.1
91.03951	2.2
91.05470	3.8
93.07034	3.0
95.04967	2.1
95.08610	1.3
97.02891	3.8
97.06531	1.1
97.10146	0.3
99.04469	0.9
101.02392	1.6
101.02953	0.3
102.05592	0.3
103.03943	0.4
105.07037	2.3
107.04954	0.6
107.08590	1.5
109.02897	0.9
109.06499	0.5
109.10177	1.0
111.04428	0.5
111.08077	0.7
115.03905	0.6
115.05508	0.3
117.06992	0.3
119.08595	2.1
120.08134	0.4
121.06501	0.3
121.10169	3.0
123.08115	0.6
127.03892	1.5
129.07008	1.0
131.08572	1.7
131.26239	0.3
133.06490	0.4
133.10149	1.7
136.07581	0.6
137.06003	0.7
139.11176	0.8
145.04984	0.6
145.10143	0.5
147.11687	1.4
149.06096	0.3
149.09644	1.1
151.11220	0.4
157.10153	1.2
161.09576	0.3
165.12729	0.3
167.10698	0.5
175.07587	0.3
175.11241	0.8
177.65379	0.3
185.04240	0.4
185.11690	0.4
193.12222	2.9
196.59296	0.3
211.13361	1.1
215.14037	0.4
225.10995	0.4
243.08438	1.6
251.12505	1.7
252.16068	0.9
259.08432	0.4
267.15909	0.8
269.13602	1.5
285.10132	0.5
285.17001	0.5
307.15216	0.5
326.19608	0.3
433.55582	0.4
438.48727	0.3
443.18884	4.9
461.16010	0.4
469.20474	13.0
470.20847	0.3
487.21567	5.5
509.26941	0.4
536.32343	0.5
541.22144	0.4
553.22083	0.6
553.30243	0.4
583.27991	0.4
671.32208	2.6
697.34326	1.8
698.35449	0.4
715.35065	100.0
716.35529	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	713.3354
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.3
55.01874	1.4
55.05507	1.0
57.03438	1.9
57.07082	0.5
61.02930	4.0
67.05502	1.9
69.03426	2.3
69.07056	0.9
69.61037	2.3
71.01336	0.5
71.04992	0.6
73.02917	2.9
79.05486	2.4
81.03419	2.9
81.07056	1.6
83.01086	0.8
83.04973	1.1
83.08613	1.2
84.01833	0.3
85.02897	5.4
87.04472	0.4
89.23331	0.3
91.03943	3.0
91.05467	1.6
93.07021	1.5
95.01086	0.5
95.04962	1.2
95.08610	0.7
96.01853	0.3
97.02894	3.8
97.06541	0.6
97.10137	0.4
99.04469	1.0
101.02385	1.3
103.03954	0.6
105.07026	1.1
107.04965	0.5
107.08607	0.8
107.63348	0.3
109.02830	0.8
109.10153	0.4
111.04450	0.3
111.08102	0.5
113.05913	0.3
117.05489	0.6
117.07084	0.3
119.08604	1.2
121.10143	0.8
123.04199	1.0
125.09660	0.7
127.03911	1.7
127.11198	0.5
129.05478	2.1
129.06958	0.4
131.08524	0.7
133.01683	0.3
133.10139	0.7
133.34203	0.3
137.05986	0.4
137.09639	0.5
139.03636	0.4
145.04953	0.7
147.11697	0.5
149.09654	0.6
157.10138	1.0
159.06631	0.3
163.11147	0.6
171.10075	0.3
173.09572	0.3
175.11252	0.8
181.04794	1.0
184.03528	0.4
185.04181	4.8
193.12263	1.4
195.06230	0.4
199.05801	1.1
199.13298	0.6
201.03746	1.9
201.14975	0.3
203.05267	0.4
211.13380	0.9
221.11513	0.5
227.05370	0.7
241.06883	0.9
243.08411	4.0
251.12553	3.1
253.14296	0.3
259.08011	0.7
265.14160	0.8
277.14108	1.8
285.10269	0.5
285.16992	0.4
291.10687	0.5
291.15744	1.1
301.08942	14.4
307.15216	0.9
313.09134	0.5
315.10425	3.6
321.16568	0.4
327.10565	1.3
329.12082	0.8
341.12125	1.1
343.13754	0.9
349.16168	3.0
355.13797	0.9
357.11478	0.4
357.15338	1.3
367.17285	1.3
369.15439	1.0
371.16843	1.1
373.11029	5.4
383.16763	2.8
385.18326	6.9
387.12643	1.2
392.09372	0.4
395.16791	2.0
401.14273	0.8
413.17902	0.6
415.15753	0.5
423.19971	0.5
427.12216	0.5
429.17401	2.2
433.25485	1.9
439.19476	1.3
441.21255	0.7
443.18881	5.2
451.19608	0.5
451.27124	0.5
457.20599	1.1
467.18924	0.9
469.20468	15.1
470.20822	0.4
479.26456	0.5
483.21887	0.9
484.19061	0.4
485.19717	3.4
499.21292	4.0
500.21826	0.5
509.74667	0.3
511.21875	0.9
527.21204	0.5
527.28357	1.7
528.21747	3.8
541.22510	7.5
542.23529	0.4
555.23889	2.2
569.25305	2.2
583.28638	0.9
595.31470	0.4
597.28491	0.5
611.30225	4.4
612.31146	3.2
625.31964	0.7
641.32465	0.4
651.33459	1.0
653.31384	1.2
667.32849	1.1
695.32330	2.1
696.32898	0.9
713.33453	100.0
714.33795	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	713.312
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81605	0.3
55.05495	0.7
56.96564	0.7
57.03409	1.2
61.02916	1.4
67.05499	2.4
69.03425	1.5
69.07069	0.6
69.42612	2.4
69.43037	0.8
70.06579	0.8
71.04984	0.4
73.02908	1.2
75.94004	0.4
79.05479	1.4
81.03421	1.5
81.07057	1.8
83.04962	0.8
83.08599	0.5
85.02902	2.3
91.03959	1.1
91.05482	2.0
93.07038	2.0
95.04961	1.5
95.08607	1.0
97.02866	1.8
97.06566	0.6
98.06057	1.6
99.04455	0.6
101.02347	0.5
105.07021	1.3
107.08623	0.6
109.06519	0.6
109.10143	0.8
111.04408	0.6
119.08611	0.8
120.08128	3.1
121.08450	0.4
121.10126	0.6
124.01339	0.3
126.05507	1.0
127.03919	0.9
129.06923	0.5
131.08563	0.8
133.10114	0.8
135.11650	0.5
137.05980	0.4
142.87993	0.3
145.10150	0.7
147.11673	0.5
148.32181	0.4
149.01216	0.5
151.07527	0.4
157.10139	0.6
163.11188	1.0
173.09688	0.5
175.11223	0.4
184.07358	0.4
193.12256	0.7
194.12538	0.3
203.05478	0.4
211.13255	0.6
243.08296	0.6
267.09045	2.7
283.15387	0.4
285.10019	2.9
289.09378	0.5
299.13895	0.5
308.11755	0.5
309.10199	0.6
325.62421	0.5
326.12512	0.7
359.92200	0.4
375.16217	1.1
399.04102	0.4
428.98160	0.4
447.21671	0.5
448.27536	0.6
467.18994	1.9
469.20212	2.2
485.16995	3.5
551.15833	0.9
695.32562	2.5
713.31854	100.0
714.32227	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	711.3197
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12318	0.6
55.01862	1.8
55.05507	2.1
56.96575	1.7
57.03434	2.9
61.02919	4.3
67.05508	5.3
69.03435	3.6
69.07058	2.0
70.53506	2.0
71.04996	1.8
71.47823	0.7
72.25123	0.7
73.02918	3.9
75.39230	0.6
78.52409	0.6
81.03426	4.0
81.07059	4.5
83.01112	1.1
83.04968	2.1
83.08624	2.0
85.02905	6.6
85.06544	0.8
88.31808	0.6
91.03952	5.4
91.05479	4.7
93.07022	4.9
94.07384	0.9
95.04980	1.2
95.08614	3.1
97.02900	5.3
97.06526	1.6
97.10145	1.0
99.04453	1.9
99.08110	1.0
101.02385	1.1
105.07034	2.7
107.04961	1.2
107.08591	3.0
109.02873	1.1
109.06514	1.4
109.10152	3.5
117.07017	1.0
117.56992	0.8
119.08616	1.9
119.98244	0.6
121.06557	0.7
121.10184	2.1
123.04299	0.7
123.08025	1.1
125.05967	0.9
127.03897	3.3
127.58344	0.7
129.05473	1.9
131.08530	1.3
131.38046	0.6
133.10146	2.2
135.11711	2.7
137.05998	1.0
137.09579	1.1
145.10153	2.2
147.11740	1.3
159.11751	1.1
163.11197	1.9
173.09703	1.5
173.11752	0.8
180.60300	0.8
181.12286	1.0
185.04211	5.4
192.18829	0.8
201.03758	2.7
203.05368	1.1
209.11731	1.0
221.11581	0.9
241.06931	1.0
243.08464	5.0
249.11061	2.2
251.75920	0.9
267.16141	0.7
283.15289	1.1
285.10040	2.0
301.08978	10.5
315.10571	3.7
327.10632	1.5
341.12106	1.4
347.14417	1.0
357.15579	2.5
357.65707	1.0
364.64642	0.8
365.15457	1.8
369.15405	0.8
371.16876	1.1
373.11157	5.5
377.81653	0.8
383.16757	1.1
385.18295	6.6
387.12494	1.3
401.14117	1.1
413.17944	1.2
429.17578	3.6
431.23914	1.2
439.19659	1.7
455.18915	1.3
457.20535	2.1
467.18912	14.4
468.19244	1.2
485.19803	2.8
497.20248	2.6
498.20871	2.0
511.21890	1.2
513.26721	0.8
539.20557	3.9
567.24237	2.0
581.29535	8.9
582.30139	2.5
609.28937	2.4
610.30261	1.1
639.29626	4.2
653.31006	2.0
665.31299	1.4
693.30267	3.6
694.31903	1.5
711.31842	100.0
712.32025	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	711.1398
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50203	0.1
53.03908	0.2
55.01844	0.1
57.03398	0.2
61.02887	0.2
67.01826	0.3
67.05483	0.1
68.21939	0.1
68.99773	0.3
69.03427	1.4
70.06544	0.1
71.04955	0.3
71.58605	0.1
73.02906	0.3
75.65238	0.1
79.71486	0.1
81.03409	1.4
83.66582	0.1
85.02905	2.0
87.00822	0.4
89.03893	0.1
95.08555	0.1
97.02890	0.9
98.97530	0.1
99.04462	0.5
103.03956	0.2
103.38977	0.1
105.01822	0.1
107.08548	0.1
109.02229	0.1
109.02881	1.2
109.10191	0.1
115.03864	0.1
119.08604	0.1
120.08102	0.1
121.10139	0.1
127.03084	0.1
127.03915	1.4
129.01720	0.1
133.10045	0.1
135.04407	1.0
137.02345	0.4
137.05977	0.1
140.07019	0.1
145.04961	0.4
151.82239	0.1
153.01822	3.3
159.02852	0.1
161.02257	0.3
171.02864	0.5
179.03339	0.2
187.06018	0.2
191.14174	0.1
197.11618	0.1
203.03415	0.1
213.03818	0.2
213.05608	0.1
241.04915	0.2
245.04521	0.1
258.05231	0.2
259.06049	0.2
263.05295	0.1
269.04462	0.4
270.05127	0.1
271.06018	0.3
286.04736	0.8
287.05484	100.0
288.05823	3.5
311.05551	0.1
313.03403	0.1
329.06549	0.3
449.10782	8.4
450.10913	0.4
457.84335	0.1
463.08725	0.9
491.11853	3.7
492.12411	0.1
517.01892	0.1
517.09766	1.8
535.10809	20.9
536.11066	0.8
577.11499	0.1
625.13904	2.9
626.14209	0.2
667.15118	0.2
693.12823	0.4
701.75433	0.1
711.13989	3.7
712.13696	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	3.3
55.05511	9.8
57.03436	11.9
59.05004	0.6
61.02920	1.6
65.03947	0.9
67.05505	16.1
69.03437	3.7
69.07066	5.1
70.06593	0.8
71.01356	0.5
71.04996	2.7
71.11263	0.5
71.11600	0.9
73.02930	0.7
79.05495	19.3
79.05960	1.0
81.03418	82.4
81.07059	18.3
82.03761	0.5
83.04987	9.2
83.08624	22.4
84.08959	0.5
85.02905	11.5
85.06539	1.4
86.09731	1.1
91.03958	1.0
91.05482	22.2
93.07046	13.1
95.04969	26.1
95.08607	8.0
97.02885	3.5
97.06541	3.4
97.10168	4.7
99.04452	0.6
99.08104	1.0
100.42451	0.4
103.05444	0.5
105.04529	0.4
105.07030	18.5
107.04375	0.3
107.04961	9.3
107.08590	7.9
109.06516	5.6
109.10165	3.8
111.04406	2.5
111.08081	9.3
113.06026	0.9
115.05457	1.2
117.07012	2.7
119.04967	1.1
119.08579	16.2
119.99874	0.4
121.06503	4.8
121.10145	8.5
122.10522	0.5
123.04410	0.9
123.08099	3.0
123.11710	1.4
125.05988	1.0
125.09627	3.9
127.03909	0.7
128.06247	0.8
129.07016	11.3
131.04901	1.2
131.08571	11.8
133.06491	4.6
133.10133	8.2
135.04472	0.5
135.08054	2.0
135.11682	0.6
137.06006	0.5
137.09639	2.0
139.11247	0.5
141.06958	0.8
142.07790	2.2
143.08539	1.4
145.06468	3.7
145.10155	2.5
147.08064	4.0
147.11693	10.9
149.09625	6.9
151.11160	1.0
153.09138	0.7
155.08522	1.2
157.06490	1.0
157.10126	13.2
159.08054	1.1
159.11690	0.6
161.06000	0.9
161.09644	1.1
163.11240	1.9
165.12787	2.6
169.06496	0.5
169.10101	0.7
171.08118	1.3
171.11726	1.0
173.09645	1.0
173.13301	0.5
175.11192	13.2
177.12672	0.4
183.08142	0.7
183.11772	0.7
184.07320	1.1
185.09631	0.6
185.13170	0.5
187.11188	0.5
189.11244	1.4
189.12778	0.7
193.12248	34.9
194.12589	0.6
195.11659	1.0
197.13347	0.7
199.11223	0.6
203.14282	0.6
205.12288	0.9
209.13358	0.5
211.11346	0.7
211.13275	15.9
212.13600	0.5
213.12697	0.7
217.12325	0.7
219.13831	1.4
220.23830	0.4
223.11148	0.6
227.12601	0.6
227.14551	0.5
229.12270	0.5
229.14316	1.0
231.13818	0.7
233.15349	1.1
235.13432	0.8
249.14948	1.8
255.13857	2.1
257.15298	0.5
259.13150	0.6
259.15552	1.0
267.15915	100.0
268.16293	1.8
273.14856	3.6
285.16971	14.2
286.17416	0.4
287.16519	0.7
292.33533	0.4
293.17468	0.8
299.16336	0.5
301.14365	0.8
309.17084	0.6
339.23264	1.1
341.21213	1.7
348.92236	0.4
349.21689	2.6
355.17465	0.4
357.23929	0.7
367.22745	7.0
368.82901	0.4
385.23752	10.4
403.24866	3.0
405.24225	1.1
415.24301	0.5
429.20755	0.4
433.16818	0.6
433.25827	13.8
434.26788	0.7
441.15640	0.4
441.26416	6.7
459.27417	68.5
460.27728	2.2
477.28497	49.8
478.28714	1.1
483.37787	0.4
495.29266	2.0
501.28586	0.5
513.29126	0.6
519.29547	1.1
530.30695	0.5
585.29865	0.5
603.31628	0.8
621.32867	0.8
710.35150	0.8
711.31683	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	709.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09025	0.1
54.49957	0.2
55.05499	0.4
57.03426	0.1
67.01877	0.4
67.05507	0.8
68.99808	0.3
69.03430	0.2
69.07038	0.3
69.32750	1.5
72.94737	0.1
77.27664	0.1
79.05484	0.7
81.03424	0.4
81.07066	0.7
85.02909	0.3
86.86282	0.1
89.03952	0.2
91.05476	0.5
93.07043	0.6
95.04979	0.3
95.08585	0.3
97.02899	0.2
97.06503	0.2
97.10138	0.2
98.21510	0.3
105.07024	0.3
107.08598	0.3
109.02901	0.2
109.10153	0.4
109.44541	0.1
112.78115	0.1
116.11597	0.2
117.07021	0.3
119.08586	0.3
121.10135	0.3
129.01831	0.2
131.08545	0.2
133.10155	0.2
135.04430	1.3
137.02338	0.5
153.01843	3.4
161.02348	0.5
167.92557	0.2
171.02921	1.2
179.03322	0.3
219.06619	0.2
241.04982	0.4
263.05521	0.2
269.04355	0.4
287.05505	100.0
288.05838	1.3
443.46362	0.2
529.35229	1.0
537.37378	0.3
709.32043	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01867	3.7
55.05515	4.9
56.96551	1.5
57.03432	6.5
57.10744	0.5
61.02913	1.8
61.13391	0.5
62.10342	0.6
67.05504	18.9
68.05830	0.8
69.03440	2.9
69.07067	5.8
70.53627	1.0
70.54021	0.9
71.04996	3.1
73.02900	2.3
79.05494	10.5
81.03416	26.9
81.06583	0.9
81.07053	17.1
82.07385	0.7
83.04975	6.3
83.08617	7.0
85.02915	3.6
85.06531	2.1
91.03936	0.7
91.05476	18.9
92.05797	0.9
93.06469	0.7
93.07041	10.3
95.04969	8.7
95.08604	4.1
97.02873	2.6
97.06521	2.2
97.10155	1.5
99.04436	1.5
101.02398	0.6
105.07021	15.0
107.04970	2.6
107.08587	14.2
109.02929	0.6
109.06506	3.5
109.10149	26.5
110.10541	0.9
110.16189	0.5
111.04414	1.2
111.07365	0.6
111.08038	3.5
112.08344	0.5
113.05991	2.1
115.05444	0.7
117.06988	1.7
119.08567	5.8
121.06477	1.1
121.10137	2.2
123.08067	1.5
123.11691	6.2
125.09579	1.4
127.03865	0.7
127.07527	1.7
129.07010	2.8
129.07797	0.4
131.08578	4.0
132.32832	0.5
133.03421	0.5
133.06493	1.4
133.10124	37.9
134.10437	1.0
134.99706	0.6
135.08015	0.6
135.11681	2.0
137.09575	1.5
142.07707	0.7
143.08563	1.0
145.10124	1.8
147.08029	1.7
147.11710	2.5
149.01260	0.6
149.09583	2.2
151.09955	1.2
151.11179	21.7
153.12662	0.5
157.10127	3.5
159.11713	0.6
159.46228	0.5
161.09572	1.6
163.11188	1.9
165.12717	0.9
169.12180	3.2
173.11766	0.5
173.13255	0.6
175.11180	3.2
177.00702	0.6
179.10689	1.9
184.07324	0.9
191.10643	1.0
193.12238	14.1
209.11731	0.9
211.13304	4.1
212.13672	1.2
215.12727	1.3
227.12772	1.0
229.14307	0.7
243.08401	0.7
249.14896	0.8
253.14339	100.0
254.14586	2.7
255.08777	0.8
267.09354	2.6
267.15909	40.7
268.16208	1.5
269.12527	0.6
271.15405	25.2
271.31683	0.5
272.15866	0.8
283.08551	1.1
283.15448	2.1
285.10043	3.6
285.16858	2.3
286.10559	0.6
287.11575	0.7
301.09406	0.9
351.25140	0.9
358.16406	1.0
371.21921	0.7
372.16299	0.8
373.65442	0.6
389.23050	1.0
437.25171	1.5
445.25821	22.0
446.26233	0.9
458.13062	0.7
463.26910	61.8
464.27316	2.4
467.18896	0.8
477.27957	1.2
481.27643	0.8
495.29370	5.5
505.27759	1.4
513.29358	1.5
571.29126	0.7
589.30371	0.7
710.35144	3.8
711.31519	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	707.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31793	3.8
53.03934	8.1
55.01858	12.4
55.05505	42.8
57.03425	17.2
61.02898	5.7
65.03923	7.0
67.05500	96.9
69.03444	21.0
69.07063	22.8
71.04972	15.3
71.60631	5.5
79.05486	65.1
81.03414	87.1
81.06593	5.5
81.07053	100.0
83.04979	27.0
83.08604	25.8
85.02884	22.0
85.57608	4.0
91.05470	60.7
91.24768	3.6
93.07037	67.5
95.04944	40.6
95.08599	57.9
95.86850	3.4
97.02873	17.5
97.06505	10.8
97.10143	10.1
99.04442	10.2
105.07016	50.4
107.04955	7.7
107.08579	38.4
109.02866	7.0
109.06490	14.7
109.10155	28.1
111.04417	17.4
111.08056	12.1
115.05476	3.7
117.07009	15.4
119.08571	39.4
121.06413	4.5
121.08673	3.9
121.10146	35.5
123.08039	6.6
123.11662	9.9
125.09574	6.7
127.03877	7.3
128.06181	4.7
129.05478	11.5
129.06981	11.1
131.08560	25.5
133.06503	6.8
133.10135	23.8
135.08040	8.7
135.11685	17.5
137.09583	5.0
139.11168	3.6
139.67891	4.2
143.08527	8.4
145.06393	4.5
145.10109	23.5
146.10449	4.3
147.08054	5.1
147.11676	34.8
149.09605	12.1
149.13263	9.2
151.11107	5.4
153.12617	4.4
155.08537	7.3
157.08948	4.2
157.10097	19.0
159.11659	15.9
161.09557	5.9
161.13245	9.2
163.11137	13.9
163.14886	5.1
165.12758	6.5
167.08524	6.2
169.10068	7.2
171.11572	4.8
173.09537	5.4
173.13239	11.6
175.11182	9.4
177.12691	4.2
181.10129	5.6
181.12230	7.3
183.11737	5.1
185.61134	4.2
187.14754	5.0
191.10489	4.7
193.10495	6.4
193.12224	37.6
211.13268	51.7
211.15059	6.7
213.05540	5.2
227.12752	13.8
259.13290	5.2
261.22134	14.4
267.15903	19.7
271.70831	4.1
275.20090	4.5
277.21725	7.6
283.15262	7.5
285.16989	18.7
319.48721	4.6
335.25854	44.8
337.27341	6.7
341.25009	4.7
355.15372	9.2
369.24005	8.9
387.25110	4.5
405.26611	4.0
417.39645	4.2
429.20441	14.9
443.27704	5.3
461.28992	6.3
527.38043	18.4
545.38342	51.6
546.37909	5.1
563.39807	5.7
635.39319	6.9
653.39801	14.1
671.40979	14.9
689.42053	39.4
707.24481	4.2
707.42047	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.01876	6.1
55.05258	3.2
55.05505	35.3
55.90821	1.9
57.03432	20.1
57.07068	3.0
61.02901	2.9
65.03931	4.5
65.74688	1.8
65.87749	2.0
66.70110	1.8
67.05501	96.4
69.03429	23.8
69.07062	23.6
69.75031	3.9
69.75444	9.6
71.04986	10.2
73.02903	2.7
74.53130	1.7
79.05489	58.0
81.03416	100.0
81.07053	87.0
83.04975	41.3
83.08612	31.2
84.25704	1.7
85.02905	18.8
85.06559	2.9
91.05474	55.9
91.06009	3.7
93.07040	60.2
95.04964	30.3
95.08607	53.1
97.02890	20.3
97.06509	9.4
97.10173	8.6
99.04455	5.8
99.08136	3.5
103.03942	2.3
105.07025	42.8
107.04942	6.4
107.08589	35.0
109.02888	13.4
109.06528	8.0
109.10144	26.2
111.04435	18.7
111.08088	14.0
113.06009	2.2
117.07013	11.0
119.08573	35.6
121.06500	5.7
121.10136	29.3
123.04434	3.5
123.08065	4.2
123.11690	10.0
125.09640	5.1
126.80011	2.1
127.03922	10.4
129.05478	12.4
129.06992	15.1
131.08571	26.2
133.06496	5.7
133.10123	21.7
135.08044	3.2
135.11679	21.3
137.09676	2.6
141.07008	2.3
142.07840	2.0
143.08554	6.9
145.10127	18.0
147.08073	5.6
147.11676	26.7
149.09644	9.5
149.13292	7.9
153.12741	4.6
155.08536	4.9
157.10139	20.8
159.08063	3.1
159.11703	9.5
161.13263	8.4
163.11179	7.5
163.14778	3.2
165.12787	4.0
169.10069	3.7
171.11661	2.0
173.05986	2.5
173.13266	7.2
175.11186	15.2
181.10098	2.7
181.12262	8.4
183.11722	3.3
185.13248	3.2
187.14859	5.7
189.11270	2.8
189.12845	2.1
191.10643	5.8
193.12238	44.5
193.13858	3.7
197.13303	3.7
199.11195	3.3
209.13397	1.9
211.13269	65.7
227.12718	17.0
229.14433	5.9
239.17651	2.1
243.21083	4.5
259.20703	2.1
261.22137	11.9
263.23849	2.0
267.15921	17.4
277.21646	3.1
283.15503	5.6
285.16937	25.3
301.21494	2.4
315.22949	3.1
317.24634	2.4
335.25772	68.4
336.26184	3.8
337.16470	3.0
337.27368	8.8
341.24686	2.9
355.17392	3.9
369.24268	5.5
371.25574	2.7
387.25272	4.5
411.20313	2.3
429.21445	13.1
443.28030	4.4
453.33353	2.4
461.29147	3.3
479.30032	4.7
527.37488	14.8
545.38416	66.5
546.38586	5.5
653.39856	4.7
671.41626	3.7
689.42328	28.9
707.42279	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	707.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.3
55.01862	9.8
55.05511	36.8
57.03432	14.5
57.07067	11.7
65.03928	4.2
67.05503	78.8
69.03425	22.5
69.07067	25.7
71.04985	9.1
71.08627	2.2
71.59993	3.0
71.60383	2.2
79.05491	61.9
81.03419	100.0
81.07058	83.2
83.04974	36.8
83.08616	24.4
85.02913	25.6
85.06532	4.0
87.04465	52.2
88.04790	5.6
91.05479	54.8
93.07047	60.1
95.04959	33.7
95.08607	43.3
97.02876	16.7
97.06543	12.1
97.10176	10.7
98.98462	3.0
99.04490	4.6
99.08074	3.2
105.07027	37.8
107.04973	13.0
107.08596	33.1
107.09708	2.4
109.02885	12.8
109.06538	7.4
109.10159	26.5
111.04476	19.6
111.08076	14.1
115.05440	3.0
117.07034	15.2
119.08575	39.1
121.06499	7.7
121.10150	34.8
123.04462	2.4
123.08021	5.2
123.11719	11.5
125.09592	5.5
127.03910	9.3
129.05476	8.4
129.06993	15.8
131.08568	27.7
133.06541	5.1
133.10130	28.0
135.08070	8.2
135.11710	18.7
136.58588	2.2
137.05997	3.4
137.09604	3.0
137.13293	2.4
141.06984	3.7
143.08556	9.8
145.06447	6.4
145.10149	17.7
147.08060	5.6
147.11687	25.9
149.09612	8.6
149.13260	8.1
153.12747	6.9
155.08563	6.3
157.10107	18.5
157.99289	2.3
159.11668	12.8
161.13301	8.0
163.11150	8.1
163.14774	3.7
165.12727	6.2
169.10124	5.5
171.11679	4.6
173.09634	4.5
173.13235	6.8
175.11240	13.8
175.14723	3.1
181.12271	4.8
183.11708	3.1
184.07286	5.7
185.13231	6.1
187.03938	2.7
187.11154	2.8
187.14761	3.6
189.11194	2.6
191.10741	5.6
193.10583	4.2
193.12248	38.4
194.12550	2.7
197.13258	3.4
201.16512	2.7
209.11705	2.3
211.13277	53.0
212.59482	2.2
227.12752	16.5
229.14320	5.4
243.21101	3.1
259.20581	3.2
261.22144	9.7
262.22293	2.7
267.15912	18.6
275.20193	2.3
275.45798	2.1
277.21643	6.8
278.21942	2.6
283.15372	6.4
285.17017	25.6
291.19067	3.0
303.23193	4.1
317.24646	3.7
335.25797	29.1
337.27328	7.8
351.22867	3.7
353.15997	2.9
355.17679	2.9
369.24332	8.5
387.25290	5.9
405.26563	3.7
411.19861	3.2
427.19672	6.0
429.21365	11.3
443.27612	3.9
453.33557	4.2
461.28848	4.2
479.30362	3.6
527.37347	23.0
528.12622	2.2
535.35895	4.1
545.38373	41.9
563.39734	3.4
609.44855	6.6
653.39899	8.8
671.41376	12.0
689.32025	2.3
689.42572	31.0
690.42383	3.5
707.42755	18.4
708.43109	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	706.4655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66784	0.3
55.05473	0.6
56.05011	0.4
57.07053	0.4
58.06614	0.4
60.08168	5.9
67.05502	1.4
69.07045	0.6
69.43472	2.8
71.07372	3.0
71.08629	0.3
75.27818	0.3
76.69447	0.3
79.05461	1.0
81.03374	0.7
81.07024	1.2
83.08610	0.4
86.09710	30.8
87.04443	1.1
87.09986	0.3
91.05455	1.0
93.07022	1.3
95.08576	0.9
97.10164	0.4
98.97975	0.3
98.98478	2.8
104.10770	2.5
105.06990	0.8
107.08564	0.4
109.06455	0.3
109.10142	0.3
119.08562	0.5
121.10109	0.4
125.00013	19.8
131.08556	0.5
132.08902	0.3
133.10141	0.7
143.01015	0.6
147.11667	0.4
184.07349	100.0
185.07648	0.8
211.38344	0.3
496.34421	0.4
513.09027	0.3
535.36670	0.6
547.55524	0.3
706.46790	9.4
707.45215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21611	0.6
53.03937	3.2
55.01874	5.1
55.05265	1.1
55.05511	16.3
57.03179	1.1
57.03435	13.5
59.05005	1.4
61.02924	3.8
65.03951	0.8
67.05504	27.3
69.03426	6.3
69.06774	0.8
69.07071	8.4
69.35251	0.6
70.06577	1.3
71.01344	1.2
71.04993	4.8
71.08615	2.3
72.08171	1.0
73.02909	2.5
77.03934	0.9
79.05493	28.5
80.05855	0.7
81.03418	82.4
81.07056	28.9
82.03741	0.8
82.07362	0.7
83.01346	2.4
83.04985	15.4
83.08617	28.6
84.08157	0.9
85.02428	1.2
85.02905	17.7
85.06530	2.2
86.06067	4.9
91.03972	1.8
91.05479	29.3
93.06468	1.3
93.07046	22.5
95.01339	0.7
95.04966	30.7
95.08036	1.3
95.08601	13.3
96.08096	1.4
97.02892	7.9
97.06537	6.0
97.10167	6.9
98.06068	0.7
98.09692	3.0
99.00824	1.3
99.04454	2.4
99.08091	3.2
101.11140	0.7
103.05456	1.0
105.07029	20.7
107.04961	14.2
107.08593	15.0
109.02866	3.8
109.06515	8.9
109.10159	6.7
111.04433	6.3
111.08075	10.1
115.05423	1.5
116.10732	16.8
117.07019	6.8
119.04939	0.8
119.08576	19.7
121.06508	7.2
121.10138	14.1
122.09653	1.3
123.04427	1.5
123.08072	5.6
123.11709	1.8
125.05920	1.2
125.09621	5.3
127.03928	2.6
128.06255	1.0
129.05513	1.3
129.07002	11.3
131.04892	0.9
131.08571	13.3
133.06467	4.1
133.10127	12.6
135.08034	2.9
135.11684	10.7
137.06017	1.4
137.09608	3.1
142.07756	2.1
143.08549	2.4
143.10626	1.2
145.06520	5.0
145.10117	11.6
147.04413	0.9
147.08055	5.1
147.10611	1.2
147.11682	11.3
149.09613	6.8
151.11159	2.6
153.12749	2.5
155.08516	2.9
157.06502	0.9
157.10121	12.6
159.08051	1.3
161.05983	0.9
161.09616	3.2
163.11198	15.0
165.09137	1.7
165.12770	2.9
167.10649	0.7
169.10150	1.4
171.08025	1.7
171.11653	1.0
173.09619	5.2
175.11186	12.5
179.10645	1.0
181.12244	4.2
185.13232	0.9
189.09128	1.3
189.11240	1.5
191.10675	3.0
192.11115	0.9
193.12242	35.7
195.11732	0.9
196.16887	1.7
197.13326	1.7
199.13339	0.8
209.11655	4.6
211.13289	18.9
213.12651	1.1
214.18019	18.1
215.18307	1.0
225.11151	1.1
227.12767	5.0
229.14389	2.2
231.14001	0.9
233.15364	1.0
249.14948	1.2
255.13734	2.4
261.34521	0.7
265.14307	8.5
267.15909	100.0
268.16339	1.4
273.14691	3.5
283.15390	27.7
285.10071	2.1
285.16971	18.5
287.05539	5.4
298.23767	2.0
299.14777	3.9
301.16501	7.6
309.16852	0.8
314.23108	1.2
323.18784	1.0
341.21259	1.5
342.22769	1.3
349.21652	2.1
360.23831	19.8
367.22556	5.8
376.23273	1.0
383.11081	1.1
385.23730	9.4
403.24567	3.3
415.24930	1.0
433.25797	10.1
440.30118	1.2
441.26456	6.6
446.23657	1.5
458.31308	5.1
459.27414	60.8
460.27753	1.9
462.23358	2.3
473.25357	3.0
477.28470	38.1
478.28491	1.2
491.26205	20.1
492.26468	1.1
501.28952	1.1
509.27362	29.7
510.27847	1.0
527.28522	1.7
544.30762	1.4
608.29199	9.8
706.36029	3.7
721.38458	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.0
53.03942	3.2
55.01872	8.0
55.05262	1.6
55.05514	27.2
57.03440	16.6
57.07066	1.6
59.04996	4.0
61.02924	2.5
65.03925	2.1
67.05505	54.5
69.03448	5.5
69.07065	10.1
71.01352	2.3
71.04999	6.1
71.59605	1.7
73.02909	4.4
79.05493	39.5
81.03419	49.5
81.07057	34.4
82.07388	1.4
83.01359	6.8
83.04987	20.8
83.08620	19.8
85.02901	17.1
85.06538	2.8
87.04460	3.1
91.03967	2.2
91.05483	45.5
92.05814	1.1
93.07044	33.4
95.04972	20.2
95.08607	14.0
97.02908	7.3
97.06549	6.1
97.10178	9.4
99.04444	2.7
99.08093	2.2
105.07036	28.5
107.04962	18.7
107.08598	17.5
109.02887	1.7
109.06520	8.8
109.10163	28.6
111.04435	3.2
111.08080	6.2
115.03944	1.0
115.05473	1.2
117.07026	7.1
119.07778	2.0
119.08576	21.8
121.06520	4.9
121.10155	11.9
123.08078	8.5
125.05997	1.2
125.09637	7.0
127.03876	1.4
129.07001	11.0
131.08571	14.8
133.06511	3.4
133.10143	18.9
135.08099	2.6
135.11684	11.6
137.09631	5.4
142.07799	1.9
145.10127	15.2
147.08025	4.7
147.11674	10.6
149.09601	4.6
151.11177	2.6
153.12772	4.8
155.08510	1.6
155.10603	1.4
157.10139	13.4
161.09671	1.4
163.11188	25.8
171.11652	1.1
173.09598	3.1
173.11797	6.5
175.11189	10.8
181.12244	2.6
189.11191	1.1
191.10709	3.6
193.12230	16.1
199.13278	2.1
209.11720	11.0
211.13309	2.4
227.12747	8.3
229.14319	22.7
253.14279	2.3
265.14249	1.1
267.15927	64.5
268.16290	2.1
283.15405	70.9
284.15817	1.7
301.16614	8.2
407.24274	1.9
425.25351	2.3
433.25800	2.0
437.25311	15.0
439.95346	1.1
451.66299	1.1
459.27423	100.0
460.27515	3.8
477.28430	3.8
491.26346	15.6
501.28607	2.9
506.71060	1.2
509.27429	37.9
510.27698	2.7
527.28540	25.7
528.28314	1.5
567.29071	1.4
636.41156	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52723	0.2
53.03938	0.7
54.94380	0.2
55.01867	0.4
55.05270	0.3
55.05515	4.5
55.09402	0.2
56.05031	0.5
57.03438	1.3
57.07076	0.7
60.04529	0.3
61.02922	1.3
62.06084	1.4
65.03948	0.4
67.05171	0.5
67.05507	8.0
69.03424	2.8
69.07069	10.3
69.43417	1.6
69.43848	0.7
70.06586	2.4
71.04998	1.9
71.07368	0.8
71.08623	0.6
72.08155	3.7
73.02909	1.1
73.06557	0.3
77.02542	0.2
79.05489	3.1
81.03427	1.9
81.07057	14.3
82.06599	0.3
83.04967	1.2
83.08617	2.2
83.65920	0.3
84.04504	0.8
84.08149	3.1
85.02907	4.9
85.06551	2.8
86.06068	24.5
86.09696	0.4
87.00874	0.3
87.04453	1.0
91.03973	0.4
91.05474	1.5
93.07040	2.8
94.06551	0.5
95.04948	1.0
95.08607	12.0
96.08140	5.0
97.02897	2.1
97.06528	2.7
97.10172	0.7
98.06060	1.0
98.09691	8.3
98.21432	0.5
99.04479	0.6
99.08103	0.9
100.07607	0.3
105.07037	2.2
107.04958	0.5
107.08589	1.9
108.08112	3.2
109.02872	0.9
109.06509	0.7
109.08961	0.3
109.10155	1.7
110.09673	1.1
111.08089	0.6
112.07672	0.3
113.08395	0.5
114.09220	1.3
115.07567	4.6
116.10732	63.6
117.07066	0.3
117.11071	1.0
117.77673	0.3
119.08578	1.8
120.08098	0.4
121.06520	0.3
121.08882	0.4
121.10115	1.6
122.09661	3.0
122.10477	0.3
123.08044	0.7
123.11707	1.1
123.90669	0.3
124.07594	1.3
126.09159	0.9
127.03910	1.1
129.06975	0.5
131.08582	0.6
133.10129	0.5
134.09689	0.4
135.11716	0.7
136.11227	1.1
137.13269	0.5
138.09154	0.5
139.09909	0.2
140.10718	1.8
140.11639	0.3
141.09128	0.3
142.08646	1.6
145.04988	0.4
145.10152	0.7
147.07986	0.3
147.11690	2.4
147.91145	0.2
149.09674	0.4
152.10645	0.4
154.12234	0.4
157.10181	0.4
158.11771	0.5
163.11150	0.5
165.09126	0.8
165.12756	1.8
175.11279	0.4
177.09122	0.3
183.11795	0.2
183.13792	0.9
191.10754	0.4
193.12193	0.5
201.14890	1.1
204.06529	0.5
210.18607	0.3
211.16922	2.3
212.16457	2.3
214.18039	0.3
222.22160	1.0
226.18007	1.1
227.16415	3.2
230.17485	0.5
231.11317	0.3
232.20589	0.4
234.22215	1.2
238.21661	3.2
246.22198	0.5
248.20117	1.0
250.21704	2.7
251.22017	0.3
252.23235	0.5
255.15880	0.4
259.10934	0.4
262.21683	1.7
264.23276	2.9
265.14322	0.3
267.15948	0.5
280.22720	10.1
281.22940	0.4
282.24283	21.4
283.15488	0.9
283.24655	0.8
285.09985	0.3
285.17020	0.4
298.23770	64.0
299.14911	0.5
299.24109	3.8
301.11914	0.8
301.16296	0.3
308.22070	0.6
319.12604	0.6
326.23239	2.0
344.24258	5.2
368.24271	0.4
374.21991	0.3
386.25372	9.5
387.25409	0.4
394.29453	0.5
412.23361	1.8
430.24368	100.0
431.24704	6.1
444.29337	0.4
446.24274	0.3
458.31003	0.5
460.29126	0.6
473.24677	0.4
482.31070	0.4
488.28699	0.5
491.26245	1.1
500.32077	0.4
506.29654	0.4
509.27264	0.9
526.29871	2.3
544.31177	3.5
545.31274	0.4
548.30438	0.8
574.28290	0.5
592.29657	26.4
593.29987	2.0
608.28864	0.7
688.36353	0.4
706.36615	3.0
707.36768	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19978	0.8
53.00315	0.8
53.03938	4.2
55.01625	1.1
55.01873	14.0
55.05512	31.1
57.03431	14.1
57.07070	1.6
59.04995	3.5
61.02924	6.7
65.03927	2.1
67.05503	38.6
69.03439	4.6
69.07064	12.2
69.41905	2.5
69.42319	6.0
71.01354	5.1
71.04986	5.1
73.02908	3.7
73.07272	1.1
74.58936	0.9
77.03889	1.0
79.05492	35.7
81.03419	31.5
81.03812	0.6
81.07056	30.3
83.01333	8.4
83.04977	22.2
83.08621	16.8
85.02901	13.2
85.06524	2.8
86.09689	2.3
87.04483	1.6
91.03957	2.3
91.05479	24.0
92.05769	0.9
93.06466	1.9
93.07043	35.3
95.04972	14.5
95.08613	14.1
97.02892	15.0
97.06536	8.8
97.10175	13.2
99.04450	4.0
99.08064	1.4
103.05463	1.0
105.07034	17.4
107.04958	24.2
107.08591	23.1
109.02866	3.4
109.06528	8.4
109.10158	17.4
109.10883	0.7
111.04454	9.0
111.08065	4.7
113.05971	1.4
114.20057	0.9
115.05458	1.5
117.07018	12.9
119.08583	14.0
120.08988	0.9
121.06526	6.2
121.10152	13.7
123.04406	1.5
123.08054	8.2
125.00025	1.6
125.06006	1.8
125.09612	9.4
127.03914	2.8
129.07010	4.2
130.07803	1.5
131.08575	10.6
133.10158	5.1
135.08067	3.5
135.11696	22.9
137.09590	1.9
143.08557	1.1
143.10683	1.9
145.06503	2.4
145.10126	27.5
147.08049	3.3
147.11659	2.1
149.05946	1.3
149.09627	2.5
151.11150	1.3
153.12743	18.2
155.08553	3.6
155.10637	1.3
157.10095	2.0
163.11180	47.0
165.09158	1.4
165.12741	1.0
173.09621	8.6
173.11739	3.8
181.12238	14.3
184.07309	2.6
191.10696	11.4
193.12213	1.8
199.13237	10.2
209.11736	20.2
211.13199	1.7
218.81897	1.1
227.10564	1.1
227.12776	22.3
229.14322	11.1
247.13338	1.0
265.14334	7.4
267.15958	3.5
283.15393	100.0
284.15701	3.3
301.16415	3.8
407.24265	2.2
425.25165	2.2
437.25305	20.0
459.27347	1.5
473.25500	1.2
491.26389	19.3
492.26779	1.5
499.99777	0.9
509.27448	21.3
510.27966	1.2
527.28491	9.8
722.32214	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	706.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.4
53.03942	1.9
55.01874	3.3
55.05510	11.8
57.03438	9.7
57.07057	0.5
59.04976	1.6
61.02926	2.9
62.40033	0.3
65.03912	0.9
67.05502	15.9
69.03423	3.8
69.07064	4.5
70.78002	1.0
71.01321	1.1
71.05004	2.5
71.08572	0.4
73.02888	1.3
76.35931	0.3
77.03906	0.4
79.05493	14.8
81.03417	37.1
81.07056	18.8
82.03735	0.5
82.07354	0.3
83.01329	0.5
83.04982	8.9
83.08617	17.4
85.02906	13.2
85.06549	2.0
86.06036	0.9
87.04470	0.8
91.03920	1.4
91.05478	22.9
93.07040	16.1
94.07347	0.4
95.04374	0.8
95.04968	14.8
95.08049	0.5
95.08607	7.1
97.02887	6.0
97.06015	0.3
97.06535	3.6
97.10174	2.8
99.00208	0.7
99.00815	11.4
99.04417	1.3
99.08053	1.3
101.02380	0.4
103.05460	0.9
105.07030	17.3
107.04298	0.6
107.04958	7.8
107.08592	7.7
109.02874	7.3
109.05913	0.4
109.06527	4.4
109.10146	4.9
111.04449	3.0
111.07368	0.6
111.08080	8.7
113.05974	1.4
115.03938	2.2
115.05382	0.9
116.10717	2.0
117.07014	2.8
119.04913	0.9
119.08588	15.0
121.06499	5.1
121.10144	6.0
123.04375	1.2
123.08044	2.1
123.11729	2.4
125.05930	0.5
125.09601	0.9
127.03925	2.7
128.06262	0.6
129.05528	0.4
129.07019	5.5
131.08560	5.6
133.06500	2.5
133.10127	28.7
134.10460	1.0
135.08022	1.3
135.11681	2.7
137.05945	1.3
137.09630	1.7
139.07509	2.0
142.07733	1.0
143.08597	3.0
145.06477	1.1
145.10121	3.1
147.08026	2.5
147.11671	7.8
149.09613	3.2
151.07535	0.6
151.11179	8.6
153.06924	0.6
157.10129	7.5
161.08293	0.6
161.09618	12.3
163.11189	3.9
165.09082	1.2
165.12779	1.8
171.08014	2.6
173.09573	0.5
175.09744	0.7
175.11185	8.5
179.10681	7.4
181.12260	0.7
189.09116	6.3
191.10686	0.7
193.12247	24.9
197.11725	1.8
207.10156	2.1
209.11720	1.0
211.13289	35.9
212.13602	0.5
214.18011	3.2
219.11748	0.3
219.13744	0.7
225.11217	7.6
227.12746	2.2
243.12321	1.3
249.14828	0.8
261.16544	0.4
265.14340	1.2
267.15915	13.8
268.16281	0.6
281.13840	3.7
283.15436	4.9
285.16962	35.5
286.17355	1.0
287.05322	0.4
299.14886	57.5
300.15094	1.9
301.16501	1.9
315.18185	0.4
360.23761	3.0
383.11401	0.5
399.21957	0.3
417.22797	0.5
445.25928	1.3
459.27313	0.7
463.26837	0.6
473.25443	3.2
474.25888	0.4
491.26431	15.8
492.26816	1.1
509.27469	100.0
510.20804	0.4
510.27979	5.9
527.29187	0.7
608.29071	1.5
706.36353	0.5
710.41345	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
55.01865	11.5
55.05513	39.6
57.03215	2.3
57.03443	22.1
57.07074	2.7
59.04995	8.9
61.02914	10.2
65.03949	3.1
65.88125	2.4
67.04298	2.4
67.05505	74.9
69.03422	5.5
69.07060	9.9
69.35381	19.2
69.35801	5.3
71.01358	3.9
71.04979	7.8
72.65781	2.4
73.02916	6.5
77.57337	2.2
79.05490	36.3
80.22298	2.1
81.03419	27.7
81.07059	47.0
83.01335	9.7
83.04978	20.8
83.08630	20.3
85.02912	21.7
85.06557	2.5
87.04446	4.9
91.03951	5.1
91.05473	27.7
93.07039	40.8
95.04977	16.4
95.08611	15.3
97.02895	12.1
97.06526	6.4
97.10155	13.7
98.21494	5.7
99.04474	6.0
105.07030	16.4
107.04961	11.2
107.08588	26.1
109.02958	3.1
109.06516	9.8
109.09467	4.0
109.10160	47.1
111.04443	5.6
111.08085	5.4
117.07010	11.4
119.08572	16.5
121.06484	4.5
121.10145	14.0
123.08067	9.5
125.05984	3.7
125.09653	15.6
127.03912	3.8
129.07007	4.2
131.08563	8.9
133.10132	9.0
135.08043	4.1
135.11679	18.0
137.09595	4.5
143.10664	4.5
145.10107	20.2
149.09630	4.5
151.11136	4.6
153.12749	6.7
155.08664	2.9
159.11720	2.8
163.11171	34.7
173.09612	3.8
173.11772	14.9
177.12520	3.0
179.39012	2.9
181.12245	8.3
191.10663	7.6
193.12219	3.8
199.13313	8.3
203.98645	2.5
209.11739	20.6
227.12798	16.6
229.14369	48.5
253.14447	4.5
255.15981	5.2
267.15884	7.3
283.08698	4.2
283.15405	100.0
284.15741	4.8
299.14920	4.2
301.16507	16.3
316.08664	2.5
321.83859	2.9
425.25345	4.0
437.25436	26.6
463.27011	3.3
477.28397	4.2
491.26556	9.6
509.27399	82.1
510.27625	4.1
527.28491	55.3
528.29016	5.8
707.32263	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	705.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	17.0
55.01863	13.0
55.05510	39.1
57.03434	12.2
59.04995	3.5
59.95304	2.7
61.02915	3.1
65.03948	3.8
67.05166	5.0
67.05504	62.7
69.03130	3.1
69.03435	37.7
69.07056	22.7
71.04989	14.0
76.28698	3.6
79.05491	48.0
81.03416	100.0
81.07055	59.1
83.04991	29.3
83.08609	16.2
85.02911	12.9
86.09703	3.7
91.05485	37.0
93.07045	59.7
95.04976	16.4
95.08604	49.7
97.02894	27.1
97.06519	13.6
97.10161	19.2
98.19200	3.1
99.04453	13.8
105.07025	33.5
107.04977	11.9
107.08591	36.2
109.02886	18.6
109.06509	4.9
109.10145	22.4
111.04452	16.2
111.08076	7.8
117.07030	19.5
119.08581	28.8
121.06507	2.6
121.10142	25.7
123.08061	5.8
123.11734	7.8
125.09610	12.1
127.03878	15.2
128.06218	3.3
129.05504	4.7
129.07005	13.4
131.08565	28.2
131.91594	3.0
133.06520	4.1
133.09190	2.6
133.10071	15.3
135.11697	21.9
135.94388	3.0
137.05959	3.4
141.06979	4.2
142.07838	2.9
143.08565	12.8
145.06310	3.2
145.10110	29.4
147.08086	4.2
147.11688	16.9
149.06001	3.9
149.09625	3.5
149.13255	8.6
151.11154	4.1
153.09126	5.4
153.12721	21.3
155.08586	7.4
157.10117	11.1
159.11690	15.5
161.09645	4.6
161.13319	5.2
163.11186	20.8
169.10086	8.0
171.11673	7.5
172.37971	3.3
173.04466	38.3
173.09627	7.9
173.13235	10.8
181.12207	15.8
183.11731	6.3
184.07423	4.4
185.13240	4.8
187.14838	5.1
189.11209	7.8
191.10645	19.1
193.12305	3.2
195.11774	6.9
197.13351	4.9
199.14796	3.5
209.11650	8.2
214.41476	3.3
227.12766	36.1
229.53812	5.4
243.21046	3.9
259.20541	4.4
261.22208	8.4
275.20145	4.9
283.15515	18.2
299.24057	4.2
335.25793	21.6
353.16019	6.8
369.24341	5.3
427.19586	8.1
435.27252	3.2
451.31931	8.9
469.33255	4.6
515.37457	7.5
525.36157	15.4
543.36719	58.5
561.37872	9.9
607.43231	10.3
669.40179	3.9
687.40759	25.6
705.41516	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	705.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	14.1
55.01878	13.1
55.05511	34.5
57.03440	14.5
57.07067	4.8
61.02951	2.3
65.03953	2.8
67.05508	60.3
69.03083	1.9
69.03432	28.1
69.07068	16.5
69.42898	3.9
69.43303	12.1
71.04996	12.4
73.02910	2.4
79.05061	3.1
79.05499	46.8
81.03421	100.0
81.06587	3.1
81.07063	63.4
83.04987	27.8
83.08616	20.2
85.02906	11.4
85.06552	3.7
85.89463	1.5
86.09692	4.2
91.05484	35.5
93.07049	50.8
95.04971	13.7
95.08607	37.4
97.02894	27.3
97.06545	7.4
97.10171	13.3
99.04456	11.5
105.07031	30.6
107.04954	9.2
107.08598	29.5
109.02890	23.6
109.06543	6.9
109.10161	20.7
111.04448	22.9
111.08079	10.3
111.11684	1.6
113.00056	1.8
115.05517	2.3
117.07011	18.5
119.08579	28.5
121.06530	3.8
121.10156	22.9
123.08108	3.5
123.11719	7.2
125.06031	2.9
125.09646	12.8
127.03926	15.4
129.05489	3.8
129.06996	10.7
131.08569	24.0
133.06488	3.3
133.10152	18.4
135.08084	4.2
135.11690	21.5
137.09579	2.3
141.07069	3.2
143.08559	10.7
145.06436	3.1
145.10129	25.4
147.08014	2.2
147.11725	12.5
149.09628	5.2
149.13293	4.2
153.09074	2.4
153.12746	18.1
155.08566	6.7
157.10124	9.6
158.07343	1.9
159.11710	13.1
161.09680	2.1
161.13281	7.1
163.11197	21.2
163.14760	1.8
169.10086	3.2
171.10445	1.9
171.11662	10.2
173.04485	38.2
173.09633	5.5
173.13219	9.5
175.11261	3.9
181.10220	3.8
181.12268	17.1
183.11775	2.6
184.07317	11.7
185.07729	2.8
185.13298	5.7
187.11250	2.4
187.14864	4.5
189.11224	7.4
191.10695	14.8
193.12291	5.0
195.08058	1.7
195.11705	2.1
197.13272	3.3
199.11266	2.4
199.14871	3.4
201.12883	2.4
209.11697	4.9
209.13412	2.7
211.13257	4.1
215.14348	2.5
227.12794	39.6
227.14891	3.0
245.13966	2.0
259.20407	2.6
261.22186	9.6
275.20206	1.8
277.21558	2.6
279.23386	2.7
281.22626	2.2
283.15414	18.3
297.22168	2.2
299.23761	7.0
301.16431	4.7
301.21716	2.9
315.23282	2.7
317.24780	4.1
333.24286	2.9
335.25842	19.7
343.22659	2.0
351.23093	2.4
353.15915	8.1
369.24152	4.8
387.25320	3.1
427.19748	14.2
433.30777	3.9
451.31961	7.4
461.29391	2.3
469.33136	6.5
487.34152	3.8
501.35687	3.2
515.37244	5.2
525.35797	12.2
543.36798	60.6
561.37836	6.7
608.25836	4.0
651.38965	2.3
669.39746	4.9
687.41162	18.7
705.42029	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	705.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01868	3.7
55.05509	12.3
57.03436	5.6
57.07066	1.0
59.04990	1.4
61.02927	10.6
61.34268	0.7
63.23560	0.6
65.03950	1.3
67.05502	23.2
69.03426	9.4
69.07066	9.0
70.18409	3.2
71.04993	3.5
73.02911	5.6
77.70420	0.6
79.05492	20.0
81.03415	17.4
81.07054	23.1
83.04975	5.7
83.08623	8.7
85.02906	11.3
85.06538	1.4
85.58221	0.6
86.09686	1.1
87.04446	0.8
91.03951	4.7
91.05479	18.3
93.06470	1.2
93.07040	17.4
95.04982	8.8
95.08603	16.5
97.02892	10.4
97.06520	3.8
97.10168	10.0
99.04469	1.4
99.08096	0.7
101.02381	1.6
104.27288	0.8
105.07032	16.4
107.04971	3.9
107.08592	11.7
109.02881	2.2
109.06525	3.5
109.10153	10.4
111.04443	2.5
111.08086	3.0
113.05997	0.6
113.09633	0.8
115.03941	1.2
115.05479	1.2
117.07024	10.3
119.08574	13.5
121.06494	3.9
121.10139	7.7
123.08070	2.5
123.11700	2.2
125.09615	7.1
127.03922	2.6
128.06232	1.9
129.05511	1.3
129.06999	8.8
130.07817	0.8
131.08566	14.6
133.06493	2.0
133.10143	11.3
135.08064	3.6
135.11697	5.0
137.06006	0.8
137.09610	1.4
139.11122	0.8
141.06985	2.3
142.07796	1.6
143.08563	10.6
145.06532	1.8
145.10129	10.9
147.08089	2.3
147.11674	8.5
149.09613	2.3
149.13266	1.9
151.11143	1.0
153.06918	0.9
153.09123	1.7
153.12700	0.7
155.08546	5.1
157.06505	1.0
157.10135	10.8
159.08081	2.7
159.11687	8.5
161.09695	1.0
161.13234	3.2
163.11214	3.0
165.12764	1.2
167.08589	2.6
168.09354	0.9
169.10138	5.4
171.08063	1.6
171.11671	7.2
173.04482	1.5
173.09628	2.2
173.13242	6.7
175.11151	3.5
175.14844	2.0
177.12808	1.0
179.08609	1.5
181.10146	3.5
183.11703	6.1
184.07368	0.8
185.09663	1.6
185.13266	5.8
187.11208	2.2
187.14828	3.5
189.09462	0.7
189.11249	2.9
189.12744	1.3
191.10661	1.1
193.10484	1.2
193.12308	4.6
195.11726	3.4
197.09679	1.1
197.13290	4.7
199.11259	1.5
199.14886	2.8
201.12776	1.6
201.16385	0.8
207.11775	1.1
209.09743	0.7
209.13326	3.8
211.13268	3.8
211.14919	1.8
213.12848	1.6
213.16443	0.8
215.14404	0.9
217.16119	0.8
221.13214	1.3
223.14876	2.2
225.16476	1.6
227.12599	4.0
229.14276	1.7
235.14876	1.3
239.14246	0.7
241.19469	1.1
243.15912	1.0
245.15437	0.9
247.17059	0.9
259.20575	3.9
267.16116	1.6
273.18689	0.7
275.20145	2.7
283.20618	1.1
285.16910	1.3
287.05826	0.8
295.20584	0.8
297.22153	2.0
299.20370	1.2
299.23776	5.8
301.21631	1.8
311.20071	0.9
315.23264	1.6
321.22000	1.3
325.21671	1.6
327.23453	1.0
329.21042	1.0
333.24347	2.3
343.22708	1.9
351.22961	1.0
353.25021	1.1
357.24319	1.7
371.25839	1.0
403.24924	1.1
415.30243	1.7
417.26175	1.6
421.26035	4.3
423.32379	1.6
429.21088	1.4
433.31058	4.4
435.27597	3.3
441.33740	0.9
451.31995	7.8
469.33096	2.8
515.37115	1.5
525.35693	18.1
541.34766	1.3
543.36798	100.0
544.37250	1.9
551.09839	0.8
555.37549	0.9
567.36713	1.6
585.37787	2.5
609.37543	1.1
627.37457	0.8
633.37512	1.7
639.38770	0.9
651.38873	2.6
669.40356	4.1
687.40894	6.7
705.31970	5.7
705.42688	16.6
720.20978	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32167	2.6
53.03936	13.2
55.01871	15.7
55.05512	36.2
57.03446	15.0
57.07060	3.8
59.04979	4.0
67.05506	68.5
69.03432	33.2
69.07070	22.5
71.04995	13.3
71.58942	2.7
71.59393	3.2
79.05492	48.4
81.03423	100.0
81.06578	4.2
81.07057	70.9
83.04987	30.0
83.08634	19.6
84.52979	3.0
85.02936	15.1
85.06573	3.9
86.09679	3.3
91.05482	41.6
93.07053	58.9
95.04982	16.8
95.08614	47.9
97.02888	27.1
97.06516	10.9
97.10182	18.1
99.04466	12.9
105.07036	33.2
107.04959	8.9
107.08604	40.2
109.02879	21.2
109.06514	9.0
109.10156	25.1
111.04427	23.9
111.08066	11.4
113.05926	2.5
115.05479	2.4
117.07021	22.0
119.08578	25.0
121.06503	7.0
121.10152	26.1
123.08058	5.2
123.11697	9.4
125.09626	13.2
127.03917	15.5
128.06172	3.7
129.07004	11.7
129.90375	2.6
131.08583	28.4
133.10133	19.9
135.08017	4.9
135.11685	28.2
137.09641	4.5
139.07515	3.1
141.06960	3.9
142.07857	3.8
143.08548	11.0
145.06465	4.0
145.10120	29.6
147.08015	3.9
147.11646	13.1
149.09618	4.5
149.13199	7.9
153.09131	2.9
153.12755	16.0
155.08592	9.1
157.10133	9.6
159.07985	4.1
159.11700	17.7
161.13297	5.9
163.11232	22.3
167.08492	3.1
169.10103	7.0
171.11684	9.1
173.04463	33.6
173.09572	6.0
173.13239	8.5
175.11177	3.7
181.10229	6.3
181.12210	13.4
183.11711	6.7
185.13307	5.4
187.14861	4.9
189.11208	7.5
191.10661	11.0
199.14798	3.6
209.11674	10.4
213.12880	3.3
227.12753	34.4
261.22052	8.1
275.19974	7.6
277.21780	2.9
283.15457	23.1
283.20599	3.3
299.23776	4.3
301.16467	4.3
301.21725	3.6
303.23083	3.0
317.24701	3.0
333.24393	2.7
335.25861	25.8
351.23633	3.5
353.15790	6.4
357.24582	3.2
369.24176	7.2
387.25443	4.0
393.26724	2.8
421.47037	3.4
425.27167	3.2
427.19534	11.8
443.27939	3.0
450.21817	2.5
451.31802	5.1
461.28973	3.3
464.84906	2.7
515.37079	4.4
525.35846	14.9
543.36847	61.6
561.37933	8.8
607.43567	3.9
609.97974	3.2
613.35614	2.6
651.39124	4.7
669.39600	5.6
687.40759	23.7
705.41718	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	705.4206
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
53.04165	0.8
55.01864	4.4
55.05265	1.0
55.05512	17.5
57.03439	6.9
57.07062	1.3
59.76333	0.8
59.84086	0.8
61.02918	9.9
65.03943	1.1
67.05503	28.5
69.03432	10.8
69.07064	7.0
70.54214	2.3
71.01311	1.0
71.04978	3.6
72.71991	0.7
73.02906	5.0
79.05490	23.7
81.03412	24.7
81.06581	1.5
81.07056	27.0
82.30412	0.7
83.04978	6.7
83.08617	10.2
85.02908	10.8
85.06538	2.2
87.04478	0.9
91.03971	5.2
91.05482	21.4
93.07043	21.6
93.26483	0.7
95.04968	11.4
95.08603	16.0
96.89745	0.7
97.02894	11.0
97.06522	4.0
97.10166	11.5
99.04441	2.7
99.08088	1.2
101.02347	1.6
103.03970	0.8
103.05461	0.8
105.07027	17.8
107.04945	6.4
107.08595	13.2
108.09008	0.9
109.02863	2.8
109.06504	3.6
109.10147	10.4
111.04424	2.8
111.08087	5.4
115.05421	1.8
117.07009	11.5
119.04926	0.8
119.08578	13.8
121.06527	4.9
121.10136	8.2
123.04436	0.9
123.08051	3.2
123.11682	2.4
125.09639	8.0
127.03910	3.3
128.06255	1.2
129.05507	1.5
129.07024	7.9
130.07790	0.8
131.04924	1.3
131.08563	13.8
133.06477	2.9
133.10115	11.1
135.08086	4.2
135.11682	5.0
137.09628	1.9
139.11183	0.8
141.06964	2.6
142.07756	1.2
143.08556	7.7
145.06479	2.9
145.10098	12.4
147.08057	3.2
147.11647	8.9
149.09627	4.1
149.13203	2.5
153.09067	1.6
153.12686	0.9
155.08536	6.5
155.60980	0.8
156.09282	1.1
157.06450	1.4
157.10133	8.6
159.08049	2.5
159.11688	9.5
161.09616	2.5
161.13263	3.2
163.11189	3.2
167.08554	2.2
169.10144	6.0
169.28949	0.8
171.08038	2.7
171.11673	7.2
173.04451	2.3
173.09621	2.4
173.11847	1.6
173.13266	5.4
175.11182	3.5
175.14806	2.7
177.12718	1.5
179.08565	1.4
181.10089	2.8
181.12146	1.3
183.11746	4.8
184.07318	1.2
185.09598	1.8
185.13284	5.7
187.11179	2.6
187.14828	2.3
189.09592	0.7
189.11227	4.7
189.12735	1.3
191.10626	1.4
191.14307	0.9
193.10500	1.3
193.12231	7.2
195.11650	2.1
197.09523	1.0
197.13210	3.1
199.11159	2.6
199.14803	3.0
207.11673	2.2
209.13321	3.4
211.11304	1.4
211.13200	7.7
211.14937	1.2
213.12679	1.4
213.16432	1.4
215.17882	0.8
221.13240	2.0
223.14749	1.9
225.16356	1.0
227.12648	4.9
229.14377	2.1
237.12766	1.1
239.14389	1.2
241.15855	0.9
241.19501	1.9
243.15910	1.0
245.13463	0.9
257.18927	1.4
259.20547	6.8
267.15881	6.3
275.20099	2.3
283.15497	1.6
283.20544	2.2
285.16953	2.5
291.19714	1.1
297.22156	1.2
299.20602	1.0
299.23663	5.3
301.21561	1.7
315.23221	1.0
325.21561	1.6
329.20871	1.2
333.24185	3.1
339.23239	2.0
343.22620	1.2
351.23114	1.3
357.24054	1.8
367.22684	2.2
385.23590	2.3
403.24567	2.3
407.24304	0.9
415.29742	2.3
421.26099	5.0
423.32187	0.8
429.21344	1.8
433.31073	4.6
435.27512	5.1
451.32144	7.0
459.27371	6.3
469.33090	2.5
477.28384	3.3
507.34985	2.3
525.35785	21.5
541.34839	1.7
543.36804	100.0
544.37152	3.2
555.36597	1.5
559.35016	1.1
561.37592	1.8
567.36353	1.6
585.37622	2.9
627.38025	1.0
651.38751	4.4
669.40009	6.5
687.41174	8.3
705.41974	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	705.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91877	1.0
53.03942	4.1
55.01867	4.3
55.05257	1.6
55.05511	18.3
57.03439	7.7
60.48649	0.9
61.02924	11.9
65.03943	1.7
67.05505	28.4
69.03432	11.0
69.07066	8.8
71.04985	4.4
71.91910	1.0
73.02924	6.6
77.89660	1.1
79.05492	19.4
81.03416	23.8
81.07056	27.4
83.04978	6.4
83.08627	9.8
85.02904	12.4
85.06543	1.8
86.09743	1.3
91.03955	4.3
91.05480	20.4
93.07040	20.7
95.04967	11.6
95.08611	16.7
97.02907	10.6
97.06525	3.9
97.10171	11.4
99.04443	2.3
99.08075	1.8
101.02407	1.6
105.07030	18.1
107.04946	3.7
107.08604	14.5
109.02891	4.1
109.06516	4.7
109.10158	10.5
111.04465	3.0
111.08096	4.8
113.06037	1.2
115.03956	1.2
117.07005	10.0
119.08588	17.1
121.06499	5.2
121.10161	11.1
123.08061	3.3
123.11710	1.9
125.09642	7.2
127.03944	3.5
128.06223	1.8
129.06999	9.9
131.08569	16.1
133.06474	3.0
133.10127	12.5
135.08075	5.0
135.10799	1.0
135.11713	4.8
137.09634	1.9
139.11125	0.9
141.06984	2.3
142.07784	1.5
143.08545	9.8
145.05064	1.0
145.06491	2.7
145.10127	15.8
147.04321	1.3
147.08064	3.7
147.11700	9.6
149.09622	3.4
149.13295	1.8
154.07614	1.1
155.08559	4.9
157.06491	2.0
157.10143	10.8
158.59567	1.2
159.08051	3.4
159.11699	11.1
161.09578	2.9
161.13271	3.6
163.11172	2.9
165.12708	1.7
167.08577	2.5
169.10130	5.7
171.08124	2.6
171.11685	8.2
173.09599	3.4
173.13237	6.5
175.11192	4.0
175.14844	1.1
181.10127	4.0
181.12296	1.4
183.11676	4.3
185.09679	2.1
185.13304	5.2
187.11197	2.0
187.14764	2.7
189.11223	3.2
189.12770	2.4
191.10669	1.9
193.10657	1.0
193.12219	6.9
195.11728	3.7
197.13290	2.9
199.14812	3.7
201.12918	1.1
207.11722	1.6
209.13300	1.9
211.13185	8.5
211.14978	1.4
213.16380	1.5
221.13232	1.4
227.12828	4.1
229.14264	1.3
237.12744	1.1
237.16406	1.3
240.55894	1.2
241.19553	2.7
247.16756	1.3
257.19055	1.4
259.20602	5.8
267.15887	10.5
275.20200	1.3
283.15460	1.4
283.20770	1.7
285.17230	2.9
297.22281	1.8
299.20502	1.5
299.23672	4.7
301.21674	1.2
313.21558	2.3
315.23068	1.9
329.21161	1.8
333.24219	3.3
339.23312	2.2
343.22928	1.5
354.99179	1.0
357.24393	2.3
367.17654	1.0
367.22635	2.8
371.25784	1.6
385.24057	2.2
403.24823	2.3
404.10800	1.1
415.30023	1.5
421.25748	4.0
429.20309	1.6
433.31049	4.4
435.27414	4.2
451.32068	8.3
459.27417	9.5
469.33014	2.3
477.28589	5.9
507.34589	1.9
515.36865	1.1
525.35760	18.6
526.35510	1.1
541.35291	2.1
543.36823	100.0
544.37134	4.0
585.37451	2.1
609.37897	1.4
633.38159	2.2
651.38788	5.1
669.39709	4.3
687.41449	9.3
705.42194	20.6
706.42023	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	704.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	0.2
56.05029	0.4
57.07066	0.3
58.06621	0.4
58.78056	0.2
60.08163	6.5
67.05490	0.6
68.19415	0.1
69.07057	0.3
70.01654	0.9
70.06573	0.2
71.07372	2.5
79.05480	0.3
81.03422	0.2
81.07059	0.5
86.09705	28.9
87.10019	0.4
91.05478	0.3
93.07033	0.4
95.08600	0.3
97.10229	0.2
98.21378	0.2
98.98466	2.7
100.78344	0.2
104.10748	2.0
105.07018	0.3
125.00005	17.6
126.50432	0.2
128.39557	0.2
133.10185	0.2
143.01059	0.2
147.11636	0.2
151.11143	0.2
166.02628	0.3
170.75217	0.2
184.07339	100.0
185.07707	0.9
231.52338	0.2
248.95999	0.2
253.14400	0.5
282.31290	0.2
311.25836	0.2
357.32813	0.2
451.86182	0.2
704.44989	7.6
705.45227	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	703.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07034	1.4
50.49538	1.4
53.03933	6.2
55.01867	6.0
55.05307	1.8
55.05516	20.8
57.03434	10.1
57.07062	2.4
61.02932	9.2
63.67720	1.9
65.03925	1.8
67.05503	37.0
69.03431	15.4
69.07067	13.6
71.01340	1.6
71.04984	6.1
73.02901	5.8
79.05492	25.0
81.02978	2.7
81.03423	35.4
81.07056	28.3
83.01353	2.0
83.04983	9.2
83.08629	11.3
85.02906	15.4
85.06562	1.9
88.18317	2.1
91.03941	5.5
91.05489	20.4
93.07044	26.7
95.04963	14.7
95.08606	16.1
97.02895	15.5
97.06522	5.1
97.10162	14.5
99.04456	5.8
99.79958	1.5
101.02357	1.6
105.07027	22.4
107.04948	7.2
107.08604	17.6
109.02870	6.7
109.06509	6.5
109.10183	9.0
111.04436	6.2
111.08052	2.8
115.05453	3.1
117.07024	12.1
117.07716	1.9
119.08597	15.9
121.06491	4.7
121.10156	9.1
125.09661	11.4
127.03908	6.5
127.08411	1.8
128.06221	3.0
129.07036	10.8
130.07840	2.0
131.08562	16.5
133.06526	3.2
133.10161	9.9
135.08002	3.0
135.11662	5.4
141.06973	5.5
142.07715	2.5
143.08578	12.0
145.06529	3.7
145.10120	18.3
146.10345	1.7
147.08058	4.2
147.11662	6.1
147.29439	1.7
149.09653	4.3
155.07384	1.6
155.08553	9.2
157.10130	11.9
159.08031	2.7
159.11702	9.4
161.09589	4.6
161.13210	2.9
163.11142	5.3
167.08521	4.4
169.06595	1.7
169.10106	8.6
170.27112	1.6
171.08060	2.6
171.11716	7.9
173.04485	16.4
173.09601	3.7
173.13280	5.2
175.11174	2.0
179.08536	2.9
180.09236	1.6
181.08652	1.6
181.10126	6.7
181.12198	3.0
183.07974	2.3
183.11702	7.7
185.09602	5.3
185.13260	6.5
187.11150	1.7
187.14937	2.1
189.11195	6.4
191.10574	2.7
193.10094	2.0
195.11714	5.2
197.13287	5.0
199.11209	3.2
199.14807	3.8
207.11678	3.3
209.13335	2.5
211.11052	2.0
221.13295	3.0
227.12697	11.9
235.14845	3.1
239.14156	1.9
241.19524	2.4
254.17384	2.4
255.17630	2.0
257.19128	2.7
259.20639	2.9
275.20084	5.8
283.15506	6.4
291.19568	6.0
295.20282	2.2
297.22092	8.3
299.19659	2.1
333.14816	2.4
367.22626	2.3
431.29117	3.7
449.30344	5.4
467.31534	5.2
513.35376	2.3
523.34125	13.9
541.35266	100.0
542.36615	2.5
547.15729	1.9
559.35840	6.8
583.36188	3.3
649.37109	4.0
667.38165	5.3
685.39569	11.6
703.40363	41.7
704.40521	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	703.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94009	2.2
53.03946	5.5
55.01868	5.6
55.05515	21.2
57.03432	6.7
61.02916	7.4
67.05505	37.5
69.03432	18.1
69.07053	14.2
70.04552	7.3
70.04957	6.6
71.04979	4.2
73.02909	6.3
77.58360	2.7
79.05486	28.2
81.03419	33.6
81.07053	33.5
83.04969	6.6
83.08607	12.1
85.02896	10.2
85.06535	5.0
91.03931	4.0
91.05471	26.9
93.07055	24.8
95.04969	11.8
95.08599	18.1
97.02887	12.2
97.06532	8.7
97.10137	12.7
99.04436	3.2
105.07030	25.2
107.04942	6.1
107.08605	19.2
109.02857	4.8
109.06492	5.7
109.10133	9.9
111.08050	3.1
117.07022	15.1
119.08563	22.4
121.06491	6.2
121.10144	11.8
123.08045	5.2
125.09617	9.8
127.03915	6.9
128.06187	5.1
129.07022	7.6
131.08548	16.2
133.10124	14.3
135.08046	6.6
135.11656	8.0
137.09619	3.5
140.50012	2.6
141.07005	5.4
143.08557	13.5
145.06471	3.9
145.10135	12.9
147.08047	3.6
147.11783	5.9
149.09619	4.8
149.13269	3.8
155.08583	7.5
157.10081	10.5
159.07947	4.6
159.11653	7.7
163.11151	3.2
165.12801	2.6
167.08485	4.0
169.10184	6.4
171.11659	8.7
173.04422	4.9
173.09619	4.3
173.13251	5.4
175.11177	4.0
181.10117	5.8
183.08105	2.6
183.11693	6.5
184.07234	3.4
185.09683	3.1
185.13290	7.7
187.14760	2.5
189.11191	5.6
191.10652	3.4
193.10182	3.4
195.11737	7.3
197.13271	3.7
199.11142	4.2
207.11754	3.0
209.13287	4.4
211.11302	3.4
211.13084	3.6
211.14893	3.6
218.88065	2.7
221.13280	2.7
227.12730	7.1
275.20081	6.2
291.19440	3.7
297.22073	7.6
431.29251	4.7
449.30313	4.2
467.31421	4.0
485.31979	2.8
523.34106	14.2
541.35205	100.0
542.35730	3.1
559.35974	3.1
667.38129	3.7
685.38770	8.1
690.88922	3.2
703.39929	41.9
704.40765	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	700.3704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.3
71.06168	0.6
72.08147	0.5
79.05499	0.4
81.03419	0.5
81.07049	0.4
84.08141	0.3
86.09704	53.3
87.10028	0.3
91.03971	0.3
91.05471	2.8
93.07042	2.8
95.04966	1.0
95.08636	0.3
96.08124	0.7
103.05468	7.3
105.03380	3.1
105.07006	0.5
106.06573	0.4
109.06497	0.2
113.10753	2.6
114.09174	0.2
118.06520	0.8
119.04919	0.4
120.08102	100.0
121.02947	0.3
121.08449	1.4
127.03930	0.5
131.11861	0.4
134.06004	0.7
138.58713	0.2
141.10214	1.6
141.42465	0.3
146.06039	0.7
153.10262	0.5
154.15913	2.0
154.96783	0.3
165.07002	0.4
167.08580	1.2
168.32271	0.3
178.07800	1.0
179.08549	0.3
181.17026	1.3
182.12885	1.6
191.08571	0.3
193.10088	1.7
195.08060	0.9
197.16502	1.0
198.19630	1.7
199.18050	6.8
203.08594	0.4
207.08029	0.6
208.08867	0.4
208.11256	0.3
209.09610	0.7
209.16484	0.4
219.08109	0.5
221.09555	1.3
223.07545	1.5
224.10698	1.2
225.09166	0.6
225.11519	2.4
225.18343	1.6
226.19125	10.0
227.17520	2.6
229.13451	0.4
236.10683	2.5
237.09157	0.4
237.11427	0.5
238.12262	3.2
240.10193	0.7
243.06413	0.5
244.20186	0.3
246.09073	0.5
247.07507	0.8
248.10771	0.4
251.07132	0.4
252.12590	0.3
253.13348	3.5
254.11740	1.8
255.14896	0.3
264.10159	2.2
265.08563	0.4
265.13412	0.5
267.10095	0.5
282.11203	4.4
284.12796	0.5
285.10181	0.5
286.10345	0.4
299.13898	17.1
309.12460	0.4
310.10727	2.0
311.13992	1.3
324.11298	0.4
326.15027	0.4
355.17923	0.7
362.17172	0.3
370.21234	4.6
371.22073	0.4
377.18549	0.4
379.20270	0.3
381.79712	0.2
394.21533	0.2
398.23111	0.7
401.18323	0.6
411.17194	0.4
431.19855	1.0
438.18298	0.4
440.21878	0.4
444.23880	0.6
446.20752	15.3
447.21423	0.6
457.17603	11.1
470.48068	0.3
474.20313	2.9
489.22446	0.3
489.28717	1.4
490.27048	0.5
507.29459	0.6
518.26465	0.3
535.29169	9.2
543.29828	0.3
553.30237	2.9
563.28668	0.4
587.19250	0.4
587.28619	7.3
591.30554	4.4
615.27533	0.3
621.34821	0.4
636.36035	0.6
654.36279	1.7
656.37830	3.1
682.35950	23.5
683.36444	0.8
700.36981	15.7
701.36865	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.87634	0.6
55.05509	1.2
58.30155	0.7
67.05495	2.4
72.66115	0.5
72.68156	0.6
78.51223	0.5
79.05495	1.7
81.03413	1.2
81.07041	0.9
81.29171	0.6
82.45631	0.6
87.04456	0.6
91.05480	1.2
93.07024	1.0
95.08575	0.8
107.08607	1.3
109.10169	0.9
129.05629	0.8
133.10155	0.7
171.11728	0.6
174.34476	0.7
229.27399	0.7
301.19974	1.3
314.59134	0.7
327.10376	0.7
347.09442	0.9
389.25946	0.6
470.48990	0.6
537.30353	15.1
538.30865	0.7
658.57996	0.6
689.67072	0.7
699.35553	100.0
700.36157	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	699.3561
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52872	0.2
52.77564	0.2
54.11654	0.2
55.01880	0.2
55.05503	0.3
57.03432	0.3
65.12077	0.2
67.05500	1.3
69.03428	0.2
69.07078	0.2
71.18981	0.2
71.19331	0.4
72.01998	0.2
79.05492	0.5
81.03415	0.6
81.07058	0.7
85.02904	0.3
90.28545	0.2
91.05474	0.5
93.07057	0.6
95.04967	0.3
95.08612	0.6
97.02910	0.3
97.10225	0.3
104.76526	0.2
105.07032	0.5
107.08626	0.4
107.49891	0.2
109.10148	0.3
119.08601	0.3
121.10150	0.3
121.72454	0.2
131.08598	0.2
133.03465	0.3
145.10121	0.2
152.98375	0.2
161.03043	0.4
169.10176	0.2
173.02928	0.3
185.04283	0.7
203.05312	1.4
209.62547	0.2
245.05063	0.3
259.07974	1.0
275.07211	0.2
277.24161	0.2
284.52542	0.2
301.20062	0.9
305.08035	0.4
319.21231	0.3
347.09525	1.5
355.01779	0.2
360.66287	0.3
365.10596	2.9
393.24469	0.2
421.13022	1.0
467.75427	0.2
537.30347	17.9
538.30981	0.9
595.33118	0.2
595.82410	0.2
699.35577	100.0
700.35864	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	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.6
55.05505	1.6
56.96568	0.4
57.03431	1.8
57.07062	0.4
57.61027	0.5
61.02922	3.1
67.05512	3.8
69.03440	2.5
69.07069	1.4
71.01357	0.6
71.04988	1.5
71.60349	0.6
73.02916	2.2
74.07391	0.4
79.05488	3.4
81.03419	3.5
81.07069	3.3
83.04996	1.0
83.08648	0.6
85.02900	3.0
85.06532	0.8
87.04478	0.8
91.03945	2.3
91.05463	2.4
93.07034	3.4
95.04969	1.7
95.08592	1.3
95.75111	0.4
97.02894	2.9
97.06538	1.1
97.10233	0.9
98.59235	0.4
99.04469	0.7
99.08112	0.4
101.02401	1.0
105.07062	1.3
107.04964	0.9
107.08567	2.4
109.02879	0.4
109.06526	0.8
109.10173	0.9
111.04444	0.6
111.08085	0.7
119.08637	2.0
121.06478	0.5
121.10164	1.5
127.03925	1.6
129.07016	1.0
131.08591	0.8
133.10153	1.6
135.11682	2.6
137.05995	0.7
145.10136	1.1
147.11670	1.1
149.09647	1.5
153.12694	0.6
157.10149	0.8
158.72986	0.4
163.11244	1.0
173.09705	0.5
175.11192	0.7
181.12189	0.6
184.98672	0.4
193.12228	1.9
221.11537	0.8
243.08502	2.2
253.14270	0.5
255.15916	0.5
267.15930	0.7
283.15222	3.6
285.10098	0.5
332.98975	0.5
339.17725	1.0
439.19406	10.1
440.20059	0.6
469.21088	0.8
471.22467	0.4
501.23071	9.3
501.30344	0.6
502.23621	0.5
537.30939	0.7
557.67993	0.5
624.70551	0.5
699.35602	100.0
700.36176	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	699.3382
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	0.8
57.07071	1.6
67.05499	1.2
69.55801	0.4
79.05486	1.1
81.07037	1.2
85.02430	0.4
85.06543	1.7
86.09711	13.3
88.13097	0.4
91.05473	3.5
93.07044	3.3
95.04981	1.5
95.08640	0.5
103.05470	8.5
105.03398	6.8
105.07005	0.6
107.08633	0.5
109.10139	0.9
115.05414	0.5
118.06554	1.3
120.08109	100.0
121.08395	0.4
130.06555	0.5
131.04915	0.5
133.10138	0.5
134.05983	0.7
146.06004	0.5
157.10205	0.4
165.07088	0.5
167.08586	2.7
171.37123	0.5
178.07767	4.2
179.08615	0.6
181.10101	0.6
191.08624	1.0
193.10129	4.6
195.08076	1.0
196.11322	0.5
198.14867	1.4
203.08609	1.2
207.08072	1.0
208.08891	1.0
208.11195	0.7
209.09708	1.2
219.08125	1.2
220.11220	0.7
221.09647	1.6
223.07521	3.2
224.10735	1.8
225.11412	3.0
236.10727	4.3
238.12230	3.6
240.10271	1.7
246.09224	0.9
251.07191	0.5
253.13362	7.9
254.11810	3.3
264.10233	5.8
265.08548	0.5
282.11240	9.3
299.13907	32.6
300.14377	0.4
310.10718	4.7
377.18564	0.5
411.17236	0.5
446.20764	41.1
447.21240	0.8
457.17606	4.5
474.20105	0.9
485.10556	0.6
506.26279	2.1
552.27039	7.5
573.32141	0.5
637.33606	0.5
653.33282	11.6
655.34961	2.8
671.34357	5.1
681.32477	4.7
699.33917	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	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01860	0.4
55.05510	0.9
57.03442	1.6
58.34127	0.1
61.02927	4.3
67.05505	1.8
69.03427	2.2
69.07068	0.6
69.53572	0.4
69.53996	0.7
71.01349	0.4
71.04997	0.6
73.02919	2.6
79.05496	2.0
81.02925	0.2
81.03416	5.2
81.07058	2.2
83.04981	1.1
83.08618	1.5
85.02905	5.7
87.04482	0.3
91.03947	2.6
91.05476	3.1
93.07040	1.6
95.04968	1.9
95.08609	0.7
96.24550	0.1
97.02891	3.2
97.06546	0.3
97.10165	0.2
99.04460	0.7
101.02380	1.5
103.03929	0.3
105.07033	2.2
107.04961	0.6
107.08590	0.5
109.02879	0.6
109.06529	0.5
109.10163	0.3
111.04417	0.2
111.08098	0.6
113.06013	0.2
115.03933	0.4
119.08580	1.5
121.09419	0.1
121.10141	0.8
123.08051	0.2
123.11722	0.2
127.03930	1.5
128.06339	0.1
129.07021	0.7
131.08549	1.1
133.06500	0.2
133.10147	1.4
137.09624	0.2
142.07761	0.2
145.04961	0.3
145.10187	0.3
147.08034	0.2
147.11679	1.6
149.09616	0.8
157.10129	1.5
163.11252	0.3
165.12772	0.3
175.11182	1.5
179.77040	0.1
185.04247	0.5
193.12254	2.3
203.05301	0.5
211.13289	1.3
243.08426	1.9
251.12578	1.7
259.07980	0.2
269.12363	0.2
271.08313	0.3
285.10010	0.2
285.17056	0.5
289.09421	0.6
307.15295	0.8
359.15451	0.6
359.65588	0.3
469.20459	13.1
470.20789	0.3
470.56531	0.2
477.44327	0.1
535.28711	0.2
697.34009	100.0
698.34503	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	697.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
55.01867	0.6
55.05512	1.2
57.03439	1.4
61.02640	0.3
61.02927	3.5
65.03928	0.3
67.05220	0.3
67.05508	2.4
69.03429	2.4
69.07070	0.9
71.04989	0.9
73.02614	0.2
73.02926	2.2
79.05478	2.0
81.03421	5.9
81.07059	2.8
83.04974	1.4
83.08620	1.9
83.68285	0.2
85.02902	6.1
91.03952	2.9
91.05489	3.3
93.07037	1.5
95.04964	2.5
95.08603	1.3
97.02890	3.2
97.06516	0.5
97.10180	0.4
98.21530	0.4
99.04449	0.9
101.02390	1.4
103.03977	0.2
105.07030	2.2
107.04968	0.7
107.08611	1.2
109.02879	0.7
109.06510	0.7
109.10135	0.8
111.04443	0.3
111.08096	1.0
113.06024	0.2
115.03943	0.3
117.07037	0.2
119.08559	2.2
121.10106	1.1
123.08064	0.4
123.11701	0.3
125.82113	0.2
127.03957	1.1
128.85980	0.2
129.06976	1.0
131.08553	1.1
133.10143	1.4
137.09654	0.3
145.04988	0.3
145.10229	0.5
147.08061	0.3
147.11694	1.6
149.09618	0.7
151.11150	0.2
157.10124	1.1
163.11226	0.4
165.12784	0.5
174.08640	0.2
175.11169	1.7
185.04250	0.4
193.12254	3.7
203.05421	0.3
211.13318	1.9
220.87187	0.2
221.11488	0.5
229.71719	0.2
243.08333	2.2
251.12556	4.2
262.51093	0.2
269.12411	0.5
285.10187	0.5
285.17093	0.6
307.15298	1.4
405.69580	0.2
469.20438	15.3
470.20807	0.7
482.28131	0.2
535.28778	0.5
599.51074	0.3
697.33997	100.0
698.34363	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	697.1605
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03911	0.1
55.01850	0.2
57.03399	0.4
59.24224	0.1
60.12808	0.1
61.02892	0.3
64.80077	0.1
67.01832	0.2
68.99786	0.3
69.03431	1.5
69.55855	0.1
70.03818	0.5
70.06564	0.3
71.04954	0.2
73.02887	0.3
79.05502	0.1
81.03423	1.4
85.02906	2.4
86.09662	0.1
87.00788	0.3
87.04502	0.1
93.63401	0.1
97.02889	0.9
98.21422	0.2
99.04420	0.4
101.02396	0.1
103.03966	0.1
105.01848	0.2
107.08543	0.1
109.02881	1.1
117.03394	0.1
121.10152	0.1
127.03911	1.6
128.40045	0.1
129.01788	0.2
129.10254	0.1
135.04408	0.9
137.02310	0.2
137.06012	0.1
140.07037	0.1
144.49834	0.1
145.04970	0.5
153.01826	2.9
155.49539	0.1
156.06560	0.1
159.02873	0.2
161.02350	0.4
161.06046	0.1
171.02859	0.6
179.03386	0.2
187.05940	0.2
189.00563	0.1
213.03894	0.2
241.04906	0.3
258.05310	0.2
259.05963	0.2
259.10886	0.1
263.05466	0.1
269.04456	0.2
286.04706	0.5
287.05490	100.0
288.05826	3.2
297.03784	0.1
301.11795	0.2
319.12805	0.1
329.06741	0.3
337.13757	0.1
363.15280	0.1
449.10797	16.7
450.11163	0.7
485.01526	0.1
491.11850	2.6
517.09833	1.5
535.10828	17.8
536.11304	0.8
611.16028	0.9
647.22748	0.1
653.16534	0.1
697.15833	1.2
697.26794	1.7
697.86902	0.1
698.16608	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	697.1608
Annotation	Kaempferol 3-(6''-malonylglucoside)-7-glucoside
Peak:m/z	Relative Intensity
53.03929	0.1
53.50207	0.1
57.03423	0.2
58.29988	0.1
61.02903	0.2
63.24973	0.1
67.01849	0.2
68.99470	0.1
68.99792	0.2
69.03429	1.0
69.43820	0.2
69.44220	0.8
70.06559	0.3
70.17958	0.1
71.04986	0.2
79.05452	0.1
81.03425	0.9
81.07050	0.1
84.08119	0.1
85.02907	1.3
86.09698	0.2
87.00820	0.2
95.08576	0.1
97.02879	0.5
99.04428	0.3
107.04944	0.1
109.02891	0.6
110.07112	0.1
116.98585	0.1
117.03289	0.1
120.08081	0.1
127.03915	0.8
135.04414	1.0
136.07570	0.1
137.02306	0.3
139.05421	0.1
145.04895	0.2
153.01830	2.8
159.02888	0.2
161.02328	0.4
164.07047	0.1
171.02899	0.5
179.03323	0.2
182.50378	0.1
203.03339	0.1
241.04965	0.2
249.10291	0.1
258.05255	0.2
259.06055	0.2
261.48636	0.1
269.04453	0.3
270.04907	0.1
271.05927	0.2
282.30917	0.1
286.04739	0.4
287.05493	100.0
288.05820	3.1
301.11890	0.1
333.11908	0.2
347.15518	0.1
449.10806	26.4
450.11047	0.8
491.11902	1.6
510.35403	0.1
517.09827	0.7
531.36554	0.1
535.10815	9.6
536.11407	0.5
577.94922	0.1
611.15948	1.2
612.16321	0.1
647.22357	0.2
653.16986	0.2
679.14386	0.2
679.25659	0.2
697.15887	3.2
697.26947	2.3
698.16724	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	695.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13563	0.5
55.01876	1.1
55.05516	2.5
56.96561	0.8
57.03436	1.7
61.02937	3.1
67.05511	7.3
67.71432	0.5
69.03442	3.2
69.07072	2.3
70.04562	2.7
71.04995	2.1
73.02905	2.7
79.05496	4.4
81.03415	5.5
81.07061	5.4
82.03764	0.6
83.04987	2.0
83.08612	2.7
85.02907	5.6
85.06526	0.5
91.03956	1.8
91.05483	5.6
92.05830	0.6
93.07048	4.8
95.04977	3.5
95.08604	3.2
97.02888	4.1
97.06547	1.5
98.20759	0.7
99.04486	1.3
101.02380	1.1
105.07038	4.1
107.04971	1.7
107.08606	2.6
109.02856	0.9
109.06516	1.0
109.10168	4.3
110.10488	0.7
111.04424	0.6
111.08072	1.0
117.07021	1.5
119.08617	2.9
121.10163	1.7
121.54920	0.5
123.11744	0.6
125.04885	0.5
125.09670	0.6
127.03923	1.4
129.07031	1.7
131.08565	1.6
133.06544	0.7
133.10146	2.4
135.08067	0.9
135.11682	3.3
137.09598	0.7
145.10159	2.2
147.08156	0.6
147.11694	1.7
148.12016	0.5
157.10121	1.1
163.11176	4.0
165.12726	0.6
165.95628	0.5
175.11238	1.7
181.12207	1.0
185.07639	0.5
193.12291	2.9
194.12553	0.5
211.13339	1.9
227.12883	2.2
243.08412	2.4
249.11034	4.7
251.12741	2.5
255.15860	0.9
267.15970	0.8
268.16241	0.9
269.12515	0.8
285.10120	1.1
285.17007	1.2
286.17343	0.6
287.18561	0.8
291.19745	0.6
295.11365	0.5
305.13708	1.2
307.15390	1.0
347.05814	0.5
358.99789	0.6
421.25781	0.7
422.26349	1.6
439.26917	2.0
440.27325	3.4
447.27628	0.6
448.27704	2.3
465.28781	1.7
466.28653	2.9
467.18948	10.0
467.25229	0.7
469.20453	11.6
470.20511	0.7
480.30536	0.7
497.31183	1.1
498.31570	2.7
695.32446	100.0
696.32880	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	695.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01875	0.7
55.05513	1.7
57.03438	2.5
61.02936	4.0
62.95798	0.5
67.05513	4.9
68.05824	1.0
68.77534	0.4
69.03424	3.0
69.07062	1.2
69.53431	4.1
71.01341	0.6
71.04989	1.6
73.02928	2.8
79.05503	3.8
81.03418	6.5
81.07051	5.0
83.01360	0.8
83.04977	2.2
83.08611	2.8
85.02428	0.6
85.02912	6.0
85.06529	0.8
86.09737	0.6
86.18493	0.5
87.04465	0.7
91.03956	3.1
91.05482	3.7
93.07037	4.3
95.04970	3.1
95.08607	1.8
95.63371	0.5
96.37688	0.4
97.02887	4.1
97.06519	0.9
97.10185	0.6
98.20811	0.9
99.04467	1.0
101.02385	1.9
103.03964	0.5
105.07037	2.4
107.04963	1.6
107.08607	2.2
109.02918	1.1
109.06513	1.2
109.10175	2.8
111.08113	0.8
113.05970	0.6
117.07044	1.1
119.08580	2.9
121.06528	0.4
121.10142	2.3
123.08121	1.0
125.09620	0.5
127.03931	1.3
129.07027	1.3
131.08586	1.3
133.10129	2.6
135.08109	0.7
135.11720	1.5
137.05904	0.5
145.04924	0.5
145.10092	2.4
147.11719	0.9
149.09634	0.6
151.07578	0.7
152.39868	0.4
157.10149	1.3
163.11194	2.4
175.11177	0.8
181.12268	0.6
184.07420	0.6
185.00317	0.4
185.04329	0.4
193.12317	1.8
211.13252	1.2
227.12814	0.8
243.08449	1.9
246.71637	0.5
249.11049	1.3
267.16000	1.2
269.12454	1.1
283.08569	0.6
283.15588	1.0
285.10199	1.4
285.17068	1.1
307.15262	0.5
308.11661	0.6
372.16464	0.6
439.26880	0.7
440.27460	1.4
448.27896	1.1
466.28845	1.4
467.18915	8.1
469.20413	6.8
477.73486	0.5
498.31165	0.9
695.32434	100.0
696.32874	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01860	1.0
55.05266	0.4
55.05503	2.5
56.96561	0.4
57.03447	2.2
57.07058	0.4
58.71323	0.4
59.04997	0.4
61.02928	4.2
65.03923	0.4
67.05231	0.4
67.05508	5.2
69.03432	3.1
69.07061	0.9
71.01369	0.4
71.04995	2.1
73.02918	3.1
79.05491	5.0
81.03417	5.0
81.07056	4.5
82.03751	0.5
83.04968	2.0
83.08628	1.8
84.61893	0.3
85.02901	7.1
87.04425	0.6
88.00175	0.4
91.03962	2.7
91.05479	4.0
92.05784	0.5
93.07048	3.5
94.07381	0.5
95.04971	2.8
95.08604	1.7
97.02898	5.3
97.06541	1.0
97.10167	0.6
99.04460	0.8
101.02381	1.2
103.03905	0.4
105.07042	2.1
107.04974	1.5
107.08566	2.1
108.25673	0.3
109.02895	1.0
109.06493	0.9
109.10159	2.7
110.10500	0.6
111.04426	0.6
111.08091	1.0
116.83535	0.4
117.07017	1.0
119.08573	2.9
121.06499	0.6
121.10101	1.8
123.08043	1.2
127.03918	1.9
129.07021	1.4
131.08583	1.3
133.10091	1.9
135.08080	0.8
135.11687	1.3
137.05998	0.6
137.09641	0.6
145.04930	0.4
145.10124	1.3
147.11682	2.2
149.09607	0.9
157.10168	0.9
163.11124	1.8
175.11208	1.1
177.00807	0.4
181.12193	0.6
185.04230	0.6
191.10664	0.6
193.12286	2.4
193.13802	0.4
211.13248	1.9
212.13663	0.8
243.08408	2.3
249.10970	0.7
251.12788	0.8
267.15884	0.5
268.16208	0.7
269.12387	0.8
283.15536	1.1
285.09906	0.8
285.16995	0.8
286.17307	0.5
287.18564	0.5
307.14932	0.5
422.26260	1.0
439.26846	1.0
440.27393	1.3
448.27917	1.3
451.19455	0.5
454.28979	0.5
462.29218	0.8
465.28796	0.5
466.28763	1.1
467.18915	5.5
469.20416	7.1
470.20612	0.6
498.31360	1.4
695.32385	100.0
696.32751	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	695.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85352	0.3
55.01858	0.4
55.05489	0.4
56.96555	0.2
62.38995	0.2
63.94062	0.2
67.05486	0.3
69.03403	0.3
69.07021	0.6
69.79485	1.2
69.79891	0.5
70.06552	0.7
71.04975	0.3
72.08119	0.3
81.03378	0.4
81.07017	0.5
85.02863	0.6
86.06032	0.6
86.09668	0.4
86.77552	0.2
94.06551	0.5
95.04960	0.6
95.08583	0.4
97.02847	0.6
97.06498	0.3
98.09647	0.4
100.11222	0.5
105.06987	0.3
106.94629	0.3
107.08587	0.3
108.04469	1.3
109.10110	0.3
111.04388	0.3
112.41766	0.2
116.10693	0.3
119.08567	0.4
120.08096	0.3
122.05984	0.8
122.09647	0.4
124.07588	0.3
124.34738	0.2
127.09562	0.2
133.10104	0.3
136.07523	0.7
138.05472	0.4
140.07054	1.3
146.06021	1.4
148.07544	0.7
150.05396	0.4
166.04970	0.5
168.06599	2.3
174.05542	0.6
182.15356	0.5
196.11290	0.3
199.08618	0.7
204.06573	0.7
205.46370	0.2
206.08234	1.3
209.08238	0.3
210.14920	0.5
211.08661	3.9
211.12302	0.9
212.09326	1.1
213.10187	0.9
218.31909	0.3
221.10722	0.4
222.09125	1.1
223.08615	0.4
223.12285	0.4
224.10828	1.5
225.10182	3.7
226.10954	0.8
227.08058	0.5
227.11798	0.5
233.58453	0.2
237.10223	0.5
238.11046	0.4
239.08018	0.8
239.11790	7.0
240.08835	0.5
240.12483	0.6
241.09691	1.3
241.13333	0.9
242.10417	0.4
243.11496	0.4
249.10205	0.7
250.08624	1.1
251.08212	0.8
251.11844	0.6
252.09161	1.8
253.09747	4.2
254.10460	0.7
255.11250	0.6
256.11987	0.5
257.09299	0.3
257.12839	0.9
267.08392	0.5
267.11298	9.4
268.11914	0.4
269.09262	0.2
269.12936	1.5
273.12546	0.3
278.08081	0.3
280.08463	0.6
281.09152	0.8
283.10822	0.5
284.11481	0.4
285.09467	0.3
285.12354	1.4
287.14191	0.3
295.07666	0.5
295.10764	5.9
296.09213	0.3
297.12268	0.8
298.10330	0.3
301.11777	0.4
305.14780	0.3
313.11823	33.3
314.12369	1.4
315.13461	1.2
323.10260	1.3
341.11331	9.5
342.12024	0.4
355.12943	1.3
359.12408	4.1
373.13953	100.0
374.14334	2.9
486.17343	0.3
627.24792	0.5
645.24780	0.5
659.27594	1.3
677.27844	0.8
677.49762	0.7
695.20862	0.4
695.50580	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2917
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56448	0.2
55.01853	0.7
56.95952	0.1
67.05479	0.4
69.07051	0.4
69.42670	0.3
69.43070	1.2
70.06554	0.3
70.91748	0.1
72.08133	0.1
79.05459	0.2
81.03385	0.2
81.07021	0.3
85.39492	0.1
86.09673	0.2
91.05439	0.2
94.06548	0.4
95.04943	0.5
97.02836	0.2
98.06010	0.2
105.07031	0.2
107.08591	0.2
108.04465	3.0
108.08127	0.3
122.06026	1.0
124.07582	0.4
133.10136	0.3
134.80144	0.2
136.07590	1.4
138.05460	0.6
140.07074	1.5
142.08606	0.2
146.05995	1.4
147.06772	0.3
148.03885	0.3
148.07561	1.0
150.05464	0.6
164.07039	0.5
166.04970	0.7
168.06558	4.2
172.03891	0.2
172.07536	0.2
174.05522	1.0
180.07146	0.2
194.09677	0.4
196.07753	0.1
196.09750	0.3
196.11307	0.4
197.10657	0.3
198.07634	0.2
198.09245	0.3
199.08667	1.5
201.06485	0.2
204.06500	0.6
206.08125	1.8
208.07703	0.2
211.08650	5.2
211.12120	1.2
212.07281	0.2
212.09297	1.3
213.10225	2.0
213.13725	0.2
214.10966	0.4
221.10786	0.9
222.09105	1.4
222.11069	0.3
223.08636	1.1
223.12265	0.4
224.09016	0.4
224.10683	1.5
225.06624	0.2
225.10193	4.9
226.07115	0.2
226.10812	0.8
227.08119	1.5
227.11804	0.5
228.08919	0.3
229.09595	0.3
237.10165	0.4
238.07330	0.1
238.10957	0.4
239.08012	0.7
239.11768	7.7
240.08688	1.1
240.12311	0.7
241.07323	0.2
241.09724	2.6
241.13258	1.0
242.10455	1.3
243.11244	0.2
249.10133	0.8
250.08594	1.4
251.08099	1.3
251.11739	0.6
252.08699	1.8
253.09727	5.7
254.10513	0.7
255.11255	1.0
256.12100	0.5
257.12839	1.1
259.10846	0.2
264.22226	0.2
267.08066	0.5
267.11267	11.8
268.09323	0.4
268.11972	0.5
269.09396	0.4
269.12808	1.8
271.06052	0.3
271.10666	0.4
273.12326	0.7
277.09882	0.2
278.08020	0.3
279.11151	0.2
280.08508	0.4
281.09222	0.8
283.10803	0.6
284.11542	0.6
285.09451	0.2
285.12390	1.5
287.13898	0.5
289.06058	0.2
295.10745	6.5
296.08963	0.3
297.12250	1.3
299.10382	0.4
300.10956	0.2
301.11844	0.4
303.13309	0.3
305.14951	1.5
313.11795	39.2
314.12473	1.0
315.13278	0.8
323.10226	1.9
327.13388	0.3
333.14316	1.8
341.11292	16.0
342.11963	2.1
343.12729	0.2
345.14429	0.3
351.15338	0.3
353.11353	0.3
355.12875	2.4
359.12323	5.8
373.13910	100.0
374.14322	2.0
375.15375	0.6
463.17230	0.2
486.16580	0.2
506.19302	0.2
538.21686	0.3
627.24127	0.8
641.26544	0.2
645.25531	1.8
659.27063	1.6
663.26471	0.7
677.28125	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64062	0.6
51.13899	0.7
53.03898	2.1
55.01820	2.5
55.05460	7.4
56.96542	1.0
57.03387	11.1
57.07022	0.6
61.02925	5.3
65.03901	1.1
67.05505	26.0
67.05831	1.4
68.05813	0.8
69.03430	3.6
69.07062	8.6
69.46887	4.6
71.01294	2.3
71.04989	4.3
72.69640	0.6
73.02914	3.3
77.03895	0.7
79.05492	25.1
80.05782	0.9
81.03417	45.0
81.03863	1.6
81.07059	18.1
82.07320	0.9
83.04994	7.2
83.08617	12.0
85.02897	5.6
85.06472	2.7
91.03868	2.7
91.05478	15.8
91.14004	0.6
93.07043	26.2
95.04965	14.8
95.08603	7.0
96.05290	0.6
97.02885	5.4
97.06527	6.2
97.10160	7.1
97.80854	0.6
99.04418	0.9
99.08047	1.7
101.02324	1.3
105.07034	9.6
107.04955	4.8
107.08593	17.3
109.02812	0.8
109.06469	2.6
109.10142	6.4
111.04382	1.4
111.08086	4.8
117.07036	3.7
119.07806	0.8
119.08583	9.8
120.08881	0.7
121.06461	2.1
121.10145	6.4
123.08053	1.6
123.11678	0.7
125.09626	1.3
127.03888	1.5
129.07025	4.6
131.08583	5.0
133.06470	1.3
133.10135	5.9
135.07988	1.3
135.11691	28.8
136.11983	1.1
137.09578	2.1
145.09036	0.8
145.10101	8.1
146.10327	0.8
147.07988	1.8
147.11682	4.1
149.09593	3.1
151.11122	1.1
153.12573	0.8
157.09181	0.7
157.10139	6.2
159.11748	0.7
161.09450	0.9
163.11194	8.6
164.11476	1.4
165.12646	1.5
165.26897	0.7
175.11157	6.0
181.12294	4.8
184.07242	0.8
193.12245	14.0
196.85930	0.6
203.05487	0.6
207.13817	0.6
211.11284	0.6
211.13249	2.1
227.12773	2.4
243.08363	1.5
249.10951	3.5
249.14932	1.4
250.11278	2.1
253.14227	1.4
255.15903	42.8
256.16351	0.9
262.12119	0.8
267.15921	35.7
283.15359	1.5
285.10098	2.0
285.16867	1.2
287.05493	1.1
287.18268	0.7
305.13464	1.2
311.20023	0.8
365.15970	0.8
403.24670	1.4
421.25986	7.6
429.26822	1.3
439.26736	1.7
447.27429	100.0
448.28058	3.2
465.28406	4.4
467.18970	4.2
468.19214	7.5
469.20520	0.8
489.28421	1.6
497.30826	1.3
573.30768	1.1
576.38373	0.8
694.31244	65.3
695.32007	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	694.4008
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20501	1.2
53.03944	3.1
55.01872	5.7
55.05512	18.0
57.03445	15.6
59.05006	3.6
61.02938	8.2
65.03928	3.7
67.05507	95.1
69.03429	7.4
69.07069	11.7
71.04999	32.0
71.60265	2.6
73.02921	3.0
74.27395	1.1
77.92577	1.4
79.05492	36.5
80.76749	1.2
81.03423	55.3
81.07060	42.4
82.07388	1.5
82.50100	1.4
83.04987	15.2
83.08628	23.6
85.02909	30.0
85.06538	3.5
86.09727	1.7
91.03954	4.3
91.05487	40.7
93.07044	33.7
95.04973	27.2
95.08604	22.1
97.02894	7.8
97.06546	8.0
97.10184	6.4
99.04454	1.4
99.08075	2.2
105.07033	27.1
107.04943	7.8
107.08598	16.0
108.08899	1.3
109.06523	5.9
109.10158	71.5
111.04385	2.1
111.08076	12.5
113.06021	3.4
115.05435	2.4
117.07018	4.3
119.04947	1.3
119.08585	27.6
121.06505	4.9
121.10149	13.7
123.08056	4.1
123.11719	2.9
125.09641	3.9
127.03889	3.2
129.06992	10.5
131.08562	11.5
133.06511	2.7
133.10126	16.9
135.08066	1.7
135.11694	21.8
137.05927	1.5
137.09601	14.2
143.35945	1.5
145.10095	6.9
146.10413	1.4
147.08038	4.1
147.11674	15.3
149.09636	5.4
151.11131	1.5
155.10641	3.8
157.10129	14.7
158.10558	1.5
163.11131	7.1
165.09117	2.0
165.12762	3.2
169.12175	2.2
173.11780	11.8
173.13135	2.1
175.11174	11.7
177.54552	1.3
181.12231	4.3
184.07280	2.7
189.11201	1.8
193.12254	32.8
199.13350	2.0
211.13313	39.5
213.00075	1.4
229.14368	4.6
235.87859	1.5
239.16559	3.5
243.15932	1.9
249.11197	1.5
255.15919	15.6
267.15924	20.2
269.17258	1.9
271.15405	1.8
283.15427	3.1
285.10080	2.7
285.16949	26.8
287.18533	26.6
329.21231	1.4
403.24350	2.8
421.25854	35.6
429.26389	3.4
439.26913	100.0
440.26965	2.0
440.83627	1.7
447.27402	55.9
448.27759	2.0
453.28351	14.1
461.28906	5.4
465.28506	75.7
466.29471	2.3
467.18967	2.5
469.20605	1.5
479.16989	2.1
479.30496	6.0
495.29016	2.2
496.29611	2.3
497.31036	76.8
498.31155	2.0
513.14227	1.4
591.30762	1.5
641.34711	3.2
694.29492	6.3
695.32166	23.2
716.37604	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	694.4009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.17947	12.2
61.02915	42.0
67.05496	100.0
69.03431	23.2
69.07076	19.5
69.33366	51.0
69.33786	84.9
69.99246	12.7
73.02916	17.4
79.05492	32.8
81.03413	18.1
81.07046	76.2
81.14111	12.9
85.02882	45.0
88.13406	12.9
91.03930	39.5
91.05453	22.8
93.07021	46.9
95.08591	59.4
97.02876	35.7
98.20697	23.9
107.08591	48.2
109.10166	32.5
119.08585	16.9
121.10132	40.0
125.09644	15.9
128.34874	13.5
131.08562	23.4
133.10112	22.5
135.11673	30.1
136.01340	14.1
137.13284	15.3
145.04938	24.3
149.13222	19.8
162.98779	12.1
163.06020	26.6
163.14807	14.4
197.84239	14.4
208.04562	16.1
243.21214	32.8
261.22083	92.6
335.25735	37.4
353.26743	63.8
420.64905	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	20.8
57.03435	13.3
58.76889	7.7
60.32409	6.4
61.02924	36.9
67.05505	100.0
69.03404	14.1
69.07069	8.9
73.02904	9.8
79.05493	47.2
81.03414	9.9
81.07053	83.1
83.04962	10.2
83.08601	13.4
85.02898	44.3
85.06548	8.8
91.03922	21.9
91.05479	21.8
93.07043	68.3
95.04961	14.8
95.08608	60.6
97.02873	26.4
97.06517	10.2
97.43340	7.0
98.20699	13.1
102.62212	8.1
105.07020	29.8
107.08607	45.0
109.10160	45.5
111.04434	8.6
119.08542	19.5
121.10117	33.6
123.11700	13.6
127.03893	14.2
131.08543	22.1
133.10130	19.0
135.11671	25.6
145.04970	8.5
145.10104	14.2
147.11646	12.3
149.13269	20.1
159.11693	12.0
161.13255	11.1
162.07790	7.1
163.06018	24.2
163.14806	9.7
170.33629	6.6
173.13268	16.3
187.14766	8.0
201.16270	8.1
243.21111	45.0
261.22137	97.5
335.25754	38.9
353.26810	72.6
497.30698	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	693.3089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
53.35631	0.2
55.01880	1.1
55.05517	1.9
57.03439	1.8
57.07109	0.3
59.05011	0.3
61.02924	4.5
65.03960	0.3
67.05501	3.7
68.05833	0.3
69.03423	3.2
69.07072	0.9
70.59149	0.8
71.01364	0.3
71.05011	0.8
73.02920	3.1
79.05493	3.1
81.03422	3.5
81.07049	3.4
83.01360	1.1
83.04987	1.7
83.08611	1.4
85.02902	5.6
87.04484	0.5
91.03954	3.6
91.05473	1.9
93.07047	4.1
95.04964	1.6
95.08614	1.5
96.34386	0.2
97.02889	4.7
97.06553	1.1
97.10192	0.5
99.04481	1.1
101.02380	1.8
103.03955	0.5
105.07037	1.7
107.04969	1.7
107.08602	2.4
109.02914	0.7
109.06528	1.2
109.10182	1.3
111.04456	0.6
111.08131	0.4
115.03943	0.4
115.30219	0.3
117.07015	1.2
119.08582	2.0
121.06535	0.7
121.10141	1.8
123.08026	1.4
125.06062	0.4
125.09653	0.4
127.03896	1.7
128.78221	0.2
131.00270	0.3
131.08611	0.7
133.10143	0.4
135.08043	0.5
135.11705	2.1
137.09612	0.3
142.00491	0.2
144.35423	0.3
145.05002	0.4
145.10143	2.7
147.08028	0.4
153.12766	0.4
155.08644	0.3
163.11154	4.6
164.11537	0.4
173.09680	0.5
181.12283	0.7
185.04355	0.5
191.10710	0.4
193.12294	0.5
209.11775	0.9
211.13498	0.6
227.12712	1.4
243.08417	2.4
249.11044	1.0
266.54535	0.2
267.16080	0.5
275.20352	0.3
283.08725	0.3
283.15402	1.5
293.21548	0.3
305.13690	0.4
437.25745	0.4
438.25882	0.8
458.13629	0.3
460.27667	0.3
464.27295	0.7
467.18890	13.6
478.28616	0.3
491.73502	0.3
495.29425	0.6
496.30023	1.1
530.60754	0.3
559.37207	0.3
577.37549	1.1
595.38422	0.3
693.30878	100.0
694.30908	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	693.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01871	1.3
55.05495	1.4
55.92150	0.3
56.96558	0.6
57.03426	1.6
57.07062	0.4
59.04992	0.3
61.02923	4.7
64.20406	0.3
65.03944	0.3
67.05501	3.4
69.03426	2.6
69.07052	1.2
69.67866	0.3
69.96767	0.8
69.97177	0.7
71.01365	0.5
71.04984	1.1
73.02910	2.9
79.05490	3.2
81.03416	3.5
81.07050	3.7
83.01338	0.6
83.04984	1.8
83.08618	1.0
85.02902	4.6
85.06519	0.4
91.03959	2.9
91.05470	2.5
93.07041	5.0
95.01297	0.3
95.04980	1.1
95.08595	3.2
97.02882	4.8
97.06544	0.8
98.20756	0.4
99.04475	1.4
101.02352	1.5
105.07025	2.1
107.04942	1.6
107.08596	3.4
109.02884	0.9
109.06541	1.1
109.10145	1.5
110.10494	0.3
111.04438	0.4
111.08094	0.5
117.07019	1.6
119.08566	1.8
121.06509	0.8
121.10152	2.0
123.08058	0.9
124.83572	0.3
125.06013	0.5
127.03918	1.3
129.06995	0.4
131.08580	1.0
133.06471	0.3
133.10143	0.9
135.08064	0.3
135.11684	4.5
137.09679	0.4
145.04930	0.3
145.10118	3.7
147.11671	0.6
149.09613	0.5
157.10156	0.3
163.11172	6.3
173.09595	0.4
175.11198	0.4
181.12274	1.2
185.04097	0.4
209.11723	0.4
211.13380	0.4
219.09869	0.3
227.12781	3.8
243.08438	2.5
249.10965	7.9
255.09134	0.5
267.09079	0.5
267.15994	1.1
283.08405	0.4
283.15338	1.2
284.12802	0.5
285.10150	1.1
305.13580	1.9
308.11682	0.4
348.15405	0.5
348.65515	0.5
349.17056	0.3
349.23788	0.4
355.13995	0.6
357.16507	0.3
365.15347	2.9
365.65619	0.4
438.25705	0.5
445.21368	0.4
447.27576	0.5
460.91125	0.3
467.18900	20.1
468.19232	0.5
495.29166	0.4
496.29996	1.2
531.25812	0.5
693.30841	100.0
694.31042	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	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	14.7
57.03436	8.3
57.07063	1.2
57.14141	1.1
59.04982	4.2
61.02910	4.7
64.44817	1.2
65.03933	1.7
67.05503	69.1
68.05819	1.3
69.03422	3.3
69.07065	7.6
69.42132	8.3
69.42546	4.2
71.04991	19.3
73.02918	1.6
79.05488	22.7
81.03418	17.0
81.07055	23.7
83.01334	5.1
83.04980	12.7
83.08616	14.8
85.02911	8.2
85.06561	2.8
91.03938	2.4
91.05481	19.5
93.07038	29.1
95.04954	8.4
95.08615	14.4
97.02875	5.4
97.06521	8.4
97.10162	4.0
99.04460	3.1
102.18911	1.3
105.07040	10.2
107.04940	7.5
107.08582	15.7
109.02876	1.8
109.06519	7.7
109.10158	54.7
110.63563	1.7
111.04453	3.1
111.08079	4.5
117.06998	6.5
119.08567	15.1
121.06488	2.0
121.10127	10.9
123.08089	7.1
125.06000	2.7
125.09673	1.7
131.08557	4.0
133.10127	4.5
135.08044	3.6
135.11685	17.8
137.09567	8.4
142.68445	1.3
145.10127	17.5
147.08058	2.6
147.11740	1.9
149.09576	1.8
153.12730	2.6
155.10664	3.1
157.10167	1.6
163.11160	20.2
173.09627	3.5
173.11743	10.9
175.11118	1.6
177.05768	1.4
181.12245	4.8
191.10667	2.9
193.12230	2.4
209.11734	5.4
211.13295	2.2
227.12840	3.6
255.15982	6.6
267.15942	4.4
269.17572	4.3
283.15421	19.4
285.16904	1.9
287.18591	11.1
377.43701	1.5
413.57486	1.3
432.36917	1.3
437.25357	88.3
438.26028	1.6
445.25598	1.9
451.26736	4.7
459.27429	3.1
463.26865	41.5
477.28537	12.1
495.29517	100.0
496.29507	2.8
639.32886	1.9
688.71198	1.5
692.26257	3.9
693.30115	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	692.3844
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40506	1.9
55.01863	3.3
55.05516	15.0
57.03436	14.7
57.73701	1.7
61.02921	4.4
65.03947	1.9
67.05502	27.7
69.03421	5.8
69.07071	7.1
71.04972	5.5
79.05495	22.5
80.03944	1.8
81.03418	79.0
81.07056	26.7
83.04983	18.0
83.08620	28.0
85.02904	24.9
85.03383	3.0
85.06517	1.6
91.05485	34.9
93.07037	16.3
95.04958	34.6
95.08598	13.7
97.02877	7.2
97.06532	2.7
97.10157	5.9
99.08094	2.1
100.13326	1.5
105.07035	25.6
107.04953	8.3
107.08587	10.6
109.06489	4.4
109.10155	2.2
111.04453	1.9
111.08070	12.1
113.05974	3.6
117.07005	2.5
119.08590	24.0
121.06528	3.1
121.10136	10.7
123.08105	3.5
129.07011	13.1
131.08600	12.0
133.06476	3.4
133.10117	12.2
137.09572	1.5
142.07822	1.7
145.10153	2.4
147.08022	2.8
147.11685	18.4
149.09633	8.4
157.10129	20.8
165.12787	4.8
175.11192	19.0
193.12247	65.1
199.35878	1.7
211.13289	100.0
229.13641	1.7
232.19046	1.7
241.62637	1.6
267.15918	47.1
285.16968	98.8
322.09320	1.7
385.23697	5.4
403.24747	2.6
441.26178	2.0
459.27390	31.0
477.28485	34.8
495.29529	93.7
496.30072	3.8
639.34149	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	692.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.4
53.10028	0.5
55.01857	2.4
55.05510	13.2
57.03435	11.7
59.04991	0.8
61.02929	2.9
65.03926	1.2
67.05502	18.4
69.03418	4.3
69.07072	5.6
71.04996	3.6
73.02916	1.3
79.05492	20.3
81.03416	66.5
81.07056	20.8
83.04977	14.4
83.08620	24.6
83.09033	0.4
85.02905	26.9
85.06538	1.8
86.09714	1.9
88.73763	0.5
91.03944	1.5
91.04902	0.8
91.05479	24.3
93.07047	13.9
95.04967	28.7
95.08604	7.9
97.02882	4.9
97.06517	3.7
97.10160	4.5
97.80113	0.5
99.04440	0.9
99.08099	1.0
103.05460	0.5
105.07033	20.7
107.04947	6.5
107.08585	7.3
108.18967	0.6
109.06522	5.1
109.10153	2.8
111.04453	3.6
111.08084	12.6
113.06036	2.8
113.06675	0.5
115.05457	1.4
117.07024	2.1
119.04947	0.9
119.08579	18.7
121.06481	2.6
121.10136	10.3
123.08083	2.7
123.11672	1.5
125.00009	1.4
125.09638	2.1
129.07010	9.8
131.08559	12.0
133.06538	2.9
133.10144	10.7
133.96135	0.6
135.08076	0.9
135.11768	0.6
137.09645	1.9
142.07791	2.8
145.10109	2.2
147.08051	3.8
147.11682	17.5
149.09642	6.1
151.11246	1.0
157.10133	15.1
163.11166	1.5
164.11571	0.5
165.12767	2.9
175.08713	0.7
175.10008	0.4
175.11182	18.1
184.07356	7.1
193.12242	50.0
194.12511	0.8
211.13289	66.5
212.13574	1.1
217.05630	0.6
229.14279	0.6
249.14684	0.7
267.15918	33.9
283.15515	1.1
285.10345	1.6
285.16962	63.6
286.17395	1.4
350.23962	1.0
367.22723	1.9
385.23587	3.1
403.24881	2.3
433.26028	1.9
441.26120	1.1
459.27396	30.0
460.27493	0.7
477.28476	38.3
478.28677	0.9
493.28159	0.8
495.29535	100.0
496.29810	2.2
502.18942	0.5
639.33630	1.7
688.25903	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01871	5.8
55.05509	14.4
57.03437	13.5
57.07069	1.0
59.04995	1.3
61.02933	5.0
65.03931	1.2
67.05504	19.5
69.03430	4.7
69.07070	7.4
69.27777	2.2
69.28193	4.2
69.78670	0.6
70.06563	0.5
71.01350	0.6
71.04986	5.8
73.02907	1.9
79.05492	23.7
80.05846	0.6
81.03418	48.0
81.07056	26.2
83.01345	6.8
83.04981	16.8
83.08622	19.7
84.08888	0.8
85.02904	18.0
85.06545	1.6
91.03954	2.3
91.05479	26.0
92.05808	0.6
93.07046	26.4
95.04356	1.2
95.04969	21.5
95.08605	10.5
96.08951	0.6
97.02896	6.4
97.06537	5.9
97.10170	4.1
98.21502	1.4
99.04465	2.0
99.08086	1.3
103.05471	1.0
105.04537	0.8
105.07030	18.2
107.04967	9.4
107.08600	12.7
109.02864	1.4
109.06517	7.2
109.10140	5.2
111.04447	3.3
111.08083	6.8
113.06023	1.8
115.05452	0.8
117.07021	5.8
119.04965	0.8
119.08587	18.0
121.06516	3.7
121.10148	13.0
123.08076	6.8
123.11731	0.9
125.06020	1.3
125.09638	2.6
127.03905	3.1
128.06201	1.1
129.07014	8.4
130.07835	0.9
131.08559	9.2
133.06508	1.9
133.10126	11.3
135.08064	1.7
135.11696	8.8
137.09604	1.8
142.07788	1.6
143.08522	1.2
145.10126	12.5
147.08034	3.7
147.11688	9.7
149.09621	5.3
151.11162	1.4
153.01848	0.8
153.12764	2.3
155.08582	1.4
157.10130	10.3
163.11174	20.6
165.09340	0.6
165.12759	2.5
173.09647	2.2
175.11198	9.4
181.12227	2.7
191.10672	2.4
193.12242	29.2
209.11751	5.4
211.13289	41.3
212.13684	0.9
227.12753	8.1
249.14775	0.8
257.04340	0.8
267.15903	14.7
267.18573	1.0
283.15405	51.9
284.15775	2.7
285.16977	42.7
286.04816	1.2
286.17282	1.2
287.05453	2.7
311.05515	1.2
353.15964	1.2
365.64035	0.6
383.22250	1.9
401.23080	1.3
457.25681	3.6
475.26935	20.9
475.33499	1.3
476.26721	0.9
479.17102	5.1
493.27963	100.0
494.28314	5.2
497.18204	5.4
515.19086	3.9
685.34460	0.8
689.45074	0.6
690.31421	2.1
691.22626	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	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
54.53438	0.8
55.01873	7.3
55.05257	1.1
55.05511	12.6
57.03436	9.2
59.04995	2.0
61.02923	4.0
65.03938	1.2
67.05505	19.3
69.03431	5.5
69.07064	5.3
71.01360	1.6
71.04990	4.7
71.08632	1.1
73.02908	1.8
79.05492	20.5
81.03415	44.4
81.06577	1.4
81.07054	24.6
83.01342	4.9
83.04979	14.3
83.08620	20.9
85.02904	19.6
85.03418	0.9
85.06528	1.2
86.06066	1.9
87.04448	0.9
91.03979	2.6
91.05480	19.6
91.06013	1.5
93.07038	20.2
95.04970	19.4
95.08595	9.1
97.02878	5.8
97.06519	5.1
97.10186	3.9
98.09663	1.1
99.04456	3.2
99.08033	1.7
103.05476	0.9
103.61658	0.7
105.04630	0.8
105.07029	16.4
107.04943	8.0
107.08594	10.8
109.02876	1.3
109.06516	7.0
109.10160	3.0
111.04437	3.1
111.08071	7.5
113.06038	1.6
116.10732	5.8
117.07032	3.7
119.08588	12.9
121.06516	3.4
121.10135	8.3
123.04389	0.9
123.08057	5.7
123.11734	1.7
125.06001	1.5
125.09623	2.1
126.64714	0.8
127.03926	2.4
129.07001	5.9
131.08566	9.8
133.06587	1.7
133.10121	6.9
135.08043	1.5
135.11690	7.6
137.09637	1.4
143.08554	0.9
143.10686	0.8
145.06584	1.0
145.10123	9.6
147.08076	3.6
147.11679	10.4
149.09619	4.9
153.12767	2.6
155.08536	1.3
157.10130	9.1
163.11168	13.5
165.12785	2.2
173.09634	2.5
175.11195	8.6
181.12259	2.9
191.10588	1.8
193.12242	27.3
194.12578	0.9
196.16957	1.7
202.42592	0.8
209.11729	2.4
211.13295	41.9
212.13774	0.8
214.18011	17.8
214.19958	1.2
227.12830	4.9
249.14966	0.8
265.14301	1.5
267.15894	12.3
283.15402	44.2
284.15662	2.3
285.16956	31.9
289.63394	0.7
291.19437	1.2
292.19925	2.5
344.24344	3.1
383.22226	3.0
401.23343	1.9
430.24429	2.0
442.31732	2.9
457.26010	3.2
462.23267	6.0
475.26920	17.1
476.27216	1.3
479.16721	1.4
493.27945	100.0
494.28171	7.2
528.31042	0.8
564.75171	0.8
592.29578	1.7
599.53430	0.9
690.37262	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	690.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32268	0.4
52.99995	0.4
53.03932	1.3
55.01878	4.6
55.05270	0.6
55.05516	9.9
55.05778	0.7
56.96558	0.5
57.03187	0.5
57.03440	6.7
59.04989	1.7
60.15080	0.4
61.02926	2.4
67.05509	14.1
68.05825	0.5
69.03431	2.3
69.07070	4.2
71.01363	0.8
71.04982	3.4
72.77380	0.4
73.02916	1.5
75.16630	0.4
79.05495	17.3
80.05814	0.6
81.03423	21.2
81.07060	14.6
83.01350	3.8
83.04980	10.3
83.08141	0.6
83.08624	11.1
85.02910	7.6
85.06538	1.0
91.03951	0.6
91.05485	15.7
93.07049	18.5
94.07372	1.3
95.04980	14.0
95.05574	0.2
95.08614	7.9
96.08906	0.8
97.02890	3.5
97.06532	4.4
97.10177	2.5
99.04462	2.2
99.08090	0.8
103.05415	0.6
105.04487	0.5
105.06378	0.8
105.07031	10.8
107.04961	7.2
107.08604	11.1
108.08929	1.1
109.06508	5.0
109.10133	2.3
111.04439	3.3
111.08088	4.5
113.05986	1.0
115.05415	0.6
117.07007	3.9
119.07829	0.3
119.08586	9.8
120.08924	0.8
121.06517	2.1
121.10133	7.0
123.08055	4.7
123.11733	0.9
125.06012	0.9
125.09652	1.3
127.03948	0.6
129.05547	0.5
129.07018	4.6
131.08566	5.1
133.06490	1.5
133.10130	6.0
135.08029	3.5
135.11702	9.4
136.12033	0.8
137.09599	1.3
139.07590	0.8
142.07767	1.2
145.06508	0.7
145.10136	8.5
146.10457	1.4
147.08032	1.6
147.11700	6.6
149.09610	3.1
149.13319	0.5
151.11198	1.7
153.12811	2.2
155.08545	1.1
157.10136	4.4
163.11189	16.1
164.11548	2.7
165.12788	1.5
173.09641	2.5
175.11192	5.4
181.12227	3.0
181.96135	0.5
191.10637	2.6
193.10661	0.4
193.12245	13.6
209.11801	3.5
211.13318	15.2
227.12781	5.3
228.13164	1.8
249.73169	0.4
257.34012	0.5
265.14307	0.7
267.15948	9.9
268.16199	0.7
283.15405	41.1
284.15744	7.4
285.16965	18.5
286.17160	0.8
355.14175	2.0
358.16287	0.5
383.21976	0.9
401.23407	0.6
412.87396	0.5
414.90073	0.4
445.20413	0.6
457.25940	2.1
475.26877	14.8
476.27454	1.2
491.26437	1.7
492.26929	3.3
493.27911	100.0
494.28131	6.2
511.29123	0.9
691.25494	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	689.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01194	3.3
51.75774	2.9
53.03950	11.9
55.01871	13.9
55.05510	47.0
57.03441	19.3
57.07090	5.0
61.02913	4.5
65.03925	7.7
67.05508	100.0
69.03444	21.8
69.07074	32.0
71.01360	5.6
71.05001	9.1
71.61979	4.4
71.97556	3.5
73.02920	5.6
79.05052	6.4
79.05496	83.3
81.03423	67.5
81.07061	93.5
83.04966	18.9
83.08623	19.6
85.02917	21.0
85.06532	4.8
91.05486	66.5
93.07047	77.0
95.01346	5.0
95.04978	79.8
95.08619	59.3
97.02887	16.8
97.06530	9.5
97.10181	19.0
99.04449	4.2
103.03943	8.5
103.05468	5.6
105.07043	58.7
107.04954	25.4
107.08603	47.3
109.02872	15.8
109.06544	21.8
109.10161	17.5
111.04434	7.3
111.08109	6.2
113.05964	4.5
115.05399	4.3
117.07022	26.5
119.08600	36.3
121.06493	20.8
121.10133	27.6
123.04438	37.4
123.08060	7.6
123.11741	8.5
125.09660	7.9
127.03981	4.7
128.06201	5.4
129.07018	21.5
131.04973	7.6
131.08592	34.2
133.06487	9.9
133.10156	22.3
135.08104	9.6
135.11696	21.4
137.05998	4.6
137.09612	4.7
140.84204	3.0
141.06996	3.8
143.08504	18.7
144.28635	3.0
145.06503	11.6
145.10149	31.8
147.04404	12.9
147.08075	14.1
147.11699	20.2
149.05948	5.3
149.09628	7.9
149.13268	9.2
151.07469	4.0
155.08565	8.6
157.06512	4.1
157.10136	10.6
159.08015	4.9
159.11700	16.1
161.05966	8.0
161.09637	8.9
161.13283	7.9
163.11150	19.3
163.14809	3.9
165.12793	3.6
169.10170	8.1
171.08145	3.9
171.11714	12.6
173.04497	6.4
173.06015	4.7
173.09637	8.1
173.13264	11.3
175.11264	7.9
175.14857	4.0
183.11739	5.0
185.09688	5.7
185.13318	9.2
187.11195	4.2
187.14868	3.6
189.05457	5.2
189.11180	3.9
189.12769	8.4
193.12224	9.5
195.11783	7.8
197.13202	4.0
205.12273	7.2
207.13860	6.5
211.13220	5.1
217.12346	4.9
224.21074	3.3
231.13826	4.4
233.15405	4.1
235.13292	47.6
249.14931	5.7
259.13318	5.6
259.20755	3.6
261.22275	11.9
267.15991	7.5
273.14859	16.4
273.18335	7.7
277.14487	5.1
285.17044	4.7
291.16547	4.1
291.19446	18.0
297.15057	4.0
301.14285	35.6
319.15549	10.1
327.23309	3.7
333.24387	6.3
335.25806	40.4
337.16452	4.8
341.24664	3.5
347.22104	4.2
365.23367	4.2
375.18051	7.7
393.19055	5.2
411.20285	9.1
435.32492	4.1
476.52017	3.5
483.16443	4.5
509.37317	4.9
519.32874	4.9
527.37067	25.8
545.38861	6.5
569.38647	19.4
602.23645	8.7
618.28204	3.7
635.39056	18.0
653.40088	15.8
671.41510	19.2
689.42383	48.9
707.09314	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	689.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02379	1.8
53.03941	9.3
55.01873	6.7
55.05514	30.4
57.03436	10.9
57.07070	5.9
65.03956	3.8
67.05508	74.0
69.03433	30.4
69.07066	24.8
71.04984	12.0
71.59161	3.1
73.02938	2.1
74.88445	1.8
79.05495	69.0
81.03421	100.0
81.07057	69.9
83.04987	17.5
83.08623	23.0
85.02901	20.0
85.06570	3.7
85.68660	1.6
87.04469	25.8
91.05486	59.8
93.07043	60.3
94.87350	1.8
95.04977	35.2
95.08611	46.5
97.02900	17.6
97.06556	6.8
97.10170	7.4
99.04482	7.8
99.08086	3.2
103.05454	3.2
105.07033	42.5
106.07382	2.1
107.04959	12.3
107.08599	37.2
109.02892	17.2
109.06511	6.5
109.10153	21.8
111.04460	13.1
111.08040	8.9
113.05972	2.5
114.65878	2.3
115.05470	2.7
117.07014	17.9
119.08601	37.3
121.06498	9.6
121.10143	26.5
123.04417	3.4
123.08101	5.3
123.11737	7.4
125.09643	4.4
127.03922	13.2
128.06201	4.7
129.05521	4.5
129.07005	18.9
131.08574	32.7
131.09491	2.2
131.51648	1.6
133.06534	6.6
133.10132	21.6
135.04372	3.0
135.08134	4.7
135.11690	15.3
135.38408	1.9
137.05974	2.4
137.09663	4.5
141.07028	5.1
142.07758	3.0
143.08553	10.1
145.06468	3.1
145.10118	15.9
147.04475	2.9
147.08084	6.6
147.11678	25.7
147.12758	2.1
149.09642	6.4
149.13290	7.2
153.12761	2.5
155.08626	6.0
157.06532	2.3
157.10115	18.8
159.08099	3.1
159.11707	13.7
161.06033	2.1
161.09668	5.3
161.13310	7.1
163.11200	7.3
165.12817	7.1
167.08655	2.9
168.09404	2.1
169.10159	4.8
169.55356	2.0
171.08110	3.3
171.11734	8.7
173.04527	4.9
173.09682	4.6
173.13329	6.7
175.11205	12.4
175.14934	3.3
179.08611	2.0
181.10150	3.3
181.12158	2.4
183.11789	6.8
183.13806	1.8
184.40184	2.0
185.09767	2.8
185.13301	6.3
187.11226	2.2
187.14838	2.9
189.12776	1.9
191.10695	3.9
193.12238	33.2
193.13860	3.3
195.11880	2.8
199.11292	2.5
199.14799	2.7
201.12813	3.4
209.13388	3.4
211.13266	49.5
213.16541	2.7
227.12849	5.3
229.12164	2.3
229.14336	3.4
235.13280	3.4
241.19542	2.4
243.21098	3.5
254.17783	2.7
259.20770	5.0
261.22241	5.5
267.15915	11.4
273.14835	4.2
277.21609	3.7
283.15536	2.9
285.17007	13.6
301.14413	2.8
301.21603	4.0
303.16354	2.0
309.17224	2.6
335.25946	14.1
337.16611	3.1
339.22882	2.1
341.24585	3.0
351.23355	3.2
355.17493	4.4
369.24216	11.7
375.18091	2.7
387.25354	6.3
411.20123	5.3
439.80264	2.4
443.28195	5.1
461.29062	3.5
527.37250	14.3
545.38513	7.9
635.39490	2.5
653.40448	10.1
671.41339	15.3
682.14850	2.0
689.42590	85.0
690.42926	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	689.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.0
55.01862	5.1
55.05515	31.5
57.03440	13.1
57.07082	3.0
61.02922	9.8
62.71416	2.1
65.03929	3.0
67.05507	67.1
69.03432	25.7
69.07075	20.1
69.39228	8.0
69.39651	13.4
71.04980	8.3
73.02924	7.1
79.05496	51.9
81.03423	47.6
81.07061	76.2
83.04981	15.6
83.08609	17.5
85.02906	18.6
85.06528	2.9
87.04450	2.4
91.03954	6.4
91.05478	48.8
93.07050	52.7
95.04968	12.6
95.08611	40.0
97.02892	24.4
97.06507	5.3
97.10173	6.4
98.06054	3.1
98.21460	3.5
98.95506	2.2
99.04459	5.6
99.08083	2.7
103.05477	2.3
105.04537	2.2
105.07024	52.1
107.04951	7.2
107.08604	32.1
109.02885	11.1
109.06497	3.9
109.10155	17.3
111.04423	4.1
111.08115	4.1
115.05448	3.6
117.06998	24.1
117.24618	2.3
119.08582	31.0
121.06480	5.4
121.10150	21.7
123.08072	4.6
123.11689	7.6
127.03918	10.9
128.06219	5.0
129.05493	7.0
129.07007	16.5
131.08569	36.9
133.06482	2.7
133.10153	24.5
135.08032	3.9
135.11670	14.4
137.06058	2.1
137.09601	3.4
141.06999	8.1
143.08588	20.8
145.06561	3.3
145.10117	25.3
147.08025	5.9
147.11682	20.3
149.09616	2.7
149.13246	9.2
155.08577	13.3
157.10150	17.8
159.11671	20.3
161.13298	4.9
161.57220	2.3
163.14932	3.5
165.12790	7.1
167.08604	5.3
169.10114	16.5
171.08012	4.0
171.11711	15.5
173.04506	13.2
173.13295	13.8
175.11244	2.9
175.14824	3.7
177.12753	3.6
179.08588	4.1
181.10197	8.1
183.11655	13.2
184.07343	3.5
185.13307	14.5
187.11223	2.7
187.14790	3.2
189.12772	4.0
193.10132	2.7
193.12305	3.9
195.11743	10.6
195.13744	3.2
197.09605	2.3
197.13277	10.0
199.11261	2.4
199.14920	4.9
201.12729	3.0
205.10173	2.8
207.11684	3.7
209.13329	7.7
211.14908	4.8
213.12846	3.2
213.16475	3.8
221.13365	4.8
223.14911	5.2
225.16452	3.8
235.15096	3.7
241.19708	3.8
259.20554	9.4
261.22198	4.8
267.15939	7.8
269.17511	8.1
285.16907	7.6
297.37622	2.8
301.21536	4.9
306.27957	22.9
307.28189	21.6
313.21597	3.2
325.21744	2.5
327.23264	2.6
333.24249	6.7
335.25760	10.3
339.23065	2.8
341.97766	2.3
351.23102	4.2
367.22693	5.3
369.24176	5.0
417.31369	3.4
435.32553	10.2
453.33685	8.7
509.36288	7.7
517.39063	3.1
525.35547	4.7
527.37408	100.0
528.37341	3.7
529.38416	4.6
545.38367	6.8
569.38696	2.8
611.38806	3.3
635.39038	8.7
653.40588	12.3
671.41986	13.0
689.42426	58.1
690.42169	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	688.3899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.7
55.01872	3.8
55.05509	13.4
57.03450	10.0
61.02901	2.0
65.03934	3.7
67.05506	32.9
69.03425	4.0
69.07061	11.7
69.95249	10.9
71.04989	3.8
74.21315	1.6
79.05495	45.2
81.03419	50.7
81.07054	37.4
83.04988	19.0
83.08617	16.6
85.02914	16.2
85.06531	2.3
91.05476	45.9
91.06013	3.4
93.07045	45.4
95.04972	32.5
95.08602	17.6
96.08966	1.8
97.02879	4.6
97.06519	7.0
97.10175	4.9
98.20815	2.2
99.08088	2.9
105.07030	30.6
107.04974	8.8
107.08591	14.2
109.02859	2.2
109.06505	5.8
109.10153	7.6
111.08100	6.8
117.07014	5.1
119.08594	23.4
121.06450	2.6
121.10146	9.9
123.08064	4.8
129.06998	14.2
131.08575	13.0
133.06516	4.9
133.10153	12.8
142.45990	2.1
143.08560	7.1
145.10146	8.5
147.04424	2.2
147.08075	6.5
147.11679	29.5
149.09625	6.1
157.10089	12.6
161.09651	3.5
161.13234	4.2
163.11124	3.6
171.08130	1.7
171.11700	15.0
175.11253	12.8
189.12776	8.7
193.12248	29.5
207.13795	14.1
208.04268	1.8
211.13264	28.0
256.56754	2.2
267.15894	30.3
267.18588	2.8
281.17480	52.1
283.15369	4.3
285.17007	30.0
287.05249	2.4
383.11368	3.8
394.14090	2.1
399.53867	1.9
459.81726	1.8
473.29028	100.0
474.29330	2.6
491.30191	75.7
651.22296	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	688.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	5.6
55.01871	7.4
55.05516	19.4
57.03447	15.4
58.92415	2.5
61.02934	3.9
63.38440	2.7
65.03952	3.3
67.05504	54.5
69.03433	7.2
69.07072	14.4
71.04991	6.1
73.06551	2.6
74.13218	2.7
79.05493	66.0
79.92727	2.6
81.03422	67.8
81.07058	51.8
83.04986	24.9
83.08627	23.4
85.02914	20.3
85.06549	3.0
86.07095	2.4
91.05484	62.4
91.06017	5.3
93.07048	66.2
95.04983	38.7
95.08617	23.2
97.02897	9.6
97.06533	7.8
97.10171	5.1
98.21453	5.2
105.07021	38.6
107.04953	10.7
107.08584	24.1
109.06511	9.6
109.10158	10.9
111.04431	2.7
111.08075	11.4
113.06036	4.4
117.07041	6.9
119.08587	30.2
121.06514	5.3
121.10144	12.4
123.08028	5.7
125.09586	3.2
128.06224	3.5
129.07004	23.9
131.08575	11.3
133.06496	3.8
133.10150	13.5
135.11693	4.1
143.08589	8.6
145.10150	10.8
147.04414	6.3
147.08034	5.2
147.11691	36.4
149.09641	6.2
157.10129	13.8
161.13268	9.4
163.03955	6.7
163.11147	3.0
171.11722	19.3
175.11180	13.2
189.12802	6.3
193.12230	29.7
207.13820	19.7
211.13316	32.4
225.14510	3.0
263.18570	2.7
267.15927	39.2
281.17474	48.6
283.15411	8.5
285.16974	33.3
473.29047	100.0
474.29456	3.3
491.30188	71.6
519.04822	2.7
649.00824	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	688.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01801	0.4
55.01843	1.5
55.05516	3.0
55.36462	0.4
57.03441	1.8
57.07049	0.5
59.04976	0.4
61.02924	3.0
62.06074	0.5
67.05505	3.7
69.03432	8.5
69.07069	5.5
70.06565	0.9
71.04960	1.6
72.08134	0.6
73.02929	2.2
79.05498	1.8
79.05853	0.3
80.05016	0.5
81.03419	3.8
81.07060	6.5
83.04967	0.5
83.08623	1.8
84.08106	0.6
85.02906	15.7
85.06510	1.4
86.06066	12.8
86.09688	0.6
87.04462	4.6
91.03931	0.8
91.05472	2.2
93.07053	2.2
94.06558	0.5
95.04948	0.9
95.08041	0.5
95.08608	5.7
96.08128	4.3
97.02389	0.4
97.02891	5.8
97.06489	0.9
97.10150	0.3
98.06042	4.1
98.09675	0.9
99.04470	3.0
100.07598	0.6
101.40126	0.4
105.07040	1.9
107.08566	1.5
108.08124	2.0
109.02892	3.1
109.06492	1.2
109.10149	1.8
110.06030	0.4
110.09651	1.2
112.07604	1.0
114.09116	0.9
116.10732	6.0
117.74261	0.4
117.75053	0.4
119.08556	1.2
120.08067	0.8
121.08843	0.5
121.10130	1.1
122.09631	1.4
123.08039	0.7
123.11697	1.2
124.07612	1.8
124.11211	0.5
126.09148	0.5
127.03921	3.9
131.08524	0.5
133.10094	1.2
134.09621	0.5
135.07957	0.4
135.11670	0.4
136.11189	1.1
137.05972	0.5
137.13242	0.5
138.09088	1.0
142.08633	10.9
145.04985	1.9
147.11612	1.3
151.11217	3.2
152.10725	0.5
152.14343	0.6
154.12251	2.0
162.12773	0.9
164.14345	1.6
170.11731	0.6
171.06406	0.4
176.14380	0.5
177.00662	0.6
182.15385	0.9
193.12263	0.5
194.15392	3.1
196.16904	0.8
201.14743	0.4
208.16968	0.7
210.18533	48.7
212.16457	73.4
213.16782	0.5
226.18018	65.6
236.16438	3.0
248.93359	0.4
254.17487	5.0
257.04480	0.7
272.18588	10.7
298.23788	1.3
314.19598	5.4
329.26810	0.5
333.24319	1.0
358.18604	81.2
359.18875	0.7
374.21735	100.0
375.22046	1.2
376.28619	1.1
378.30173	0.5
385.15833	0.5
394.29480	2.0
416.22708	0.7
460.21600	2.5
483.13342	0.5
508.28461	0.7
509.27087	0.5
520.23859	5.2
526.30145	10.7
527.11713	1.7
527.30609	0.5
556.34540	1.6
601.78406	0.4
644.36469	1.2
683.97058	0.4
688.35419	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	688.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89887	0.3
53.03940	1.1
55.01625	0.4
55.01877	5.9
55.05268	0.5
55.05516	9.8
57.03442	7.7
57.07065	0.7
59.05006	2.5
61.02674	0.3
61.02930	3.5
62.38207	0.3
65.03931	0.4
65.12621	0.3
67.05173	0.5
67.05511	7.9
69.03429	2.0
69.07062	3.1
71.01337	0.7
71.04994	2.7
71.60194	0.4
71.60605	0.3
73.02909	1.3
79.05501	13.7
81.03426	9.7
81.07063	12.9
81.70898	0.3
83.01347	7.7
83.04993	8.0
83.08631	10.2
85.02421	0.6
85.02911	5.8
85.06539	0.6
91.03982	1.6
91.05487	8.6
93.07054	18.3
95.04972	5.2
95.08609	5.9
97.02900	3.7
97.06538	3.0
97.10176	1.1
99.04454	2.9
99.08115	0.6
103.05486	0.5
105.06379	0.5
105.07040	6.6
105.07714	0.2
106.44256	0.4
107.04965	6.9
107.08602	10.1
109.02915	0.7
109.06528	5.6
109.10176	1.5
111.04461	2.5
111.08079	1.2
115.05452	0.4
117.07035	5.3
117.43041	0.3
119.08595	7.0
121.06506	2.6
121.10148	5.9
123.04488	0.4
123.08086	7.8
123.11739	0.4
125.06014	1.5
125.09629	1.3
127.03870	1.5
129.06987	1.8
130.07780	0.9
131.04929	0.7
131.08582	3.1
133.10153	1.9
135.08061	1.4
135.11702	10.9
137.09637	1.4
139.07516	0.6
143.08560	0.6
145.06479	0.9
145.10136	13.5
147.08034	1.8
147.11702	0.8
149.09673	1.0
151.11150	0.4
153.09023	0.4
153.12773	2.1
155.08565	1.3
163.11195	23.0
173.09616	3.4
181.12248	3.1
191.10690	3.3
205.56621	0.3
209.11769	5.8
227.12819	4.2
265.14362	0.4
267.15921	1.3
283.15421	100.0
284.15781	1.3
316.26816	0.4
353.15808	1.0
459.27585	1.4
491.26456	43.0
492.26764	1.0
509.26953	0.4
688.39172	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.1
54.12841	1.2
55.01868	4.8
55.05514	7.0
57.03442	6.2
59.05004	2.5
59.95027	1.2
61.02915	3.6
64.26334	1.4
66.09513	1.1
67.05503	9.2
69.03422	1.5
69.07056	4.6
69.83102	7.4
71.04993	1.6
73.02882	1.4
75.59067	1.2
79.05496	14.8
81.03413	8.8
81.07064	13.3
83.01357	5.2
83.04982	9.6
83.08613	9.4
85.02898	5.5
91.03946	1.7
91.05473	9.4
93.07034	12.3
93.17094	1.2
95.04976	4.1
95.08601	5.6
97.02876	2.9
97.06517	4.1
99.04456	3.0
102.83756	1.3
105.07014	6.1
107.04981	4.8
107.08585	8.9
109.06510	5.3
109.10169	2.3
111.04413	2.3
117.07010	4.8
119.08587	5.2
121.06493	2.8
121.10152	5.3
123.08090	5.5
129.05498	1.7
131.08575	2.1
133.10126	2.9
135.08047	1.8
135.11710	7.5
141.79784	1.2
145.09094	1.4
145.10130	8.5
155.08607	1.3
163.11174	14.8
173.09598	3.4
181.12212	3.1
194.18695	1.2
209.11739	6.0
227.12805	4.1
283.15396	100.0
372.28369	1.4
413.80804	1.3
491.26355	49.2
627.45435	1.5
667.79663	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	686.4476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19199	0.6
53.03948	1.4
55.01875	0.8
55.05515	12.4
55.92891	0.5
57.03442	14.7
57.07074	2.0
59.05007	4.1
60.69270	0.5
61.02930	5.1
65.03947	2.4
67.05509	100.0
68.05834	0.6
69.03432	1.8
69.07072	8.7
71.05001	3.5
71.17080	1.5
73.02922	1.2
73.77812	0.6
79.05499	19.2
79.56274	0.6
81.03441	1.3
81.07062	39.2
83.05000	1.1
83.08633	9.2
85.02916	4.4
85.06561	3.2
89.65998	0.5
91.03970	1.6
91.05485	13.3
92.41303	0.6
93.07051	25.6
95.04980	2.2
95.08614	25.7
97.02906	2.5
97.06541	1.2
97.10168	2.3
97.46118	0.7
99.08121	0.7
105.07030	7.3
107.08605	14.3
109.06490	0.9
109.10162	84.1
110.10472	1.2
111.08092	3.7
117.07048	2.3
119.08588	11.9
121.10152	11.1
123.11711	3.9
125.09668	1.7
131.08577	6.0
133.10094	4.1
135.11707	6.6
137.09624	3.0
137.13211	1.4
139.11122	0.7
145.10147	3.9
145.11115	0.6
147.11716	4.3
149.13260	3.7
151.14806	0.6
155.10690	3.7
159.11690	3.3
161.13274	2.5
163.14816	2.4
173.11772	23.7
173.13263	2.8
175.14793	1.3
177.16379	0.9
177.86548	0.6
187.14818	1.7
189.11189	0.9
227.12772	4.6
229.14369	98.6
230.14708	1.2
233.22655	0.8
243.21120	4.8
252.15947	2.2
261.22171	15.1
279.23315	0.6
287.05576	1.3
317.24841	2.9
335.25833	64.1
336.26144	2.3
337.27234	0.9
379.29880	0.9
397.30981	1.2
415.32297	1.1
471.34589	1.8
489.35782	42.6
490.36081	2.3
491.48349	0.7
507.37027	4.3
599.18970	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.1
55.01874	1.1
55.05508	10.2
57.03439	11.8
57.07066	3.2
59.04994	3.9
61.02924	4.1
62.75043	1.3
65.03933	1.8
67.05502	87.5
67.94781	1.0
69.03419	1.6
69.07068	7.4
69.11169	1.1
70.86620	0.9
71.04989	3.2
71.08642	2.0
71.60060	0.8
71.60467	1.4
72.84894	1.0
73.02894	1.4
79.05490	15.7
81.03410	2.1
81.07053	33.5
83.04974	1.6
83.08614	7.4
85.02898	3.1
85.06538	2.7
91.03979	2.2
91.05473	13.7
93.07034	22.2
95.04971	2.4
95.08609	24.1
95.35905	1.0
97.02892	3.3
97.10166	1.5
105.07037	7.7
107.08587	12.1
109.10152	73.4
110.10413	0.9
111.08089	3.5
117.07030	2.3
119.08576	11.1
121.10143	9.2
123.11714	4.1
125.09620	1.8
131.08543	4.8
133.10159	5.8
135.11679	5.4
137.09627	4.2
145.10133	3.6
147.11696	4.6
149.13292	5.2
150.65419	1.1
155.10692	4.2
159.11678	4.4
161.13242	1.7
163.11169	0.9
163.14839	2.9
173.11761	23.5
173.13307	3.5
175.14851	1.7
177.16365	1.2
187.14745	1.3
189.11238	1.5
227.12767	6.7
228.62404	1.0
229.14348	100.0
230.14629	1.6
243.21118	5.8
252.15984	4.0
260.41565	1.1
261.22159	15.6
287.05554	4.4
314.27832	1.4
317.24741	3.6
333.37189	1.0
335.25790	70.0
336.25995	1.6
471.34518	2.0
489.35773	38.7
489.42813	2.3
507.36942	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	686.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.7
55.01872	5.2
55.05303	1.0
55.05510	12.4
57.03441	6.7
59.04971	2.0
61.02916	1.1
65.03923	1.5
67.05171	2.0
67.05506	26.1
69.03425	2.6
69.07066	5.9
71.01369	1.3
71.04989	2.8
71.59827	1.7
78.35258	1.0
79.05064	2.1
79.05495	32.5
81.03419	9.2
81.07057	24.6
82.07345	1.2
83.01344	4.6
83.04990	8.3
83.08613	10.3
85.02901	4.4
85.06562	1.1
91.05482	27.4
93.07047	38.1
95.04980	13.0
95.08624	11.8
97.02855	2.5
97.06542	4.1
97.10162	3.9
98.84682	1.0
99.04474	1.1
99.50077	1.0
105.07035	21.5
107.04967	6.5
107.08604	12.8
109.06527	6.5
109.10138	2.5
111.04433	2.0
111.08036	2.4
115.05498	1.5
117.07056	8.6
119.08580	13.1
120.08855	1.3
121.06488	3.0
121.10139	5.9
123.08061	7.2
128.06235	1.4
129.07045	5.5
131.08551	3.2
133.10147	6.1
135.07991	1.2
135.11682	6.6
143.08574	4.3
145.10120	13.1
147.11681	15.0
149.09592	1.3
155.08559	1.4
159.11725	1.3
161.09618	2.4
161.13248	4.5
163.11182	12.7
171.11687	8.6
173.09535	2.2
181.12198	1.4
189.12715	3.3
197.61293	1.3
207.13797	10.6
209.11734	2.5
227.12866	1.4
230.04251	1.2
281.17493	25.6
283.15399	34.0
409.93024	1.1
471.27689	6.9
489.28479	100.0
490.28610	4.9
649.42603	1.3
686.39581	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	685.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
54.07376	3.0
55.01859	4.2
55.05511	18.7
57.03435	14.5
57.06827	3.6
57.07082	44.2
58.52349	2.8
65.03941	3.3
67.05221	3.7
67.05513	38.4
69.03445	16.5
69.07067	13.5
69.47877	5.8
69.48282	22.7
71.04990	4.7
71.08330	3.3
71.08646	28.4
71.71028	2.8
79.05502	16.1
79.19198	2.7
81.02976	5.7
81.03421	73.4
81.07066	41.3
83.04992	35.9
83.08624	31.4
85.02937	15.3
85.03388	2.9
85.10168	17.8
91.05482	23.1
93.07040	11.9
95.04975	22.3
95.08605	32.1
97.02880	14.9
97.06565	4.1
97.10175	10.7
99.04469	5.9
105.07042	14.4
107.04970	5.1
107.08606	10.3
109.02856	8.7
109.06518	4.6
109.10180	17.7
111.04451	9.4
111.08070	9.7
119.08599	12.9
121.10110	8.7
123.08045	3.2
123.11720	4.8
127.03914	9.1
129.05492	11.9
129.07025	6.9
131.08585	8.6
133.06454	2.8
133.10141	8.3
137.13197	2.8
145.10217	3.5
147.08046	3.4
147.11679	13.9
149.09547	3.3
157.10141	12.0
161.65245	2.8
163.11241	5.1
165.12762	4.1
175.11195	13.2
193.12262	48.4
211.13335	58.1
227.12773	3.9
229.14291	7.6
229.31380	3.0
239.23604	7.7
252.16095	3.6
267.15857	17.7
285.16977	12.2
306.27899	11.0
313.27374	100.0
355.17712	6.9
411.19986	3.5
426.22229	3.8
429.21246	23.3
505.38770	18.6
523.39972	90.3
524.40155	6.3
573.48529	6.2
667.44562	31.0
685.44629	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	685.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.9
55.01866	5.9
55.05517	21.0
56.29774	2.1
57.03422	8.9
57.07074	37.1
67.05495	30.1
69.03411	11.4
69.07071	14.5
71.04974	4.9
71.08633	26.1
71.47098	5.0
72.37837	2.4
79.05483	14.7
81.03415	65.5
81.07047	33.0
83.04975	34.4
83.08615	17.2
85.02907	14.1
85.10167	11.9
85.82142	2.4
89.06045	2.4
91.05470	18.8
93.07024	12.5
94.86890	2.5
95.04980	16.3
95.08611	25.5
97.02884	10.2
97.10172	7.2
105.07047	12.5
107.04950	3.1
107.08575	5.7
109.02857	6.1
109.06510	3.9
109.10139	15.8
111.04425	10.8
111.08044	8.9
119.08562	16.6
121.06507	3.4
121.10132	9.9
123.11659	5.5
127.03905	6.5
129.05496	12.5
129.06975	6.5
131.08577	5.9
133.10107	7.1
135.11569	2.5
142.07732	2.8
145.10132	5.7
147.08096	2.4
147.11662	14.8
149.09601	4.1
157.10098	9.6
163.11156	4.2
165.12794	2.6
175.11185	9.8
181.12312	2.6
191.10718	4.6
193.12279	28.7
211.13287	46.4
227.12715	9.2
229.14378	8.0
239.23639	3.3
252.16072	3.1
261.21994	3.0
267.15805	15.4
285.17056	12.2
301.14499	2.8
306.27814	8.3
313.27335	56.5
314.27850	3.6
355.17703	3.9
381.82983	3.3
383.27383	3.4
411.20212	3.0
429.21069	19.6
451.68155	3.1
493.58008	3.2
496.66385	2.7
505.38690	8.2
523.39954	100.0
524.40216	8.6
667.44537	20.0
668.44537	3.2
685.43671	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	684.395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.0
53.03942	3.4
55.01862	1.5
55.05510	6.7
57.03434	2.3
61.02929	2.0
65.03938	0.9
67.05170	1.5
67.05508	21.7
69.07063	4.3
71.05011	1.1
71.60114	1.7
79.05495	28.3
81.03416	4.2
81.07056	16.1
83.04989	5.6
83.08616	4.2
85.02911	3.0
85.06531	1.5
85.91895	1.0
87.04522	0.9
91.05474	22.2
93.07046	32.3
95.04961	9.6
95.08604	10.2
97.02888	1.7
97.06529	3.0
97.10165	1.2
105.07035	18.1
106.07401	1.1
107.04964	3.0
107.08611	8.4
109.06546	3.0
109.10170	3.0
111.08089	1.7
113.06099	1.0
117.07019	4.8
119.08582	10.3
121.06518	1.6
121.10150	3.3
123.08089	2.7
128.06277	1.0
129.06985	7.8
131.08594	2.0
133.10124	6.5
135.11725	2.1
143.08623	4.5
145.10120	5.9
146.32576	0.9
147.11688	17.6
148.12042	1.1
156.09297	1.4
159.11610	1.4
161.09604	3.0
161.13243	5.6
163.11093	1.1
171.11708	13.3
171.85553	0.9
189.11330	1.0
189.12769	6.8
207.13812	15.7
225.14890	2.8
236.16611	1.4
252.15982	1.0
281.17484	38.8
304.26370	1.4
323.05649	1.2
335.26114	1.6
346.16406	1.5
458.13446	3.3
469.29709	1.8
474.42358	1.0
487.30569	100.0
488.30933	6.9
491.10211	1.4
509.10886	2.7
535.12531	1.6
543.36743	2.1
553.13818	3.2
597.24463	4.4
643.12573	1.1
684.44366	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	684.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46477	0.7
53.03950	2.9
53.04184	0.7
54.88363	0.6
55.01882	2.4
55.05518	10.7
56.05849	2.7
66.73109	0.8
67.05513	1.5
67.81023	0.8
68.99824	0.9
69.03427	7.1
69.07059	1.2
70.06593	4.0
71.04997	1.4
71.06901	0.8
71.60894	1.9
72.08139	1.8
73.02930	1.8
78.83403	0.8
79.05502	2.4
81.03430	11.9
81.07059	2.2
82.06583	2.2
83.04987	1.6
83.06932	1.0
83.08633	7.5
84.05296	0.9
84.08151	1.4
84.08981	2.5
85.02912	17.5
85.06535	1.1
86.09715	1.2
87.00835	6.3
87.90801	0.7
91.05469	1.7
93.07043	1.2
95.04984	2.6
95.08618	1.6
96.95095	0.8
97.02895	8.2
98.09711	1.6
99.04466	3.0
100.07626	2.6
100.11264	43.8
101.07953	1.2
101.11588	24.1
102.11364	0.9
102.11962	3.3
103.05493	1.4
105.01862	5.9
105.07045	1.2
107.04971	5.4
108.04526	1.3
109.02880	8.7
109.10186	1.8
110.06068	1.1
111.04457	5.6
112.04803	3.0
112.07574	0.8
113.05048	1.2
113.07991	0.9
115.05473	2.9
117.07040	7.7
117.13981	0.9
120.08070	0.7
120.77792	0.7
123.04461	2.1
124.05215	1.2
125.85891	0.7
127.03926	12.5
127.08691	1.0
128.07057	4.0
129.01888	1.4
129.07388	1.7
129.10196	0.9
131.08597	1.0
133.06471	0.8
138.73277	0.7
139.08687	2.9
140.07080	1.4
140.09007	1.5
141.07172	0.7
144.05766	1.9
145.04996	4.4
145.06517	22.5
155.06044	2.0
156.05725	3.0
157.06555	1.3
159.02893	4.0
159.08052	3.7
161.06020	1.6
165.82185	0.8
166.15965	1.0
167.05634	1.9
167.07054	34.8
173.05998	38.4
175.07588	2.2
177.05528	0.9
180.06517	1.0
182.15428	11.1
183.15765	10.9
184.05370	1.2
184.16069	6.1
185.16273	2.1
187.07529	5.3
190.06256	17.7
191.07053	1.2
193.08641	1.7
195.06410	0.8
198.07672	0.9
202.06329	2.1
203.07072	5.3
205.08615	68.2
207.06612	1.2
207.10219	1.1
209.16507	8.8
210.14944	9.6
210.16893	9.7
211.15288	12.7
211.17191	5.4
212.15485	8.9
212.17276	1.2
213.15759	4.1
217.08607	26.9
219.10269	2.9
220.09030	1.0
220.15001	1.2
223.09760	1.3
226.19203	1.7
227.19577	1.9
228.15959	0.9
228.17844	1.0
228.19795	1.0
230.16512	1.2
231.05048	2.7
231.08144	1.1
231.10229	1.0
235.09656	20.9
235.11789	1.4
247.07509	1.1
247.09750	5.5
248.08232	2.0
263.10718	1.4
265.10739	35.1
269.08197	1.0
271.10019	1.2
276.08356	0.9
279.10214	1.5
291.10269	1.3
307.09769	1.0
311.50378	1.0
315.08536	4.2
323.12872	1.2
327.28284	1.7
328.28662	1.1
330.10938	8.9
331.11850	3.1
333.23593	1.6
337.11063	0.9
338.23294	1.1
342.23871	1.1
343.11703	1.4
351.12387	3.2
351.24448	8.9
351.74808	4.1
353.10986	0.9
358.19949	1.7
359.23343	4.5
359.73660	1.8
368.12454	1.0
369.13388	1.5
371.14978	3.3
383.14929	9.7
401.15961	19.7
417.15448	0.9
431.71964	0.9
454.12930	0.8
455.36533	1.0
462.85077	0.7
515.99866	0.8
665.51233	9.7
666.51093	1.4
683.52338	100.0
684.52686	13.6
684.64392	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	13.0
55.01869	12.8
55.05513	15.8
57.03432	11.0
57.07079	42.0
67.05506	36.7
69.03418	14.6
69.07080	12.8
69.41347	24.2
71.04986	11.2
71.08634	28.9
78.05560	2.9
79.05508	18.3
81.03422	100.0
81.07064	32.4
83.04977	23.4
83.08630	18.9
85.02911	8.0
85.10191	14.7
91.05472	9.6
93.07053	24.9
95.04977	6.4
95.08600	29.5
97.02883	30.7
97.06508	6.6
97.10175	9.4
98.20708	5.7
99.04452	10.4
99.08083	3.7
105.07031	5.7
107.04961	4.5
107.08614	14.4
109.02897	30.7
109.06554	4.1
109.10162	22.2
109.36078	2.5
111.04449	28.2
111.08091	10.8
117.07087	3.5
119.08577	7.9
121.06509	2.4
121.10123	9.0
123.08120	3.3
123.11691	3.9
127.03907	20.9
131.08575	2.8
135.11678	16.3
144.53183	2.8
145.10150	14.4
153.12750	20.4
163.11220	27.1
173.09612	5.1
181.12274	24.8
183.06644	4.1
191.10710	22.3
209.11719	9.1
217.81992	3.2
227.12802	47.5
239.23734	6.3
283.15433	21.8
301.16379	3.4
313.27390	93.3
341.26944	5.4
353.15857	19.2
427.19681	44.4
521.38165	12.9
539.39276	9.3
665.42639	40.0
683.44238	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	678.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10498	0.5
53.03934	1.5
55.01868	4.6
55.05507	8.9
57.03443	7.4
59.05005	0.8
61.02929	3.7
65.03922	1.1
65.25052	0.6
67.05502	26.8
69.03429	3.8
69.07067	8.8
71.04984	4.5
71.59756	0.7
73.02913	1.6
77.00898	0.6
77.03896	0.5
79.05491	14.4
80.05798	0.6
81.03415	30.0
81.07056	28.4
82.07379	0.6
83.04979	10.5
83.08617	10.8
85.02904	11.7
85.06541	3.9
91.03952	0.9
91.05478	31.5
93.07040	15.8
95.04964	14.1
95.08611	6.9
97.02876	2.8
97.06503	3.3
97.10159	2.2
99.04450	2.4
99.08079	1.2
105.07030	24.9
106.07381	0.8
107.04939	2.4
107.08598	22.4
108.08937	1.1
109.02843	0.8
109.06509	5.6
109.10153	35.7
110.10493	0.7
111.04411	1.6
111.08084	4.5
113.06034	2.9
115.05454	0.9
117.07000	0.9
119.08576	8.4
121.06464	1.1
121.10125	4.0
123.08086	1.4
123.11711	6.5
125.09602	1.5
127.03888	0.7
127.07540	2.9
129.06984	4.7
131.08575	5.6
133.06496	1.3
133.10127	53.6
134.10471	0.9
135.11658	0.7
137.09558	1.4
139.11165	0.6
142.07751	1.1
143.08545	0.8
145.10083	1.9
147.08026	2.2
147.11688	5.3
149.09656	3.0
151.09946	1.2
151.11180	22.9
152.11496	0.7
157.10124	7.5
161.09604	2.2
163.11229	1.5
165.12782	1.2
169.12238	3.7
175.11185	8.0
179.10585	1.2
184.07344	2.0
192.07997	0.6
193.12239	19.1
194.12599	0.7
211.13278	35.5
215.12781	1.4
241.10899	0.8
253.14345	100.0
254.14697	2.9
255.15813	0.8
267.15955	7.2
271.15390	21.8
272.15704	0.6
283.15347	0.7
285.10220	1.0
285.16962	21.7
287.05634	0.7
334.17865	0.7
344.99554	0.6
351.18259	0.8
352.18695	0.8
395.27731	0.8
445.25854	5.9
463.26843	15.9
464.27255	1.0
480.17795	1.3
481.27988	53.3
482.28293	2.3
498.18481	1.4
516.19476	2.2
678.40503	0.8
679.33301	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	677.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.1
55.01871	2.9
55.05510	15.5
56.17129	1.0
57.03441	10.3
57.07072	5.0
61.02931	20.3
65.03933	2.8
67.05505	80.6
69.03429	3.9
69.07069	14.7
69.40818	9.7
71.04992	2.9
71.08606	1.9
73.02913	7.4
79.05492	45.5
81.03417	4.4
81.07057	93.9
83.04974	3.6
83.08615	10.9
85.02910	24.2
85.06541	4.7
91.03959	19.4
91.05480	27.1
93.07044	63.2
94.07401	1.1
95.04972	5.2
95.08607	73.6
95.33865	1.1
97.02890	11.5
97.06519	4.5
97.10139	5.8
98.21483	1.2
99.04453	3.4
99.08086	2.4
105.07028	21.9
107.04951	1.8
107.07870	2.3
107.08596	42.5
109.06500	2.9
109.10158	43.4
109.10925	2.4
111.04544	1.1
111.08094	3.1
111.11756	1.5
117.07025	10.2
119.08575	22.4
121.10146	40.2
121.11025	2.5
123.08035	2.3
123.11706	18.9
125.09630	3.3
127.03924	9.1
129.06966	1.7
131.08560	22.6
133.10123	16.2
135.11700	29.5
137.09557	3.0
137.13274	8.1
139.11180	3.3
145.04955	9.9
145.10120	19.5
147.11702	16.3
149.09627	1.4
149.13268	26.4
151.11150	2.7
151.14790	1.9
153.12688	1.4
157.18858	1.2
159.11707	17.7
161.13277	13.4
163.06029	12.7
163.11177	1.4
163.14832	16.2
165.12769	3.7
165.16435	1.2
173.13251	16.3
175.14836	4.9
177.12827	2.7
177.16347	5.7
179.14322	3.0
187.14798	10.6
191.14297	2.2
193.04878	1.8
201.16373	3.3
205.15881	2.9
215.18040	2.5
219.17558	1.5
233.22638	4.8
243.21063	32.6
261.22141	100.0
262.22406	1.5
263.23734	1.3
269.17078	1.4
279.23126	6.5
335.25800	39.0
350.17664	1.7
353.26859	44.1
356.34991	1.4
369.24045	1.2
424.68024	1.2
431.11984	1.9
479.30417	1.9
497.31210	8.6
661.37543	1.3
677.31036	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	676.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.9
55.01870	4.7
55.05505	15.0
56.05837	1.9
57.03436	10.0
61.02927	3.5
67.05173	2.8
67.05507	35.6
69.03415	3.8
69.07074	14.2
69.14378	1.7
69.82769	2.7
69.83185	7.2
71.04974	4.8
73.02925	2.1
79.05491	26.5
79.34063	1.7
81.03423	37.9
81.07056	47.9
83.04988	15.1
83.08212	1.9
83.08633	21.2
85.02910	16.4
85.06540	2.9
91.03951	5.0
91.05484	25.0
93.07040	32.4
95.04974	19.7
95.08605	13.2
97.02883	6.1
97.06527	9.1
97.10155	4.3
99.08086	2.7
105.07037	14.7
107.04942	4.1
107.08588	20.8
109.06518	4.4
109.10149	7.8
111.08088	11.0
117.06990	4.4
119.08587	15.0
121.06487	2.0
121.10157	13.6
123.08038	2.4
123.11669	3.0
125.09642	2.3
129.06989	7.5
131.08586	10.7
133.06451	1.5
133.10123	13.3
135.08066	2.2
135.11720	4.3
145.10130	1.9
147.11714	8.5
149.09615	5.0
149.13223	13.6
157.10133	7.5
159.11685	5.2
163.11227	2.0
165.12753	2.6
175.11232	9.7
177.12698	1.9
184.07356	1.7
193.12241	25.8
195.13808	4.2
211.13290	37.4
267.15900	26.4
269.17474	54.5
283.15445	2.7
285.16940	39.1
317.00131	1.8
323.14804	1.9
344.28580	1.9
432.82901	1.8
461.28973	66.6
479.30090	100.0
480.30133	2.9
580.21484	2.5
623.34967	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	677.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.8
60.80257	0.5
66.81323	0.5
67.05502	1.4
69.07111	0.6
69.48995	1.4
69.49416	3.1
71.84178	0.5
81.07063	1.5
83.08622	0.5
85.02915	0.6
91.05477	0.9
93.07052	1.3
95.04989	0.6
95.08613	0.6
105.07051	0.8
107.08628	0.6
109.10155	0.7
119.08643	0.9
121.10168	0.6
133.10172	0.7
163.11177	0.7
184.69815	0.6
185.04251	0.8
193.04958	1.3
203.05348	1.4
229.56548	0.5
256.26422	1.9
259.07941	1.4
286.50024	0.6
297.25531	0.5
333.24997	1.0
336.17081	0.6
347.09567	1.7
365.10571	3.1
421.13153	1.8
442.82001	0.5
514.81189	0.6
515.31891	25.2
590.22797	0.7
677.37170	100.0
678.37421	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	676.354
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23604	0.5
53.03934	1.1
55.05510	3.5
56.05017	0.6
57.03416	1.6
57.07042	0.6
60.08144	0.7
61.02889	1.1
62.06060	0.8
67.05502	9.1
69.03429	6.6
69.07074	3.5
70.06547	2.1
71.08629	6.6
71.59715	0.7
71.60064	0.6
72.08144	3.0
73.02894	1.0
79.05496	3.2
81.03425	3.6
81.07058	16.8
83.04955	1.3
83.08585	1.6
84.08117	1.9
85.02905	5.3
85.06504	2.5
86.06068	18.8
86.09673	1.7
87.04434	0.9
91.05492	3.9
93.07047	4.1
95.04926	1.7
95.08609	3.7
96.08128	4.2
97.02905	2.8
97.06513	1.1
97.10165	0.9
98.06017	1.4
98.09689	6.7
99.04404	0.6
99.08091	7.5
105.06999	2.4
107.08582	2.6
108.08081	1.8
109.02853	1.9
109.06500	1.2
109.10142	3.4
112.07579	0.6
114.09143	0.9
116.10731	53.5
117.06932	0.9
119.08557	1.6
120.08083	0.6
121.10146	1.5
122.09639	3.0
123.11724	3.3
124.07526	0.9
124.99942	0.6
126.09131	1.4
127.03907	3.3
131.08586	0.7
133.10126	3.7
134.53534	0.5
135.11658	1.5
136.11200	1.0
140.10622	1.2
142.08624	1.3
142.12213	1.9
143.10640	4.8
145.04846	0.8
145.10114	1.0
151.11124	1.7
158.11737	0.5
165.12698	0.6
170.09982	0.7
184.07330	4.2
187.13324	2.6
193.12308	0.8
196.16885	1.3
197.15308	1.4
198.84732	0.6
208.20619	1.4
211.13252	0.7
213.14850	3.1
214.18024	16.2
222.22139	0.7
224.20123	3.4
229.14258	0.6
236.20070	3.0
238.21674	0.6
243.12132	0.7
248.20062	2.7
250.21700	2.6
255.16028	0.6
257.04401	0.7
261.13351	2.7
266.21173	10.6
267.09195	0.8
267.15820	1.1
267.72153	0.5
268.22708	17.1
269.12714	0.6
269.23007	1.2
271.15384	0.6
284.22195	79.1
285.10022	1.4
285.22604	1.7
287.05539	0.8
312.21777	1.7
330.22723	8.0
354.22800	1.1
364.28064	2.6
365.15283	1.0
372.23853	7.2
376.23309	0.6
382.29416	2.0
398.21790	2.2
416.22794	100.0
417.23138	4.2
428.30225	2.0
461.28940	1.5
462.23224	1.7
469.93933	0.5
470.31003	1.5
479.26199	1.4
496.28641	3.0
497.18256	1.5
514.30066	27.4
515.19250	2.1
515.30310	1.4
578.28137	17.8
579.28479	1.2
638.42987	0.6
676.35352	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	676.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09003	1.2
55.01859	1.5
55.05501	4.4
57.03434	3.3
61.02925	2.3
62.06070	1.9
67.05508	15.7
69.03417	6.0
69.07053	4.9
70.06593	2.1
71.01348	1.6
71.08636	8.7
72.08157	3.5
79.05478	5.6
81.03429	8.1
81.07059	22.0
83.08611	3.5
84.08138	4.0
85.02908	7.6
85.06538	2.3
86.06068	21.9
86.09690	3.7
91.05483	6.3
93.07040	5.4
95.04995	2.4
95.08597	6.0
96.08133	3.8
97.02875	4.4
98.09675	7.2
99.04454	1.6
99.08102	9.5
99.27955	1.4
105.07019	3.4
106.07361	1.3
107.08576	5.1
108.08122	4.1
109.02904	2.5
109.10162	4.2
114.09218	1.6
116.10738	56.3
119.08584	3.6
121.10139	3.1
122.09645	2.8
123.11676	2.3
125.00053	2.2
127.03919	6.4
129.05502	1.7
131.08545	1.7
133.10130	4.9
135.11694	2.6
143.10640	4.2
145.10103	1.9
146.31239	1.2
151.11143	1.9
153.28564	1.2
154.90002	1.3
157.10164	1.7
166.15894	2.1
184.07364	10.0
187.13286	4.7
196.16963	4.3
197.15430	2.0
210.83644	1.3
211.13480	1.8
213.14824	3.5
214.18025	52.5
224.20049	1.8
229.55244	1.5
236.20120	3.0
244.09337	1.3
248.19969	2.2
252.83713	1.3
261.13278	3.2
266.21204	12.2
268.22723	17.8
283.15390	3.1
284.22220	80.8
312.21689	1.8
330.22717	12.8
339.45334	1.6
364.28397	1.6
369.23752	1.4
372.23932	7.6
376.23193	7.0
382.29718	1.9
398.21518	2.4
416.22812	100.0
428.30103	3.0
461.29266	2.0
479.17188	3.2
479.26181	2.5
496.28650	2.8
497.17871	3.2
514.30170	30.1
515.19031	4.4
574.76166	1.6
578.28149	23.6
626.22919	1.9
632.35858	1.5
676.35431	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	676.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
53.30619	0.3
55.01875	1.4
55.05509	3.0
56.96561	0.6
57.03433	3.3
61.02925	6.6
62.96466	0.3
67.05504	5.7
69.03431	2.2
69.07068	1.1
70.06615	0.3
70.72092	1.1
71.01357	0.6
71.04987	1.3
72.08164	0.7
73.02913	3.2
75.04476	0.4
77.76414	0.3
79.05484	5.8
79.83424	0.3
81.03413	68.4
81.07047	5.7
81.07512	0.4
83.04977	2.7
83.08616	19.2
84.08162	0.5
85.02423	0.6
85.02904	10.0
85.06575	0.4
86.06013	0.3
86.09681	0.6
91.03954	7.0
91.05475	9.0
93.07037	3.7
95.04965	22.3
95.08598	2.1
97.02883	6.1
97.06522	1.1
97.10137	1.9
97.99571	0.4
99.04448	0.9
99.08087	0.6
105.07024	6.0
107.04951	6.3
107.08578	2.7
109.02856	1.2
109.06514	1.9
109.10152	1.6
111.04447	1.9
111.08076	10.7
115.03917	0.5
115.05457	0.7
117.07025	0.8
119.04952	0.7
119.08575	7.1
120.08044	0.5
121.02864	0.4
121.06500	2.1
121.10119	3.8
123.04440	2.1
123.08025	0.6
123.11664	0.4
125.09613	0.6
127.03938	3.6
129.07007	5.5
131.04900	0.7
131.08557	5.5
133.06512	1.9
133.10132	3.6
135.08026	1.0
135.11687	1.0
136.07562	0.4
137.05978	0.6
137.09596	0.8
142.07780	1.0
143.08554	0.4
145.04977	3.4
145.10138	1.2
147.04396	1.1
147.08060	2.7
147.11687	5.2
149.05905	0.6
149.09618	4.2
151.07536	0.4
153.09053	0.6
157.10118	8.6
159.07944	0.4
161.06010	0.9
163.05998	5.8
163.07373	0.4
163.11195	1.4
165.12743	1.8
167.07007	0.7
171.11655	0.4
173.09593	0.5
175.11180	11.7
175.14795	0.5
185.09610	0.5
189.05457	0.5
189.12778	0.7
193.12236	59.6
194.12563	0.9
201.09167	0.4
207.13774	0.9
211.13280	4.7
217.12296	0.4
235.13310	3.6
249.14603	0.6
259.13275	2.5
267.15906	28.6
273.14917	0.9
285.16953	100.0
286.17151	2.0
287.05505	2.8
299.18494	2.0
301.14417	1.7
309.16965	15.8
313.11591	1.0
317.19577	0.5
325.11404	0.6
327.17978	3.6
337.16827	0.4
351.18115	3.5
355.16330	0.4
363.18015	5.8
367.17099	0.5
373.13678	2.3
375.18033	2.1
393.18988	3.8
411.20114	2.3
429.21304	2.3
461.12207	0.6
539.14404	0.4
569.15961	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.3383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.0
55.01864	1.8
55.05501	2.6
57.03418	3.0
61.02923	5.5
67.05501	6.8
69.03414	3.2
69.07063	1.2
70.06587	2.1
71.01347	0.7
71.04979	1.2
71.58997	1.1
72.08151	1.1
73.02898	2.6
76.04059	0.8
77.55511	0.8
79.05486	4.8
81.03412	61.8
81.07044	6.9
82.03725	1.0
83.04958	2.8
83.08616	15.3
85.02892	9.2
86.09720	1.6
91.03944	5.5
91.05479	8.0
93.05046	0.9
93.07018	4.4
95.04964	22.3
95.08602	2.7
96.05238	0.8
97.02883	6.4
97.06551	1.3
97.10146	1.7
97.77271	0.7
98.97533	0.8
99.04436	1.1
105.07008	7.8
107.04960	6.4
107.08569	3.1
108.04343	0.7
109.02879	1.7
109.06492	2.1
109.10156	1.6
111.04432	2.3
111.08070	7.3
115.05392	1.2
119.04888	0.8
119.08571	7.7
121.06450	1.6
121.10176	4.1
123.04400	1.9
123.08035	1.3
125.09649	1.3
127.03912	3.2
129.07010	5.2
131.08551	5.9
133.06467	2.7
133.10158	3.9
135.08051	1.3
135.11729	1.2
137.09613	1.4
142.07756	1.2
145.04932	2.4
145.10147	1.9
147.04356	0.8
147.08011	2.9
147.11668	5.2
149.09595	5.4
157.10118	7.3
163.06006	6.4
163.11192	1.8
165.12718	2.5
171.11719	1.0
175.11172	11.4
193.12233	57.0
194.12621	1.8
207.13857	0.7
211.13304	5.8
235.13231	4.6
259.13327	2.3
261.02997	0.7
267.15909	36.3
268.16232	1.6
273.14777	1.7
285.16946	100.0
286.17215	3.2
287.05475	33.2
289.14664	1.0
301.14426	2.0
309.16956	16.1
310.17633	0.8
313.11765	1.5
315.13248	1.8
327.18277	1.7
337.16422	1.2
351.17981	2.8
363.18048	5.9
373.13779	2.0
374.21609	1.0
375.17938	3.9
393.18991	3.5
411.20193	3.8
429.21182	12.4
449.10657	5.2
461.23303	0.9
500.36945	0.8
539.16339	1.0
591.26270	1.8
618.28638	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.2665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	0.8
55.26085	0.4
66.45902	0.4
67.05495	2.2
69.03425	0.6
69.95268	1.3
69.95680	0.7
72.44325	0.4
79.05495	1.4
81.03395	0.8
81.07064	1.2
85.02876	0.4
91.05503	1.3
93.07032	0.7
94.03600	0.4
95.04964	0.9
95.08630	0.5
98.21371	0.6
104.93927	0.3
105.07022	0.6
107.08595	0.9
119.08580	0.7
121.06530	0.6
121.10104	0.4
131.08530	0.4
185.07216	0.4
202.02271	0.4
253.13362	1.6
254.14297	0.5
267.14923	0.5
269.16614	1.6
271.07144	0.4
310.21719	0.4
312.85013	0.4
420.71902	0.4
428.18839	0.4
440.15350	0.4
443.17496	0.6
445.18634	0.5
453.15460	0.6
454.16602	0.9
467.17795	0.9
468.14398	1.3
469.14651	5.8
470.15234	1.8
471.16595	1.4
478.28741	0.8
480.14093	0.6
481.15268	2.0
482.15955	8.1
483.16626	7.8
484.17450	1.8
485.18115	1.6
487.16309	0.6
495.16562	3.2
496.17526	5.2
497.18234	31.6
498.18707	5.1
499.19629	1.2
500.16617	0.6
501.17899	0.5
510.19147	1.9
511.19940	5.2
512.20276	2.0
513.18018	1.1
514.18262	0.6
515.19763	2.6
523.16699	0.5
525.18665	0.4
528.16455	1.4
529.17603	0.5
538.20795	1.4
539.19385	0.7
542.18396	1.5
555.18823	3.8
556.19592	3.1
557.20319	3.6
558.20642	0.6
571.21912	0.5
573.22296	0.7
597.22723	0.8
613.26440	0.6
616.21948	1.2
617.22729	1.0
625.22614	0.6
629.22748	0.6
643.24066	6.3
644.24902	6.3
645.23480	1.2
657.25555	5.3
658.25494	0.6
660.24518	1.2
675.26617	100.0
676.26953	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	675.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30508	0.2
55.01835	0.4
55.05467	0.3
58.04245	0.2
67.05475	0.6
68.17081	0.2
69.03377	0.3
69.07021	0.3
69.93132	1.4
73.02868	0.6
79.05441	0.8
81.03358	0.8
81.06995	0.7
84.07381	0.2
85.02869	0.4
87.43846	0.2
91.05439	0.6
93.07031	0.3
95.04935	0.2
95.08567	0.4
105.06978	0.2
107.04873	0.2
107.08557	0.2
111.69943	0.2
129.87970	0.2
149.09529	0.2
157.10074	0.3
181.27670	0.3
193.12199	0.3
198.31554	0.3
203.80823	0.3
220.02296	0.2
440.14798	0.3
441.15262	0.5
443.17184	0.3
444.17816	0.6
445.18771	0.6
453.15439	0.8
454.16525	0.9
455.13184	0.5
456.14328	0.5
457.15024	0.5
467.13208	0.9
467.17953	0.6
468.13690	2.0
469.14682	5.6
470.15424	1.6
471.16571	0.9
472.17599	0.5
479.17722	0.4
480.14014	0.5
481.14639	2.5
482.15869	8.7
483.16635	9.1
484.17380	1.9
485.18484	1.2
487.16272	0.4
495.16666	3.0
496.17438	6.3
497.18246	35.3
498.18805	5.1
499.20056	0.5
500.17084	0.7
501.17676	0.4
509.14099	0.3
510.18951	2.1
511.19778	4.8
512.20520	1.4
513.18140	0.5
515.19379	2.2
523.17157	0.4
524.18506	0.5
527.15918	0.4
527.83295	0.3
528.16119	2.0
529.16516	0.3
537.18994	0.3
538.20911	1.3
539.22284	0.5
541.17230	1.0
542.17822	2.0
543.18860	0.5
555.18701	3.7
556.19476	3.6
557.20245	3.9
558.20697	0.3
569.20428	0.4
571.21594	0.6
573.22705	0.8
613.23883	0.3
616.21356	1.4
617.22253	0.7
625.22620	0.3
629.22906	0.5
630.23724	0.3
643.24023	7.3
644.24725	7.0
645.24268	1.3
657.25592	6.3
658.25775	0.6
660.23956	1.1
675.26611	100.0
676.26892	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	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01872	2.3
55.05512	8.5
57.03442	9.9
61.02918	2.9
65.03955	1.1
67.05502	15.6
69.03431	3.4
69.07059	4.6
70.06596	2.1
71.05019	5.0
73.02943	1.3
74.89496	1.0
74.92877	1.1
79.05489	15.3
81.03418	72.0
81.07059	18.3
83.04989	7.9
83.08620	19.5
85.02908	13.2
85.06570	1.2
88.07614	1.6
91.03947	1.8
91.05481	19.3
93.07055	12.9
95.04969	22.7
95.08611	9.0
97.02890	4.1
97.06522	3.8
97.10156	4.8
105.07026	15.1
107.04948	6.0
107.08604	7.4
109.04570	1.1
109.06516	3.6
109.10154	3.9
111.04439	2.5
111.08081	7.7
113.05959	2.0
115.05427	1.4
117.07056	1.8
119.04926	1.3
119.08575	14.2
121.06555	2.2
121.09423	0.9
121.10143	5.8
123.08094	2.7
125.09637	1.5
129.07014	8.1
131.08560	10.5
133.06496	3.0
133.10149	8.5
135.11696	1.5
137.05910	1.2
137.09619	1.2
142.07706	1.7
145.06537	2.8
145.10100	2.6
147.08060	3.7
147.11697	10.9
149.02353	2.8
149.09645	5.2
152.82594	1.1
157.10139	13.0
159.11667	1.9
163.11188	2.3
164.88332	1.1
165.12799	2.6
175.11201	10.9
185.13246	1.1
193.05025	1.5
193.10431	1.6
193.12245	32.7
205.12065	1.1
211.13281	25.0
227.12589	1.3
228.23218	2.5
229.14328	2.0
233.15375	1.6
237.07486	1.3
249.14886	2.7
255.13864	1.7
267.15918	100.0
273.14856	4.0
285.16946	25.9
301.13983	1.2
349.21542	3.5
367.22775	9.9
385.23712	11.7
403.24554	2.5
405.24271	1.3
407.44791	1.1
433.25916	13.5
441.26416	5.9
459.27426	64.5
473.13989	1.1
477.28476	40.5
519.29456	1.4
576.36804	1.5
585.30609	1.3
674.34900	8.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70742	1.9
55.01854	4.3
55.05507	18.8
57.03439	11.4
61.02928	3.4
65.03936	4.7
67.05167	2.8
67.05508	36.8
69.03423	3.4
69.07067	11.4
70.86460	4.5
71.04987	6.0
72.29079	1.8
73.36692	1.7
79.05493	37.2
81.03418	64.0
81.07060	44.6
82.07361	1.9
83.04982	23.2
83.08617	19.9
85.02906	17.1
85.06532	3.1
86.09724	3.0
87.22578	1.9
91.03941	2.3
91.05485	64.4
93.07043	33.2
95.04967	27.1
95.08612	15.0
97.02898	6.2
97.06525	6.7
97.10167	3.2
99.08103	4.8
105.07033	36.6
107.04964	23.3
107.08596	7.6
109.06533	7.0
109.10167	6.8
111.08086	9.1
113.05973	2.9
117.07034	4.6
119.08585	26.7
121.06492	2.5
121.10161	11.2
123.11682	2.1
129.06995	16.1
131.08598	16.7
133.06537	4.6
133.10136	24.7
135.11726	4.5
142.07730	3.7
145.10109	7.0
147.08060	3.6
147.11685	25.9
149.09630	9.3
151.11176	2.1
153.41330	2.0
155.08466	2.2
157.10127	21.8
163.11203	7.7
165.12790	2.6
175.11183	17.9
185.13196	2.4
193.12256	41.2
204.08536	2.3
211.13322	34.2
237.32671	2.3
251.16855	2.0
267.15924	89.8
284.35986	2.1
285.16956	23.6
286.17465	2.3
287.16357	2.2
338.72787	2.4
393.26804	2.6
459.27441	100.0
460.28052	3.1
477.28464	67.1
498.18494	3.7
636.29163	2.7
674.32239	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	673.3425
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02386	1.6
53.03944	6.6
53.27337	1.4
55.01872	11.4
55.05513	22.6
56.42501	1.3
56.96572	2.5
57.03437	22.9
57.07073	4.2
59.05006	2.9
59.35241	1.2
60.36856	1.2
61.02934	6.5
64.92471	1.1
65.03925	2.3
67.05506	72.5
69.03432	28.7
69.07069	11.4
70.06593	1.6
71.01356	2.4
71.04993	8.5
73.02917	26.6
79.05132	0.8
79.05493	36.5
81.03419	71.8
81.07057	37.3
81.07520	2.4
83.01350	1.5
83.04979	26.2
83.05455	1.9
83.08628	23.9
83.26036	1.1
85.02908	43.3
85.06548	3.1
86.09713	1.3
87.04495	2.2
91.03965	2.6
91.05479	32.6
93.07043	22.5
94.07381	1.6
95.04974	27.6
95.08614	18.2
97.02895	23.4
97.06521	8.4
97.10170	8.3
98.21508	2.9
99.04451	5.4
99.08086	2.1
101.02390	3.8
102.12550	1.4
103.03934	2.1
105.07030	20.6
105.07674	1.8
107.04964	18.6
107.08598	14.8
109.02872	10.6
109.06509	6.8
109.10159	56.6
111.04424	9.4
111.08096	12.7
111.95755	1.3
115.03932	2.1
115.05462	2.0
116.04697	2.2
117.07033	5.2
119.08583	21.4
121.06512	4.0
121.10156	11.9
123.04473	3.6
123.08092	4.8
123.11750	2.7
125.06008	3.3
125.09624	7.1
127.03920	11.2
129.05463	7.0
129.06985	6.9
131.03442	5.4
131.08571	12.9
133.06520	2.2
133.10133	11.9
135.04442	11.4
135.08093	3.1
135.11710	4.5
137.05988	2.3
137.09625	5.0
139.03934	1.8
139.07547	1.6
143.07106	2.1
145.04959	2.6
145.10127	4.9
147.08051	3.4
147.11696	12.0
149.09616	6.8
151.03981	1.6
153.01857	4.3
153.05490	5.1
155.10684	3.7
157.08832	1.6
157.10118	14.6
159.11700	2.0
163.03906	4.0
163.11203	5.4
165.09184	1.9
165.12807	2.5
171.06554	2.3
173.04495	2.5
173.09619	1.9
173.11766	14.5
175.11206	17.3
181.04993	3.6
181.12309	1.8
184.07410	1.4
189.12791	1.9
191.10709	2.9
193.12259	43.2
194.12601	1.5
199.06137	3.1
199.13278	2.0
201.15051	1.4
209.11731	4.2
209.38086	1.3
211.13300	51.7
212.13570	1.6
217.07133	4.5
227.12863	4.5
229.05128	2.6
229.07526	1.4
229.14368	45.4
243.08617	2.1
255.15939	1.8
257.04492	6.6
267.09064	2.5
267.15939	20.1
271.25049	1.4
283.06107	2.2
283.15378	5.9
284.15976	1.9
285.10193	5.5
285.16971	26.5
286.04803	3.0
287.05493	11.2
297.04062	2.7
301.16531	6.1
311.05502	2.5
311.22604	1.3
325.07211	1.6
329.14417	2.5
365.15265	4.5
403.24646	1.5
413.17776	8.7
421.25793	18.0
429.19470	2.1
435.14368	3.3
439.26910	100.0
440.27399	3.1
445.20490	1.8
476.27292	1.6
477.66183	1.4
479.17017	31.7
480.17258	4.1
493.28198	3.8
494.28485	3.6
497.18018	38.1
498.18619	4.7
501.22824	6.4
511.29160	4.8
576.36804	1.6
655.32660	4.2
673.21655	6.8
673.33917	75.6
674.34265	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	673.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.4
55.01866	0.6
55.05506	4.4
57.03419	0.7
59.78162	0.3
61.02912	0.3
61.69293	0.4
67.01871	0.3
67.05500	2.9
69.03400	1.3
69.07043	1.2
70.06591	0.6
71.01334	0.5
71.59382	0.6
73.02914	0.6
79.05493	2.7
81.03417	2.5
81.07065	3.8
83.04955	1.0
83.08618	0.8
85.02908	2.6
85.06522	0.4
86.09683	0.7
91.05460	1.5
93.07059	1.8
95.04945	1.4
95.08582	1.6
97.02882	1.7
97.06492	0.7
97.10151	0.9
105.07014	1.5
107.04964	0.6
107.08574	1.4
109.02852	0.4
109.06528	0.5
109.10149	1.8
111.04419	0.5
111.08020	0.5
117.06989	0.9
119.08544	1.0
120.08072	0.4
121.10136	1.1
123.11661	0.4
125.09647	0.6
127.03915	0.6
129.06985	0.7
129.10289	0.4
131.08562	0.5
133.10115	0.5
135.11670	0.5
139.03906	0.6
140.98663	0.4
145.10114	0.9
147.11627	0.8
151.07536	0.6
153.01823	15.0
157.10080	0.6
159.11671	0.6
161.02228	0.4
161.88054	0.4
163.11249	0.4
165.09122	2.5
171.02931	0.5
171.04372	0.6
173.04611	0.4
173.05980	1.0
173.09579	0.4
185.05998	0.4
191.10652	0.5
193.12161	0.9
200.83485	0.3
201.05441	0.9
203.03435	0.4
209.11726	1.1
211.13277	1.3
227.12762	0.4
229.14334	0.6
257.04382	0.3
265.05023	0.5
267.06512	0.9
267.15955	0.4
279.06622	0.5
281.04434	1.2
282.05203	1.0
283.06140	0.6
285.17056	0.5
287.05548	1.3
294.05087	0.4
295.06030	3.8
297.03983	1.1
298.04678	1.1
299.05594	0.6
307.06210	0.8
310.04626	1.1
311.05478	23.7
312.05768	0.5
319.06180	0.5
323.05493	100.0
324.06052	7.8
325.07016	4.9
335.05438	0.9
337.07010	4.1
349.07025	3.9
350.07706	0.5
351.08511	0.8
353.06589	7.2
362.08002	0.4
363.08420	0.5
377.06357	0.4
407.14890	15.2
408.15308	0.8
417.13428	1.6
433.36404	0.4
435.14377	65.5
436.14694	3.1
451.17535	14.8
452.17908	0.9
453.15439	20.4
454.15881	1.3
479.17010	34.5
480.17142	1.9
493.28152	0.9
497.18073	43.7
498.18414	2.6
511.28629	0.5
611.17377	0.9
629.18719	3.0
630.18695	0.4
637.32196	0.4
655.20306	2.0
655.32025	0.4
673.21124	12.2
674.21613	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	673.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.3
55.01831	0.6
55.05448	2.3
57.03409	0.5
57.95982	0.2
62.29996	0.2
64.23515	0.2
65.03886	0.5
67.01821	0.3
67.05437	6.3
68.99740	0.5
69.03360	0.9
69.06997	1.5
69.45577	1.4
69.45997	0.7
71.04955	0.5
73.02876	0.4
79.05495	2.9
81.03416	3.0
81.07054	5.3
83.04911	1.1
83.08611	1.3
85.02910	1.6
85.06488	0.3
86.09639	0.4
91.05472	2.5
93.07052	1.4
95.04962	1.4
95.08627	1.5
97.02811	1.0
97.06470	0.6
97.10129	0.6
98.21507	0.5
99.04442	0.3
105.07025	1.2
107.04905	0.4
107.08610	1.3
109.02795	0.7
109.06438	0.5
109.10156	2.2
111.00758	0.3
111.04367	0.4
111.08023	0.4
113.02321	0.3
115.05367	0.3
117.06938	0.5
118.28519	0.3
119.08511	1.0
121.06425	0.3
121.10043	1.0
122.09592	0.3
123.04370	0.4
123.08021	0.4
123.11653	0.4
125.09572	0.3
127.03835	0.9
129.05457	0.3
129.06937	0.5
131.03372	0.3
131.04880	0.4
131.08504	0.6
133.10072	0.8
135.11639	0.6
136.91002	0.3
137.05989	0.3
139.03818	1.0
141.06918	0.6
143.08505	0.4
145.10013	0.8
147.04309	0.5
147.07954	0.5
147.11592	0.9
149.09541	0.5
151.12450	0.2
153.01825	26.9
153.06845	0.3
154.02144	0.4
155.08624	0.3
157.06418	0.7
157.10083	0.4
159.04381	0.4
160.58163	0.2
161.05943	0.4
163.03793	0.4
163.11107	0.8
165.01820	0.4
165.05487	0.2
165.06920	0.6
165.09009	0.7
169.06425	0.7
171.02849	0.8
171.04306	0.9
171.08035	0.3
172.05124	0.4
173.04460	0.5
173.05930	0.8
173.09521	0.3
173.11687	0.2
175.03891	0.3
175.10992	0.4
181.06422	0.6
183.04292	0.3
183.08006	0.3
184.05273	0.2
185.05998	2.4
187.03929	1.3
187.07451	0.5
189.05309	0.3
191.10530	0.5
193.12114	1.1
195.08044	0.5
197.05972	3.1
198.06660	0.7
199.03818	0.5
199.07526	0.6
201.08992	0.3
205.12282	0.3
209.11598	0.7
211.07613	1.2
211.13220	1.6
213.05368	0.5
215.03197	0.3
221.05762	0.4
223.07501	0.6
225.05368	0.5
227.12770	0.9
229.04851	0.5
229.14259	0.5
233.05954	0.4
237.05360	1.0
237.08894	0.3
239.03249	0.3
239.06927	0.7
240.04353	0.3
241.04988	0.4
247.07520	0.4
251.07047	0.5
253.04962	1.2
255.06602	0.3
257.04428	0.5
258.05261	1.6
265.04947	3.1
266.05685	0.7
267.06519	2.2
267.15863	1.0
269.04449	0.5
271.05804	0.4
275.06995	1.3
277.83575	0.3
279.06464	1.2
281.04456	2.3
281.15204	0.4
282.05209	1.4
283.05981	0.7
283.15472	0.6
285.16971	0.4
286.04681	3.0
287.05447	0.5
291.06595	0.3
293.04303	0.9
293.07974	0.8
293.61884	0.3
294.05240	1.4
295.05975	7.0
296.06448	0.4
297.04010	3.1
298.04648	1.4
299.05478	1.3
303.06491	8.3
304.07095	0.5
305.07916	0.3
306.05209	0.4
307.06067	1.9
309.03836	0.6
309.07492	1.0
310.04785	0.4
311.05502	8.2
313.03326	0.4
317.08142	0.5
319.05865	0.6
321.03836	2.4
321.07547	3.0
322.04767	1.4
322.08090	0.4
323.05493	25.1
324.06161	4.2
325.06979	1.5
326.04117	0.3
327.04990	1.4
331.05994	12.1
331.09967	0.6
332.06717	1.2
333.07486	0.3
334.04678	1.1
335.05441	2.8
337.07025	4.5
338.07489	0.3
345.07571	0.3
348.06113	0.6
349.07037	11.5
350.07797	12.8
351.08542	1.7
359.09195	0.3
361.06900	0.4
363.08615	2.6
375.08701	0.4
377.10135	0.6
433.16452	32.2
434.16833	2.3
435.14532	0.4
439.26944	0.9
443.14682	1.0
449.33246	0.3
451.17661	2.1
461.15939	100.0
462.16257	5.9
479.16998	84.9
479.31125	0.4
480.17386	4.4
493.14981	0.3
493.27759	0.4
497.18054	43.3
498.18277	2.7
637.19000	1.4
655.20215	11.0
655.31726	0.6
656.20868	0.6
673.21234	10.2
673.33105	1.1
674.21094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64440	0.7
53.03950	0.7
55.01846	1.4
55.05511	7.1
55.53747	0.8
57.03432	4.8
57.07075	40.0
60.29077	0.8
61.02639	1.4
61.02927	15.3
67.05172	1.3
67.05505	16.6
67.82330	1.0
68.05813	1.0
69.03419	3.2
69.07068	8.7
71.04993	1.4
71.08633	33.7
73.02917	5.7
75.04465	2.1
79.05499	6.8
79.92418	0.7
80.05839	1.2
81.03422	4.7
81.07055	23.9
82.07403	1.2
83.04985	1.5
83.08623	13.6
85.02426	1.6
85.02907	21.0
85.06517	1.4
85.10182	21.0
89.06010	1.3
91.03954	17.5
91.05482	4.4
92.82748	0.9
93.07056	5.8
95.04971	4.8
95.08604	29.9
96.05376	1.3
96.08900	0.8
97.02898	10.2
97.06508	0.9
97.10173	7.1
99.04451	1.3
99.11732	1.2
103.05360	0.9
103.07571	1.0
105.07011	3.8
107.04987	1.2
107.08583	3.2
109.02906	2.1
109.06500	1.9
109.10152	16.5
111.04435	0.9
111.11734	1.7
115.03931	1.3
117.07002	1.6
119.08563	2.7
121.06520	1.0
121.10106	1.5
123.11699	6.6
125.09678	1.4
125.13309	1.3
127.03885	6.5
129.06998	1.1
131.04881	0.9
131.08572	1.9
133.10138	1.0
135.11697	1.2
137.13231	2.0
145.04951	9.3
145.10107	1.7
149.09592	0.8
150.49315	0.8
150.70825	0.9
161.13280	0.8
163.06007	14.7
171.11725	0.9
177.70319	0.9
221.22673	1.5
239.23680	22.1
257.24722	4.3
298.27472	2.4
313.27359	100.0
314.27676	3.4
331.28418	53.6
332.28729	2.4
336.26080	1.2
344.14185	0.9
604.59064	0.9
636.39435	3.1
654.40643	2.0
672.41870	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	672.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33099	0.5
52.38593	0.4
55.05513	4.9
57.03200	0.5
57.03440	3.9
57.07074	31.3
57.24656	0.5
61.02925	12.0
62.53909	0.5
66.44730	0.5
67.05172	0.9
67.05503	10.6
68.05836	0.5
69.03438	2.3
69.07060	8.7
70.03072	2.6
71.04990	0.7
71.08630	27.4
73.02913	4.5
75.04471	1.7
79.05505	2.3
81.03405	0.9
81.07056	15.7
83.08615	10.9
85.02902	13.0
85.06544	1.2
85.10178	15.8
89.06007	1.1
91.03955	12.0
91.05470	1.8
93.07031	2.4
95.08601	22.0
96.08959	0.5
97.02890	7.1
97.06490	0.9
97.10162	5.3
98.20875	0.6
99.04448	0.5
99.08132	0.8
99.11746	1.1
103.07597	0.6
104.70482	0.5
105.07011	1.7
107.04966	0.8
107.08562	1.0
109.02828	0.5
109.06548	0.7
109.10149	10.2
111.11714	1.5
117.06985	0.6
119.08574	1.0
123.11700	4.5
125.09599	0.7
127.03922	5.9
131.08560	0.9
133.10175	0.9
135.08101	0.5
135.11703	0.8
137.13237	2.4
145.04965	5.8
147.08026	0.6
147.11687	0.7
149.13202	0.7
151.14796	0.9
159.11758	0.8
163.06015	9.7
163.11102	0.5
165.16368	0.9
171.11684	0.5
221.22748	1.2
239.23697	20.7
241.49908	0.5
257.24759	3.6
271.06165	0.6
275.20102	0.6
291.19653	0.7
298.27649	1.2
313.27347	100.0
314.27704	3.2
331.28406	37.9
332.28848	1.1
401.28769	0.5
475.32532	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	672.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54847	0.9
53.03945	1.7
53.38424	1.0
55.01865	3.5
55.05510	9.9
57.03435	7.2
57.07071	1.0
57.26585	1.0
59.04974	1.2
65.03933	1.1
67.05501	17.4
69.03415	1.6
69.07067	7.1
70.74008	0.9
71.04984	4.5
71.59413	1.1
71.59820	1.1
78.61946	1.0
79.05065	1.4
79.05495	24.7
81.03420	11.3
81.07056	23.1
81.34716	1.0
83.01329	4.4
83.04987	15.6
83.08621	7.1
85.02879	2.7
85.06540	1.7
86.52077	0.9
91.05484	28.8
93.07044	21.7
93.48537	1.0
93.75616	1.0
95.04959	9.8
95.08624	8.7
97.02882	2.2
97.06512	3.9
97.10158	1.4
99.04507	1.2
105.04482	1.2
105.07034	18.6
106.07339	1.4
107.04963	13.5
107.08604	7.9
108.55574	1.0
109.06530	4.9
109.10125	2.2
111.04469	1.1
111.08080	1.8
117.07006	4.4
117.42212	0.9
119.08582	13.5
121.06481	2.1
121.10140	7.3
123.08032	4.2
123.92088	1.0
128.06218	1.4
129.07005	6.8
129.57983	1.0
131.08560	8.8
133.06480	1.8
133.10138	14.4
135.11694	5.2
137.09627	1.5
142.07738	1.7
145.10107	8.8
147.04404	1.5
147.08055	2.5
147.11694	9.4
149.09637	2.3
157.10146	8.5
163.03856	2.0
163.11177	14.0
166.73288	0.9
173.09514	1.1
175.11195	5.4
181.12306	1.3
191.10666	1.8
193.12268	7.5
199.70016	1.0
201.03395	0.9
209.11671	2.2
211.13222	1.6
227.12782	1.9
267.15915	43.1
268.16290	0.9
283.15427	24.9
302.89880	0.9
355.15012	1.1
457.25986	8.1
475.26935	100.0
476.26868	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	671.3629
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.2
55.01871	10.7
55.05513	33.2
57.03439	12.5
59.04987	5.2
65.03934	2.9
67.05502	52.4
69.03422	17.6
69.07072	13.8
71.01354	2.4
71.04996	11.6
71.61206	3.1
73.02909	3.8
74.02090	1.7
77.63947	1.8
79.05063	2.7
79.05493	49.0
81.03415	61.2
81.06593	2.8
81.07053	45.1
83.01358	2.6
83.04987	20.3
83.08204	2.4
83.08626	22.3
85.02901	10.2
85.06522	4.7
86.09705	2.4
89.52498	1.7
91.05481	37.5
93.07039	37.1
95.04971	31.2
95.08607	24.0
97.02895	11.9
97.06541	12.8
97.10160	31.5
99.04444	7.4
102.45403	1.6
105.07036	26.6
107.04953	24.8
107.08591	33.0
109.02882	8.2
109.06529	15.0
109.10156	20.6
111.04430	10.7
111.08075	7.5
111.94659	1.7
113.06015	2.1
115.05466	3.8
117.07053	12.3
119.08566	23.0
121.06496	13.9
121.10125	20.1
123.04424	3.6
123.08100	10.9
123.11713	2.6
125.06003	2.3
125.09630	21.8
127.03889	7.3
128.06265	3.3
129.05481	2.7
129.06982	11.0
131.04900	4.2
131.08565	22.8
133.06450	7.6
133.10110	15.2
135.08032	9.3
135.11639	10.7
137.09612	3.8
141.06999	3.0
142.07805	2.0
143.08525	5.6
145.06494	10.2
145.10092	19.5
147.04440	2.4
147.08028	8.5
147.11676	8.4
149.09630	9.3
151.11177	3.6
153.09117	5.9
153.12746	7.1
155.08499	5.3
157.06483	2.2
157.10138	9.3
159.08095	4.3
159.11668	4.1
161.06021	2.5
161.09589	4.4
163.11169	16.6
165.09109	3.6
165.12712	2.6
167.10646	2.0
171.08118	2.5
171.11623	2.6
173.04446	3.9
173.09627	6.1
173.11734	3.3
173.13217	2.5
175.11179	7.2
181.10175	2.7
181.12160	2.6
185.09607	3.7
189.09573	1.9
189.11237	10.2
189.12683	4.2
191.10677	6.2
193.12241	18.0
199.11188	2.7
205.12044	3.0
209.11713	5.5
211.13187	10.2
215.14334	4.0
217.12437	2.4
219.13770	6.6
225.14760	2.5
227.12704	16.5
229.14337	5.8
231.13826	2.7
233.15414	8.0
237.12701	2.5
241.14227	2.3
245.15463	2.2
255.13795	4.7
265.14319	6.1
267.09116	3.1
267.15930	20.7
273.14856	7.7
275.16440	3.5
283.15302	15.0
285.16867	3.5
299.14865	4.4
301.16559	4.1
320.21967	1.9
323.05252	2.3
339.23267	4.2
349.21454	5.2
357.24368	3.4
367.22678	23.9
385.23691	31.6
386.24039	2.8
403.24847	12.4
427.19696	2.0
437.25183	4.5
441.26410	8.5
459.27380	99.6
460.27539	4.9
477.28482	100.0
478.28781	5.7
478.62851	2.1
491.30377	17.1
501.28046	2.6
509.31735	9.7
621.33099	3.2
635.30927	3.2
653.31421	5.6
671.33484	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	668.3852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.3
55.01875	2.3
55.05516	8.2
57.03442	12.7
57.07082	1.0
57.41779	0.8
59.05008	3.8
61.02917	2.2
65.03946	0.8
67.05505	66.2
68.05828	1.4
69.03427	2.7
69.07065	4.1
71.01331	1.3
71.05009	4.3
71.61158	1.4
77.03940	0.8
79.05496	9.9
81.03420	57.8
81.07055	16.7
82.03743	1.2
83.04974	3.7
83.08624	14.0
85.02894	4.5
85.06526	1.4
91.05477	14.4
93.06136	0.8
93.07056	8.9
95.04970	16.5
95.08601	6.2
97.02859	4.7
97.06540	2.1
97.10172	2.4
105.07033	10.0
107.04952	4.6
107.08569	4.6
107.10346	0.8
109.02869	1.7
109.06505	2.4
109.10159	67.3
110.10467	1.0
111.04437	3.0
111.08081	9.2
115.05434	1.0
116.98592	1.1
117.07075	1.3
119.08582	15.2
121.06524	3.2
121.10147	3.6
123.04402	0.9
123.08082	1.8
123.11734	1.3
125.09618	2.3
127.03977	1.1
129.06985	5.3
131.08566	5.5
133.06517	2.5
133.10146	4.8
135.08084	0.9
135.09790	0.8
136.69887	0.8
137.06009	1.0
137.09624	5.0
142.07761	1.6
145.10172	1.3
147.04329	1.0
147.08089	2.0
147.11693	7.6
149.09627	3.6
155.10680	3.3
157.10167	6.7
158.75571	0.9
163.11200	2.7
165.12816	1.0
173.09529	1.1
173.11745	23.7
175.11215	6.8
185.13260	1.3
191.10660	0.9
193.12253	18.2
203.10605	1.2
211.13298	2.7
227.12711	1.0
229.14355	89.1
230.14742	1.9
249.14798	1.5
267.15924	81.4
268.16290	2.0
273.14984	0.9
283.15469	1.0
285.10187	1.1
287.05576	1.2
301.14417	1.2
329.21106	3.6
403.24786	8.9
421.25864	100.0
422.26144	3.7
446.74994	1.0
458.13425	1.5
463.26901	2.6
529.27838	0.9
563.19635	1.3
668.32672	2.9
669.34528	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	667.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07236	0.9
53.03942	6.0
53.22137	1.1
55.01868	2.7
55.05508	12.5
57.03433	7.2
57.07073	36.0
64.28136	1.1
65.03934	1.1
67.05500	26.2
69.03430	14.9
69.07066	11.9
71.01344	1.1
71.04985	5.3
71.08629	26.2
71.09005	2.1
73.02923	1.3
75.04490	1.0
79.05495	15.1
81.03414	73.3
81.07056	30.9
83.04987	10.2
83.08619	17.0
85.02898	10.0
85.06538	2.8
85.10181	12.1
88.93072	1.0
91.05471	19.9
92.33242	0.9
93.07033	15.8
95.04964	17.0
95.08601	27.6
95.09161	1.9
97.02888	19.3
97.06527	3.2
97.10181	6.5
99.04462	4.5
105.07018	13.7
105.07666	1.4
107.04953	5.7
107.08611	6.5
109.02869	13.0
109.03510	1.4
109.06525	3.2
109.10153	11.2
111.04445	6.9
111.08083	4.0
115.05449	2.4
117.07027	2.4
119.08571	13.9
121.06530	2.5
121.10138	5.6
123.04460	3.4
123.08081	3.2
123.11696	6.7
123.25964	1.1
125.09644	2.0
127.03906	11.7
128.06221	1.5
129.05473	1.4
129.07001	9.2
131.05075	1.1
131.08536	6.2
133.06509	1.4
133.10123	6.8
135.08105	1.1
135.11713	1.4
137.13278	2.0
139.58269	1.1
142.07858	1.5
143.08604	2.5
145.06520	2.1
145.10132	3.5
147.08058	2.5
147.11670	11.5
149.05971	1.7
149.09645	3.2
153.12801	1.7
157.06453	1.3
157.10121	7.5
159.08151	1.0
159.11691	1.1
163.11206	4.1
165.12718	6.3
171.08057	1.1
171.11678	2.5
173.04478	1.9
173.09677	1.9
175.11145	7.9
181.12257	2.8
183.13780	1.1
185.13362	1.3
189.12831	1.8
191.10674	1.8
193.12251	22.8
199.11186	1.4
203.14418	1.3
207.13882	1.1
211.13283	29.7
227.12819	3.9
229.14346	1.7
235.13271	3.3
237.25731	1.1
239.23689	5.8
249.14864	1.6
255.13863	1.9
259.13351	1.2
267.15897	12.5
273.14954	3.8
285.16968	1.7
291.15900	1.4
301.14511	2.0
313.27350	30.7
319.15427	1.4
337.16470	5.9
341.27213	2.0
347.18628	1.6
355.17337	7.1
383.27856	1.7
391.46335	1.4
393.19031	2.1
411.20026	13.3
505.38910	6.5
523.39978	13.0
585.41400	1.6
613.41083	1.1
631.41455	1.7
649.43311	3.9
667.44135	100.0
668.43945	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	667.4414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	8.3
55.01893	1.9
55.05511	16.5
57.03431	7.2
57.07074	36.7
67.05501	27.1
67.39546	1.7
69.03428	14.9
69.07080	10.4
71.04996	4.3
71.08627	24.4
74.74165	1.6
79.05502	14.5
81.03416	64.4
81.07057	32.2
83.04993	13.0
83.08617	19.4
85.02884	10.5
85.10181	14.3
88.51829	1.6
91.05472	16.7
93.07047	9.4
95.04983	12.0
95.08601	22.5
97.02883	17.6
97.06550	3.0
97.10171	6.5
99.04460	3.8
105.07050	12.4
107.04955	6.5
107.08604	7.8
107.81237	2.2
109.02871	12.9
109.03490	1.6
109.06543	2.2
109.10162	13.2
111.04469	7.9
111.08103	5.0
113.06049	2.4
117.07041	3.9
119.08607	10.3
119.58982	1.7
121.06535	3.2
121.10172	6.6
123.04458	3.3
123.11725	7.8
127.03923	9.5
129.07027	6.6
131.08577	5.2
133.06467	3.8
133.10158	4.5
135.11731	4.2
137.13295	2.2
143.08588	2.6
145.10118	2.3
147.07971	2.3
147.11687	12.0
149.09682	2.9
157.10167	7.6
159.11693	1.9
163.11278	2.3
165.12759	4.2
173.04448	3.5
175.11253	8.0
181.12234	2.4
191.10675	3.5
193.12256	21.9
211.13306	40.9
227.12840	2.1
229.14423	2.5
239.23773	5.8
267.15930	9.1
281.36987	1.8
285.17044	2.6
313.27383	33.3
337.16473	3.2
355.17490	10.1
393.19037	2.1
411.20261	9.0
505.38950	6.6
523.39972	13.9
547.39563	2.3
649.42169	3.4
667.44153	100.0
668.44342	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	667.3301
Annotation	Strychnogucine B
Peak:m/z	Relative Intensity
53.03951	0.6
55.01863	0.6
55.05511	1.6
57.03438	1.9
61.02922	4.0
67.05505	5.1
67.36617	0.2
69.03423	2.5
69.07085	1.3
69.76426	0.2
71.01354	0.4
71.04992	0.8
73.02909	2.5
79.05486	4.0
81.03416	4.9
81.07054	3.2
83.04987	1.6
83.08614	1.2
85.02898	5.5
85.06561	0.4
87.04490	0.3
91.03963	2.3
91.05460	2.9
93.07036	4.6
95.04965	1.8
95.08607	1.8
97.02890	3.9
97.06534	1.4
97.10181	0.9
99.04469	0.8
101.02361	1.6
103.03963	0.4
105.07018	1.9
107.04961	1.0
107.08593	3.1
109.02843	1.7
109.06533	0.5
109.10166	1.4
111.04436	0.7
111.08086	0.9
114.50313	0.2
117.07052	0.5
119.08572	1.7
121.06545	0.5
121.10129	1.2
123.04423	0.2
123.08058	0.5
125.09640	0.5
127.03901	1.5
129.05534	0.3
129.06998	0.6
131.08575	0.7
133.06526	0.3
133.10146	1.1
135.11684	4.7
137.09615	0.3
145.04967	0.3
145.10167	1.5
147.08012	0.3
147.11703	0.8
153.12762	0.6
157.10176	0.7
163.11185	1.3
165.12793	0.3
175.11191	0.5
181.12267	1.1
185.04187	0.6
191.10614	0.3
193.12276	1.0
203.05196	0.3
209.11694	0.3
211.13254	0.4
221.11542	0.9
223.13258	0.3
227.12784	0.4
229.14355	0.3
241.14449	0.4
243.08438	1.7
251.12549	1.2
255.16016	0.7
260.26358	0.3
277.14178	0.7
285.10156	0.4
307.15353	0.6
439.19415	11.3
440.19635	0.6
469.20517	5.2
482.15994	0.3
505.28122	0.7
523.31635	0.3
545.62573	0.3
609.28906	0.4
635.30676	0.3
649.32141	0.3
667.32959	100.0
668.33362	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	665.2821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	1.2
58.39198	0.4
59.06979	0.5
65.03918	1.0
67.05511	2.5
69.03423	0.7
69.07072	19.3
70.06577	1.2
70.07357	0.5
70.21448	2.3
79.05453	1.8
81.07029	1.5
83.04949	0.8
84.08097	0.5
85.02874	1.9
85.06498	0.5
86.09674	1.1
91.05461	1.3
93.07018	1.3
94.06523	2.3
95.04926	1.7
95.08561	1.2
97.02869	0.8
97.06501	2.0
100.11206	0.9
103.05413	0.6
103.60716	0.5
105.07004	0.6
107.04910	1.8
107.08571	1.1
108.04462	0.7
108.08099	1.6
109.06485	1.5
110.05997	2.1
111.04414	0.7
112.07607	0.8
115.05440	1.1
117.07017	2.0
118.06553	0.7
119.08575	0.7
120.08098	1.0
121.05212	1.0
121.10144	1.2
122.06047	6.3
123.04401	1.8
123.11723	0.6
124.07588	10.0
127.03896	0.6
131.08597	0.6
132.08087	0.6
133.10121	0.5
134.05980	1.5
135.04379	1.2
136.07520	1.0
137.05959	0.6
138.05458	1.7
138.09109	1.1
140.07076	33.1
141.07336	0.8
143.08597	0.5
144.04433	0.6
145.06485	3.2
145.07471	0.6
145.08867	0.6
145.10106	1.0
146.06018	9.0
146.08273	0.5
148.07607	2.8
149.07124	1.2
150.05484	1.1
152.04561	0.5
152.07043	1.7
154.04965	2.3
155.06056	0.6
158.06003	0.9
158.09637	0.7
159.11649	0.8
160.03967	0.6
160.07645	2.5
162.05440	1.7
162.09122	0.9
163.76549	0.5
164.07115	0.9
167.07051	30.5
170.09662	1.0
171.06638	0.6
172.03941	6.3
172.07463	0.6
172.11183	0.8
173.04761	0.7
173.05995	4.3
174.05511	7.6
174.09116	1.0
175.08665	1.0
176.07043	3.2
178.08684	0.7
181.04958	7.9
185.10727	1.2
186.09149	4.5
187.08624	1.3
187.12274	1.0
188.07054	1.3
188.10890	0.8
189.10234	0.7
190.04965	2.7
190.08649	0.7
191.05791	0.9
192.06638	1.3
192.10127	0.7
196.07578	1.2
197.10664	1.5
198.07632	0.7
198.09183	1.9
199.08617	1.6
200.10709	1.7
201.10205	1.3
202.11012	2.3
203.11821	5.3
204.06569	9.2
205.08611	1.2
206.08141	5.0
208.09662	1.7
210.09181	0.7
210.14891	1.3
211.08640	1.2
211.12366	0.6
212.07310	0.5
212.09280	1.5
213.10222	5.9
214.08662	7.7
214.10722	1.2
215.08165	4.3
215.11766	2.4
216.10213	2.1
217.09804	1.2
218.08202	2.9
223.08684	0.7
224.09224	0.9
225.10202	2.1
226.08690	1.5
226.10867	1.2
227.08165	1.1
227.11678	1.0
228.10254	3.3
229.07368	0.5
229.09758	2.3
229.13362	0.6
231.11330	4.8
233.08026	1.8
236.09393	0.6
238.10922	1.3
239.11748	2.2
240.10393	1.3
241.09737	5.8
241.13344	0.8
242.08026	1.4
242.11827	1.0
243.11282	12.5
244.09633	0.9
245.12923	1.1
247.10632	1.0
249.10245	0.9
250.10846	2.6
251.08211	0.8
251.11841	1.2
253.09691	0.7
254.10402	0.8
255.11314	4.1
256.09637	2.3
256.12082	1.6
257.09222	1.6
257.12823	1.5
258.09961	0.6
259.10797	55.1
260.11087	2.0
261.12317	4.0
263.07895	0.7
264.08844	0.8
265.09677	2.2
265.13165	0.5
267.11197	1.7
268.09744	2.6
269.09235	4.2
269.12808	1.9
270.11209	0.6
271.10739	1.5
272.11652	0.7
273.12354	4.5
279.11121	0.7
280.11508	0.7
281.09143	0.6
283.10797	8.8
284.11383	1.7
285.12360	19.7
286.13110	0.8
287.10284	10.8
287.13861	3.1
289.11938	1.4
293.09042	0.8
293.13043	0.6
295.10727	1.8
296.08957	0.9
297.12311	2.0
299.10220	1.3
299.13803	1.0
300.12415	2.8
301.11844	44.8
302.12045	1.4
303.13409	21.4
304.14188	1.1
305.15027	0.8
311.10263	1.3
311.13663	0.5
313.11813	20.0
314.12466	1.1
315.13504	2.2
317.15161	0.6
318.15952	1.1
319.12903	71.2
320.13181	2.1
323.10248	1.0
324.10596	0.6
325.11850	1.5
327.13742	0.7
328.14551	0.8
329.11511	1.3
329.15057	1.9
330.11975	0.8
330.15839	0.9
331.12955	7.1
331.16495	1.1
332.13428	0.8
333.14926	0.8
337.13977	21.7
341.15112	1.2
343.13040	1.0
344.13806	1.9
345.14459	8.5
346.15335	1.5
347.16089	1.6
348.17096	1.2
353.11310	1.6
355.12985	2.2
357.14600	0.9
358.11505	0.8
358.15582	1.2
360.16983	0.7
362.14899	0.6
369.14401	0.9
370.11447	0.7
370.15512	0.8
371.12598	0.8
372.13324	1.7
373.13950	1.5
373.18121	0.9
374.14966	2.0
385.14041	1.8
386.14578	2.7
387.15216	2.8
388.16342	1.9
392.16232	0.6
399.14471	0.8
400.16476	0.9
402.14075	1.0
404.16122	2.5
405.16235	0.7
406.17725	2.8
407.18463	1.2
408.19281	1.1
414.14478	2.3
415.15253	3.3
416.15961	6.4
417.15512	19.7
418.16006	1.7
422.17319	1.1
428.15820	1.0
429.16623	0.6
430.17569	1.6
431.19022	1.0
433.16791	2.7
434.16980	4.5
435.17218	0.8
442.19440	1.5
446.17456	1.6
447.17899	1.3
448.18399	1.9
456.15344	1.9
457.16507	1.1
458.17093	1.2
464.18124	1.2
474.16599	5.3
475.16983	3.3
476.17975	7.4
478.18988	0.6
492.17722	1.6
494.18936	0.6
499.22751	0.9
505.18283	1.1
506.18692	2.8
507.19287	3.2
508.20322	3.1
524.20355	2.3
542.21259	1.2
545.23792	0.9
555.22540	1.5
571.25464	3.2
573.23523	5.9
574.23792	0.8
579.22180	0.7
586.22882	0.7
587.24548	1.5
597.23553	6.6
615.24487	100.0
616.24872	5.8
629.25861	2.7
633.25665	2.0
647.27008	11.4
665.20190	1.3
665.49438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2819
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	0.5
67.05470	1.3
68.05032	0.6
69.07059	2.8
71.60815	0.6
79.05473	1.0
81.07026	1.4
84.08149	4.4
85.02889	1.0
86.09684	0.7
91.05461	0.7
93.07040	0.5
94.06553	0.9
95.04935	1.1
95.08585	0.5
96.08103	1.4
97.06503	1.3
105.07023	0.7
106.06513	0.5
107.08565	0.9
108.04461	1.1
108.08112	0.6
109.06503	0.7
110.06005	1.7
116.04922	0.8
117.07076	0.5
118.06562	0.5
119.08533	0.8
120.08058	0.7
121.10205	0.8
122.06047	4.2
124.07600	22.9
130.08650	0.4
131.08501	0.6
133.10158	0.7
134.06015	0.5
136.07581	0.7
138.05511	0.5
140.07076	5.3
144.04427	1.5
145.10130	0.8
146.06013	6.8
148.07607	0.7
150.05499	2.1
151.26270	0.5
152.07062	2.7
158.09610	0.8
159.35043	0.5
160.07574	1.6
162.05476	1.6
164.07059	1.0
167.06966	1.4
170.09660	1.0
172.03955	10.4
173.04681	0.8
173.10860	0.6
174.05534	4.5
175.08635	1.0
175.12335	1.4
176.07042	1.1
181.04997	0.6
184.07605	1.0
184.11166	0.5
186.09172	4.7
187.08669	1.5
190.04996	0.5
191.05768	2.8
192.06584	0.8
196.07635	0.8
198.07629	0.8
198.09262	0.9
199.08565	0.6
200.06982	0.9
200.10718	1.4
201.10175	1.1
201.16368	1.3
202.10976	1.9
202.16699	1.2
203.11792	6.0
204.06573	16.9
206.08127	7.0
208.09581	0.8
210.08945	0.5
212.07071	1.1
212.09145	0.6
213.10263	3.1
214.08665	10.3
215.08163	4.8
215.11896	0.5
216.08754	0.6
217.09773	1.0
225.08002	0.5
225.10191	0.8
227.08112	1.0
227.11780	1.5
228.10275	4.0
229.07756	0.4
229.09744	2.9
230.10345	1.1
231.11330	6.8
237.10281	0.7
239.11720	0.7
240.08980	0.7
241.09712	3.5
242.08224	2.3
243.11238	2.4
245.09195	1.7
245.12932	1.3
247.10820	1.5
255.11234	6.8
256.09698	2.7
257.09262	1.2
257.12836	1.8
259.10791	76.3
260.11188	1.7
265.09561	0.7
267.11194	0.5
269.09277	0.6
269.12820	1.8
271.10822	1.9
271.13800	0.5
273.12341	6.5
283.10846	5.0
285.12332	1.8
287.10275	1.6
289.11691	0.5
297.12317	4.4
299.10269	0.8
300.12375	1.1
301.11847	68.0
302.12128	1.9
303.13339	3.8
306.29187	0.5
313.11746	2.3
315.13437	4.4
317.11221	0.8
319.12900	100.0
320.13156	2.7
329.11310	0.6
329.14999	6.8
331.12897	1.2
335.12341	0.9
337.13986	26.3
338.14426	0.7
345.14456	3.6
358.11353	0.5
386.15176	0.8
387.15561	0.6
404.16037	0.5
406.17999	0.6
414.14862	0.5
415.15094	0.6
416.15961	1.4
417.15457	1.2
417.33282	1.4
434.16690	0.7
446.17139	0.6
474.16910	1.5
505.18570	1.0
506.19217	1.2
524.20380	1.7
571.26538	0.6
573.23932	0.7
597.23346	1.2
615.24548	11.1
616.24292	0.8
629.25677	1.3
633.25970	0.8
647.27161	6.9
665.24646	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.1
65.03943	0.8
67.05508	1.8
69.03450	0.9
69.07066	20.3
70.06568	1.3
71.00038	0.8
79.05488	2.0
81.07042	2.2
82.06577	0.9
83.04947	0.9
83.28641	0.6
84.08141	0.6
85.02903	1.4
86.09722	1.2
88.15006	0.6
91.03941	0.5
91.05506	0.9
93.07035	1.5
93.08321	0.5
94.06573	2.1
95.04980	2.1
95.08609	1.1
96.08141	1.3
97.02901	0.5
97.06501	1.2
98.09708	0.7
100.07640	0.9
105.07021	0.9
107.04961	1.6
107.08621	0.6
108.04482	0.7
108.08144	1.9
109.06500	1.1
109.10181	1.4
110.06056	1.9
112.07568	1.2
117.06998	0.9
118.06567	1.0
120.04453	0.8
121.05222	0.6
121.10146	0.8
122.06035	7.1
122.09650	0.8
123.04462	1.0
123.11679	0.5
124.07587	12.2
132.08176	0.8
133.10123	0.6
134.06030	1.2
135.04486	1.0
136.07600	1.2
137.60678	0.6
138.05493	1.6
140.07060	32.1
144.04469	0.9
144.08154	1.0
145.06525	2.0
146.06029	7.7
146.07092	0.8
148.07581	1.7
150.05496	1.8
152.07082	1.8
154.05023	2.7
158.06013	1.0
158.09636	1.0
159.09230	0.6
160.07591	2.7
162.05542	2.0
164.07065	0.8
167.07034	21.2
170.09700	1.0
172.03931	6.4
172.07587	0.8
173.05962	2.7
174.05515	8.3
174.09166	1.0
176.07043	2.8
181.04973	5.0
182.15340	0.9
185.10808	0.9
186.09122	3.2
187.08748	0.9
190.04956	2.9
192.06697	1.0
192.10159	0.7
196.07561	1.3
197.07095	0.9
197.08719	0.7
197.10730	1.5
198.07678	1.0
198.09253	2.0
198.11472	0.6
199.08734	1.8
200.10709	1.6
201.10318	1.4
202.08842	0.8
202.11005	1.7
203.11810	4.3
204.06563	8.9
206.08113	4.9
208.09679	1.1
210.09315	0.6
210.14909	0.8
211.08539	0.9
212.09273	1.2
213.10182	5.6
214.08682	7.5
215.08192	3.7
215.11839	2.1
216.10228	2.2
218.08197	1.9
222.09047	0.7
225.10262	2.5
226.08678	1.8
226.10919	1.0
227.08139	1.2
227.11754	1.4
228.10320	2.9
229.07800	0.7
229.09834	2.4
229.13274	0.7
230.10458	1.2
231.11252	6.3
233.08078	1.2
236.09259	0.7
237.10274	1.9
238.11035	1.0
239.11938	1.4
240.10226	1.7
241.09590	5.7
242.08167	1.4
242.11810	1.0
243.11284	11.2
244.09669	1.0
245.09097	0.9
245.12941	1.4
247.10799	1.2
249.10376	0.8
250.10764	2.8
251.11771	1.1
253.09792	0.8
255.11290	5.8
256.09756	1.4
256.12106	1.5
257.09290	1.3
257.12894	2.2
258.10321	0.8
259.10776	57.0
260.11227	1.7
261.12512	3.4
264.08832	0.7
265.09729	2.2
266.10345	0.9
267.11285	1.5
268.09668	2.0
269.09299	4.2
269.12790	1.8
271.10907	1.8
273.12329	6.7
277.09686	1.0
279.11319	0.7
281.09232	0.6
283.10770	7.4
284.11407	1.5
285.12326	20.0
287.10352	9.6
287.13983	1.8
289.11966	1.5
295.10843	1.7
297.12369	3.2
299.10410	1.6
299.13928	1.0
300.12326	2.8
301.11832	46.3
302.12274	2.3
303.13391	20.5
303.16867	1.3
304.13910	1.0
311.10498	1.1
313.11841	20.8
315.13550	1.9
317.11707	0.8
318.12326	1.1
318.16006	0.9
319.12888	66.8
320.13327	1.9
323.10419	1.1
324.10965	1.6
325.11777	0.8
327.13525	0.8
328.14413	0.7
329.11386	1.4
329.15115	1.5
330.12289	0.9
331.12906	7.1
332.13965	1.6
333.14536	0.8
335.12573	1.4
337.13998	22.0
341.15173	0.9
343.13104	1.3
344.14053	1.7
345.14523	8.1
346.15576	1.8
347.16376	0.7
348.17026	1.0
353.11615	1.7
355.12909	1.4
356.13715	0.9
357.14877	1.3
358.11371	0.8
358.15454	1.0
359.16528	1.2
360.17038	1.0
372.13403	1.9
373.14337	1.7
374.14880	1.5
378.18222	1.2
385.14157	2.1
386.15042	2.1
387.15259	2.5
388.16605	1.8
392.15619	0.9
399.14832	1.0
400.16895	0.9
401.13348	0.8
404.16003	1.9
405.16595	1.3
406.17679	2.6
407.18237	1.1
414.14572	2.1
415.15277	4.2
416.16019	6.6
417.15439	13.3
418.16470	0.9
422.17160	0.9
428.15866	1.0
429.17014	0.8
430.17706	1.4
431.18408	1.0
432.15311	1.1
433.16467	2.3
434.16998	4.2
435.17221	0.9
446.17267	2.0
447.17566	1.7
448.18576	1.2
456.15216	1.6
457.16489	1.5
458.17078	1.7
474.16412	4.7
475.16882	3.5
476.17889	8.0
492.17725	1.7
494.18600	1.0
505.17908	1.1
506.18491	2.8
507.18976	4.0
508.20667	3.2
510.34274	0.7
523.19971	1.1
524.20251	2.5
528.21857	0.9
542.21588	1.3
547.25629	1.0
553.24292	0.8
555.22748	1.7
571.25500	1.8
573.23425	6.8
574.23993	1.0
587.24725	1.8
597.23242	5.4
615.24451	100.0
616.24976	5.3
629.25702	2.5
633.24683	0.7
647.26807	11.1
665.19275	1.1
665.49298	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	665.2074
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60586	0.2
53.03932	0.8
55.01865	0.5
56.96566	0.2
57.03426	0.7
61.02924	0.4
65.03930	0.9
67.05493	0.8
68.99790	0.2
69.03432	3.8
69.07041	0.2
70.06590	0.4
70.73485	0.7
71.00478	0.2
71.04990	0.6
72.08148	0.2
73.02914	0.6
78.04718	1.2
79.05476	1.3
81.03417	2.9
81.07039	0.6
82.04195	0.6
83.04999	0.3
84.04484	0.3
84.08138	0.2
85.02906	4.5
86.09688	1.0
87.00835	0.7
91.05464	1.1
93.03400	0.3
95.04966	1.1
97.02897	2.6
97.06519	0.4
99.04436	0.9
99.63043	0.2
103.03941	0.2
103.05457	1.2
104.08855	0.2
105.01838	0.3
105.07018	0.6
106.04164	1.0
107.04958	2.2
109.02872	1.2
111.04460	0.5
115.05449	2.8
117.06222	0.4
117.07022	5.5
119.08609	0.3
120.08106	1.4
122.06046	0.3
123.04428	5.0
124.05214	2.0
125.05984	0.4
127.03924	2.5
127.05391	0.4
133.06421	0.4
133.10135	0.3
134.03616	0.5
136.07524	0.3
137.05968	0.5
138.03169	0.4
142.02600	0.5
143.04988	0.3
144.05678	0.3
145.04842	0.4
145.06488	9.5
145.07634	0.5
147.04419	0.3
147.08025	0.8
148.06065	0.3
151.03938	1.0
152.04692	1.6
153.05415	0.3
155.04927	0.4
155.06012	2.3
155.06946	0.2
161.05940	0.6
164.07037	0.4
165.05516	0.3
167.07040	100.0
168.07423	1.5
171.06479	1.3
173.05991	19.8
174.06374	0.4
175.07516	1.1
176.08157	0.4
181.04959	25.6
182.05328	0.3
183.06430	0.3
187.05977	0.3
187.07524	0.5
191.07050	0.6
195.06607	0.3
197.12889	0.4
201.05461	0.8
203.07057	0.5
205.08595	4.8
207.06577	0.6
207.10103	0.4
217.08600	1.1
219.10034	0.3
225.12390	0.4
231.10167	0.3
233.08086	5.6
234.99037	0.5
235.09637	4.4
237.02773	0.3
245.08173	0.8
247.09607	0.5
263.09235	0.5
275.09027	0.7
277.10730	1.0
287.09125	0.3
295.09729	0.3
305.10349	0.3
337.10831	0.6
339.05267	0.4
339.12454	0.4
347.31070	0.3
349.10681	0.3
367.11826	0.8
369.13336	1.2
377.10062	0.3
381.13318	0.8
383.14944	0.9
387.09360	0.5
387.14395	8.7
395.14685	1.1
399.14395	3.2
411.14569	0.9
416.14761	0.3
417.15439	19.0
418.15918	0.8
423.14545	0.5
441.15585	0.7
459.16635	1.2
573.19110	0.3
579.20874	0.8
621.22095	1.8
633.25378	0.3
665.20636	29.5
666.20972	1.1
679.85077	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	665.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
55.01854	0.9
57.03422	0.6
61.02914	0.6
62.76513	0.2
65.03918	1.0
67.05491	0.5
69.03088	0.3
69.03429	3.8
70.06573	0.6
71.01324	0.3
71.04980	0.4
71.59032	0.4
71.59399	0.3
72.08127	0.4
72.83775	0.2
73.02907	0.5
78.04710	1.5
79.05469	1.0
81.03407	2.7
81.07030	0.4
82.04221	0.4
85.02904	3.8
86.09694	0.8
87.00802	0.8
91.05467	0.8
93.03410	0.3
95.04956	1.3
96.05724	0.3
97.02882	1.7
97.06493	0.4
99.04450	1.1
103.05442	0.9
105.01844	0.3
106.04160	1.0
106.04879	0.2
107.04954	2.2
108.08137	0.2
109.02895	1.7
110.03703	0.5
111.04445	0.5
115.05434	2.5
117.07008	5.5
120.08109	0.6
121.02825	0.3
123.04420	4.4
124.05221	2.3
125.05974	0.6
127.03925	2.4
127.05376	0.6
135.04369	0.4
136.07590	0.3
137.05969	0.7
138.03093	0.3
142.02597	0.3
143.04958	0.5
144.05649	0.4
145.06483	9.8
147.08051	0.6
151.03841	0.5
152.04659	1.4
155.04950	0.3
155.06036	2.4
159.02980	0.3
161.05920	0.3
167.07031	100.0
168.07402	1.8
171.06554	1.5
171.07829	0.2
173.05974	19.3
174.06413	0.5
175.07497	0.7
181.04950	25.0
183.06508	0.4
185.06073	0.2
187.06035	0.4
190.06140	0.5
191.06981	0.5
193.08536	0.2
195.06465	0.5
201.05530	0.9
205.08595	4.7
207.06497	0.6
209.08011	0.3
217.08603	1.0
219.10391	0.2
221.07870	0.3
231.10063	0.4
233.05820	0.4
233.08069	5.3
234.06613	0.2
235.07434	0.4
235.09659	3.5
245.08125	0.7
247.07356	0.3
247.09669	0.6
257.08206	0.4
259.09766	0.3
261.56503	0.3
263.06836	0.3
263.09225	1.1
269.29547	0.3
275.09125	0.7
277.10703	0.6
298.20200	0.5
305.10220	0.4
307.09592	0.5
325.10529	0.2
335.09100	0.2
337.10873	0.5
339.12256	0.4
341.24179	0.3
345.02713	0.6
355.60944	0.2
367.11859	1.2
369.13412	1.1
371.15121	0.3
381.13367	0.7
383.14914	0.7
387.14380	9.3
395.15079	1.3
399.14377	3.8
411.14606	1.2
417.15427	21.3
418.15594	0.8
423.13815	0.5
429.15335	0.6
441.15689	1.1
459.16602	1.5
503.30078	0.5
508.21344	0.3
513.04480	0.3
579.20569	0.6
605.39886	0.3
621.21808	1.5
665.20630	30.9
666.21075	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	662.3737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01870	1.5
55.05511	5.9
57.03436	6.8
57.07073	0.7
59.98874	0.6
61.02921	1.4
61.51960	0.7
67.05505	22.1
67.87852	0.7
69.03430	1.7
69.07077	5.7
71.01351	2.3
71.04985	2.8
71.59322	0.8
71.59746	0.8
73.02892	0.7
79.05495	22.2
81.03419	8.6
81.07057	17.8
83.04984	7.0
83.08621	5.9
85.02912	3.6
85.06533	2.0
87.04459	1.1
91.03948	1.0
91.05484	16.8
93.06471	1.1
93.07049	20.4
95.04969	14.7
95.08595	6.5
97.02866	1.8
97.06530	6.1
97.10178	4.4
99.08092	1.6
104.64634	0.7
105.04512	0.8
105.07034	10.7
107.04966	3.9
107.08598	18.3
108.08860	1.0
109.06523	4.3
109.10168	4.5
111.04453	1.5
111.08076	2.0
113.06008	0.7
113.09741	0.9
115.05403	1.0
117.06985	3.4
119.08578	8.2
121.06496	0.8
121.10144	5.2
123.08057	1.8
123.11706	1.5
125.06001	0.9
125.09614	1.5
127.03825	0.7
129.07021	2.9
131.08574	3.4
133.06538	1.4
133.10127	8.9
135.08066	3.1
135.11685	22.5
136.35576	0.7
137.09552	1.8
142.07793	1.3
143.08644	0.8
145.10133	5.7
147.08012	1.3
147.11711	6.5
149.09608	2.2
151.11206	3.5
153.12662	0.9
157.10118	3.7
163.11191	6.3
165.12781	3.0
175.11200	3.8
179.14377	1.4
181.12224	3.8
193.05067	0.7
193.12198	5.0
199.13409	0.8
211.13255	5.7
237.14769	1.0
253.14465	1.1
255.15907	22.9
256.16147	1.3
267.15945	7.0
285.10223	0.7
285.16956	8.1
373.23611	1.0
447.27393	22.4
465.28485	100.0
466.28796	2.6
602.26184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3746
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50831	2.8
55.01872	5.3
55.05508	14.0
57.03427	19.2
60.79697	3.5
61.02913	5.0
65.76687	3.2
66.34042	2.8
66.48201	2.9
67.05505	50.9
69.03408	6.0
69.07073	17.0
71.01362	4.0
71.04971	6.8
71.60099	5.1
73.02918	3.2
79.05486	35.4
81.03417	44.1
81.07055	34.6
83.04976	20.0
83.08610	20.2
85.02910	15.2
91.05475	28.5
93.07039	43.9
95.04962	22.2
95.08590	16.0
97.02898	4.4
97.06539	12.0
97.10164	7.6
104.04080	2.9
105.07018	16.7
107.04934	7.8
107.08591	30.9
109.06513	8.9
109.10174	6.8
111.08105	11.2
117.06989	7.5
119.08575	17.1
121.06445	7.0
121.10150	15.0
123.08047	5.2
126.44827	3.9
129.06999	5.1
131.08539	7.3
133.06569	3.5
133.10150	10.3
135.08015	3.8
135.11702	32.0
141.82980	3.9
144.13977	3.8
145.10124	12.4
147.11694	11.0
149.09639	6.1
152.99496	4.3
157.10143	14.5
163.11182	13.9
163.95132	3.7
165.12793	3.6
175.11194	11.5
181.12265	8.3
184.07344	4.3
193.12256	29.4
206.08269	4.1
211.13304	47.8
227.12788	3.7
239.16414	5.6
255.15923	81.9
261.12555	3.3
263.70993	3.3
267.15948	33.2
280.21741	3.6
283.15524	5.8
285.16858	24.9
319.86786	3.2
347.09897	4.5
363.13333	4.9
407.79752	3.3
421.25784	5.5
432.17548	4.7
447.27405	87.8
448.27890	7.7
458.15067	4.3
458.47681	3.9
465.28442	100.0
497.17648	5.1
498.18231	5.2
557.19214	5.2
620.23944	4.4
630.22589	15.1
631.22101	7.5
662.25244	29.6
662.35315	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	662.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38591	0.6
53.03946	1.1
54.87951	0.6
55.01856	0.8
55.05494	1.7
56.96574	0.9
57.03433	1.2
57.07068	0.7
61.02915	1.4
62.06067	0.7
63.44122	0.6
67.05514	4.7
67.67535	0.6
69.03430	4.2
69.07051	2.6
70.06586	1.2
71.04973	1.5
71.08633	5.9
71.61185	0.9
72.08156	1.7
73.02916	0.9
78.78046	0.6
79.05485	2.0
81.03419	3.9
81.07050	3.3
83.04963	0.8
83.08597	1.2
84.04510	0.6
84.08148	1.2
85.02908	4.6
86.06064	10.2
87.00806	0.9
87.04485	0.9
91.03950	1.0
91.05483	3.8
93.07035	3.8
95.04942	0.6
95.08611	5.9
96.08115	2.7
97.02891	2.3
97.06536	1.4
98.06059	1.2
98.09673	4.5
99.04459	1.2
99.08084	3.3
105.07009	1.2
107.08600	1.5
108.08101	1.9
109.02869	2.8
109.10169	4.2
111.04369	0.6
116.10732	31.9
119.08589	5.4
122.09666	1.2
124.07557	1.2
127.03911	5.3
129.01820	0.6
135.11623	0.8
137.09631	3.8
138.09190	0.7
140.10689	1.4
142.08636	1.9
142.12292	0.7
143.10669	2.7
145.05006	0.9
147.07993	0.9
147.11658	0.7
154.15857	3.2
155.10588	0.7
166.15913	2.5
168.17450	0.7
173.11781	1.6
178.15880	1.5
184.07368	1.2
196.16949	6.8
201.11258	1.3
213.03835	0.7
214.18021	100.0
215.18330	1.3
254.21191	1.8
280.19025	2.3
285.09964	1.2
287.05457	0.8
298.20181	1.9
303.13370	0.8
316.21176	15.0
358.22278	1.5
374.15665	0.8
376.23260	6.2
383.10696	0.7
396.27194	1.4
402.21155	10.3
414.28479	11.5
418.24152	0.8
456.29575	0.7
458.63318	0.9
462.23303	20.4
500.28510	5.2
564.26617	9.7
618.34747	1.0
662.23804	0.9
662.33740	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	662.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03897	1.2
55.01822	1.1
55.05454	2.7
55.05698	1.2
56.96530	0.9
57.03387	1.4
61.02875	1.5
61.62238	0.6
62.06039	0.9
62.06329	0.5
62.67428	0.5
67.05433	4.4
68.99754	0.9
69.03359	8.8
69.06998	2.9
69.07336	1.0
70.06548	1.3
70.25381	2.6
71.04915	2.2
71.08627	6.5
72.08083	2.8
72.08427	0.6
73.02885	1.2
81.03414	7.3
81.07064	5.0
83.04946	1.1
83.08555	0.8
84.04412	0.9
84.08111	1.4
85.02900	8.4
86.06066	30.8
86.06540	1.4
86.09673	1.2
87.00838	3.1
87.04424	0.7
91.03886	0.6
91.05489	6.6
93.07047	4.3
95.04909	0.9
95.08606	10.9
96.08139	4.4
97.02896	4.5
97.06480	1.5
98.06017	1.5
98.09694	8.7
99.04455	4.5
99.08096	7.6
103.03909	0.7
105.01796	0.8
105.06947	2.0
107.08531	2.0
108.08135	3.3
109.02883	6.7
109.06475	0.8
109.10154	5.0
110.09686	0.8
114.09095	1.4
116.10732	68.0
117.06961	1.0
119.08581	10.6
120.08057	1.3
121.10091	1.4
122.09599	1.9
123.08050	1.4
123.11740	0.7
124.07597	3.7
127.03907	10.8
129.01714	1.2
129.06921	0.9
131.08485	0.9
133.10062	1.1
135.11548	0.9
136.11162	0.8
137.09622	9.4
138.09053	1.3
140.10670	1.8
142.08656	4.9
142.12195	2.1
143.10590	2.7
145.04878	1.9
145.10083	0.8
147.02710	0.8
147.08047	3.2
147.11658	0.8
151.07440	1.2
152.10640	0.7
153.05356	0.9
159.02884	1.3
165.09045	2.1
181.12119	0.8
183.10138	1.1
183.13733	0.8
184.07306	0.8
187.05975	0.8
193.08492	0.9
196.16983	1.2
208.16985	0.8
209.11661	1.1
213.03889	1.0
214.16223	0.8
214.18045	10.6
219.01788	0.6
227.12799	1.1
231.05101	1.3
236.20132	1.0
238.18015	2.2
245.13808	2.4
254.21155	8.1
256.19153	5.5
280.19067	9.9
285.10129	1.6
298.20126	11.2
316.21191	100.0
317.21381	1.6
329.12100	2.4
329.66812	0.7
347.13376	2.6
396.27429	3.8
414.28494	34.5
418.20599	1.3
422.34631	0.8
455.10922	0.9
462.23459	4.2
478.26642	2.4
502.26343	1.2
506.18826	0.8
507.19696	1.1
508.20667	1.9
509.21014	2.4
520.27539	4.6
546.25598	2.4
564.26508	65.7
565.27057	0.9
576.34027	2.1
618.35095	1.8
662.33954	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.8
55.01881	4.1
55.05264	0.8
55.05513	10.6
57.03192	0.8
57.03441	11.3
57.07058	1.1
59.04987	1.4
61.02930	2.7
63.75854	0.5
65.03931	0.8
67.05507	23.2
69.03413	1.3
69.07074	6.7
70.63077	1.0
71.01361	2.2
71.04987	3.4
73.02919	0.9
79.05495	23.9
81.03419	8.5
81.07059	14.5
81.07616	0.5
81.07744	0.5
83.01348	3.9
83.04981	8.6
83.08624	7.3
85.02905	4.1
85.06542	2.0
91.03969	1.1
91.05482	11.6
93.07046	30.4
95.04971	5.2
95.08619	6.3
97.02899	2.5
97.06523	7.6
97.10172	6.4
99.04454	1.8
99.08087	1.3
103.05505	0.6
105.07027	4.9
107.04975	4.2
107.08598	19.8
109.06499	3.5
109.10175	3.4
111.04424	1.1
111.08093	1.0
115.05408	0.8
117.07025	5.2
119.08584	6.5
121.06537	2.2
121.10140	7.3
123.08076	3.8
123.11709	0.5
125.06004	0.8
125.09653	1.3
129.07106	0.4
130.07780	1.1
131.08554	1.7
133.10159	2.5
135.08060	1.3
135.11691	28.1
137.09633	1.3
137.71783	0.5
143.08546	0.8
145.06590	0.5
145.10129	11.2
147.08029	0.9
151.11162	0.5
153.12758	2.4
153.62592	0.4
155.08583	1.3
162.22940	0.5
162.25838	0.4
163.11183	15.6
173.00670	0.4
173.09631	2.0
181.10713	0.9
181.12230	6.9
191.10660	1.8
199.13295	1.3
209.11742	2.6
215.37981	0.5
227.12857	2.7
255.15916	48.9
256.16016	0.7
265.14380	1.7
283.15411	33.4
311.55228	0.5
339.29514	0.5
357.95828	0.4
445.25833	5.0
463.26913	100.0
464.27191	1.1
607.31378	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.363
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.4
55.01863	6.8
55.05513	12.6
57.03432	19.1
57.07067	6.0
58.92270	2.0
61.02925	74.6
67.05175	3.3
67.05507	46.7
69.03426	29.7
69.07060	13.9
69.44701	4.4
69.45117	18.4
70.06587	10.3
71.01346	5.3
71.04984	6.9
71.08627	2.8
73.02922	26.7
79.05495	30.3
80.07322	2.2
81.03412	28.2
81.06580	4.2
81.07052	51.5
83.04981	6.6
83.08620	8.1
85.02903	80.0
87.04455	3.7
88.07636	15.4
88.08870	1.9
91.03952	50.1
91.05473	24.9
93.07034	35.8
95.04958	7.3
95.08604	36.9
97.02887	70.4
97.10196	4.4
99.04461	11.5
99.08097	2.4
99.15709	2.2
101.02366	7.2
102.09196	13.8
103.03940	10.4
103.09530	2.7
103.67810	2.3
105.07033	20.2
107.04933	5.8
107.08593	21.1
109.02884	15.2
109.06496	4.9
109.10159	17.6
111.04407	3.4
111.08112	2.0
115.03926	6.9
115.05446	2.5
117.05486	3.0
117.07000	5.5
119.08565	16.9
121.06496	3.7
121.10160	19.7
123.08094	2.9
123.11716	8.4
125.09618	2.6
127.03901	31.2
129.05486	3.4
129.06992	3.5
131.08556	11.9
132.66972	2.3
133.10165	11.0
135.11697	14.4
137.05971	2.9
137.09549	2.7
145.04973	17.5
145.10136	11.4
146.75330	2.0
147.11693	8.8
148.32593	2.5
149.02335	19.0
149.09644	3.5
149.13280	6.2
150.02713	5.0
151.11174	2.3
155.07040	2.3
155.08568	2.4
157.10146	3.0
159.06537	2.7
159.11717	9.4
161.13246	4.2
163.05991	6.1
163.11227	4.8
163.14803	4.7
171.06534	3.8
171.11688	3.4
173.13277	9.6
177.12666	2.5
183.06560	7.4
185.13200	2.5
187.14861	3.5
193.04993	29.4
194.05295	9.6
201.07628	8.6
237.07632	5.3
243.21028	5.2
256.26337	21.0
257.26694	14.5
259.20670	2.4
261.22202	24.7
275.20090	3.2
285.22018	2.5
295.20889	2.7
317.24677	3.1
327.23206	2.7
335.25784	76.1
341.06750	3.3
342.06989	5.1
363.25504	3.1
369.24292	3.2
385.09348	6.3
386.09476	9.6
405.26639	2.5
429.11859	8.8
430.12189	12.0
443.28146	3.8
461.28964	4.9
479.30035	7.5
497.31256	3.7
514.80353	2.2
543.36530	2.2
561.37177	2.9
659.36145	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	659.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06364	0.5
50.90346	0.4
55.01813	0.5
55.05429	2.2
61.02856	0.4
65.03851	0.6
67.05410	4.6
67.69454	0.4
69.03342	1.2
69.03682	0.5
69.06976	1.9
70.06499	0.6
70.21461	2.2
71.04918	0.6
79.05386	2.5
81.03326	1.2
81.06953	5.2
85.02793	2.1
91.03864	0.6
91.05359	1.7
93.06934	1.9
95.04893	1.3
95.08492	2.2
97.02818	1.1
97.03356	0.4
97.06445	1.1
97.07533	0.4
97.08174	0.4
99.08020	0.5
99.93856	0.4
105.06908	1.5
107.08489	1.1
109.10155	3.7
111.08018	0.6
119.08525	0.8
120.07996	0.6
121.10067	1.2
122.05878	0.5
123.04353	0.6
127.03865	0.5
130.55774	0.4
131.08495	0.9
133.10023	1.1
135.11580	0.5
137.09479	0.9
139.03804	1.4
141.06920	0.8
143.08488	0.6
145.10077	0.7
147.04315	0.7
147.11583	0.7
149.09541	0.5
149.86043	0.5
151.07472	0.8
153.01826	26.3
157.06451	0.5
157.10027	0.5
163.11073	0.5
165.06902	0.5
165.09113	6.0
169.06403	0.4
171.02823	1.1
171.04311	1.4
173.05893	0.9
175.11034	0.4
175.14737	0.6
177.14131	0.4
181.06265	0.5
183.07907	0.5
184.05075	0.4
185.06023	2.8
187.03857	0.4
191.10529	0.6
197.05960	2.1
198.06566	0.5
211.03706	0.5
211.07364	1.3
221.05902	0.6
225.10226	0.5
233.05861	0.6
237.05449	1.1
239.06947	0.5
241.04828	0.5
241.13213	0.9
243.14810	1.2
251.07018	0.5
253.04819	1.2
253.13144	0.5
254.75264	0.5
257.04416	1.1
258.05197	1.7
263.06949	0.7
265.04947	2.5
266.05795	0.6
267.06497	1.8
269.04446	0.5
269.12711	0.8
271.05835	1.6
275.06912	1.2
279.06448	1.3
281.04636	2.1
282.05035	1.5
285.12531	0.5
286.04620	2.0
287.05478	6.5
291.06540	0.4
293.04440	0.8
293.07751	0.6
294.05246	1.2
295.06036	7.0
297.03986	3.9
298.04684	1.2
299.05365	1.5
303.06497	8.0
305.08179	0.6
307.05853	1.9
309.07617	0.6
310.04468	0.7
311.05515	7.6
319.05838	0.6
321.03778	2.3
321.07535	2.6
322.04651	0.8
323.05515	25.3
324.06384	3.3
325.06906	2.4
327.04868	1.1
331.06000	10.6
332.06519	1.3
334.04596	1.3
335.05524	2.1
337.07108	5.0
349.07040	11.4
350.07849	13.3
351.08511	1.8
363.08386	2.4
365.10043	0.5
377.10349	0.7
383.12393	0.8
407.15036	0.6
433.16476	30.4
434.16498	1.1
435.14206	1.5
451.17432	2.6
458.13159	2.2
458.63364	0.5
461.15952	100.0
462.16315	3.9
479.17026	85.3
480.17322	3.8
497.18085	81.7
498.18484	3.9
571.19165	1.0
571.69275	0.6
623.21820	0.6
631.27698	0.8
641.22516	1.5
659.22931	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	657.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08848	1.6
53.03943	7.1
55.01869	8.8
55.05511	18.5
57.03433	26.4
57.07084	3.1
61.02925	86.9
65.03939	3.7
67.05171	3.2
67.05505	40.3
69.03426	40.8
69.07066	18.1
71.01356	7.2
71.04982	8.3
71.60914	3.5
73.02917	33.7
75.04465	3.0
79.05487	44.7
81.03415	31.9
81.07054	44.7
83.04987	10.5
83.08624	9.3
83.18273	1.8
85.02905	100.0
85.06535	2.4
87.04503	4.5
91.03957	63.0
91.05477	50.9
93.07040	55.2
95.04979	11.6
95.08604	30.2
97.02889	79.1
97.06524	6.1
97.10196	4.3
99.04452	12.7
101.02393	9.8
103.03944	8.8
105.07025	44.6
107.04947	7.5
107.08594	28.9
109.02894	12.5
109.06517	6.3
109.10162	14.9
111.04440	4.7
111.08086	5.1
115.03938	7.7
115.05449	2.1
117.07016	19.6
119.08579	33.6
121.06501	2.4
121.10129	23.6
123.04439	2.8
123.08055	5.2
123.11712	3.4
125.09670	3.9
127.03912	30.5
128.06175	2.1
129.05493	3.8
129.06999	15.7
131.08582	24.8
133.06451	2.8
133.10136	26.2
135.08078	4.3
135.11694	20.2
137.09590	3.4
141.06976	5.5
143.08559	12.1
145.04961	19.1
145.10104	23.1
147.08044	5.2
147.11681	23.2
149.09613	7.5
149.13271	9.9
151.07520	2.9
151.11134	2.0
155.08553	5.4
157.10130	13.0
159.08061	3.8
159.11700	21.0
161.09641	2.4
161.13286	11.4
163.03912	5.4
163.06035	7.1
163.11238	3.7
163.14775	2.0
165.07002	3.0
167.08553	4.5
169.10167	6.8
171.06422	2.5
171.07961	2.4
171.11716	12.5
173.09630	3.6
173.13258	12.6
175.11237	6.1
175.14798	5.7
177.12753	5.1
179.14328	2.2
181.10104	6.5
183.06569	2.8
183.07976	3.4
183.11737	6.1
185.13268	8.5
187.11275	3.8
187.14757	3.8
189.12752	2.1
193.12204	4.0
195.11740	3.4
197.13252	6.5
199.11192	2.7
199.14850	7.0
201.12830	3.8
203.14304	2.1
205.12300	2.0
207.11795	2.1
211.13170	3.2
213.05501	1.9
213.12744	2.7
217.90097	2.1
223.11301	2.3
237.09071	1.9
241.19461	10.0
254.17003	2.2
257.19135	3.9
259.20544	20.7
267.15823	4.1
269.12430	3.9
271.20605	4.8
275.19986	2.4
277.21725	4.7
283.20618	2.5
287.05441	9.7
287.20047	2.4
295.20728	3.4
299.20041	2.7
301.21555	9.5
313.21817	4.6
315.23203	2.9
325.21539	5.3
331.22934	3.0
333.24216	41.8
339.23212	5.3
343.22733	2.3
345.24106	2.8
349.21561	4.6
351.25357	4.7
357.24319	2.7
361.23578	3.4
363.25323	3.5
367.22705	8.1
375.25406	11.2
385.23788	7.0
387.25320	3.6
403.24710	4.5
417.26416	5.0
429.18970	4.6
429.26385	2.4
441.26465	17.4
459.27307	16.8
477.28415	20.1
495.29419	17.4
559.35999	2.3
585.30591	3.1
592.94171	2.6
603.31854	3.8
621.32086	4.1
639.32660	5.3
644.98853	2.4
657.34906	12.3
657.43872	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	657.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	1.5
53.03945	8.4
55.01862	5.8
55.05514	21.7
57.03436	14.4
58.52497	1.5
61.02929	2.9
65.03943	2.8
67.05169	2.5
67.05506	35.3
69.03432	16.6
69.07076	8.2
71.04996	7.9
71.60924	2.1
73.02915	3.3
77.65941	1.5
79.05067	2.0
79.05495	30.0
80.05797	2.5
81.03422	100.0
81.07059	36.6
82.03737	2.7
83.04984	30.3
83.08620	24.9
85.02904	27.6
85.06557	3.1
91.03965	2.7
91.04897	2.5
91.05480	46.9
93.07046	26.5
95.04973	31.8
95.08616	15.0
97.02893	18.3
97.06544	6.7
97.10152	7.5
98.50386	1.3
99.04449	5.9
105.07029	33.9
107.04946	11.1
107.08591	14.7
109.02895	10.2
109.06527	8.4
109.10143	6.0
111.04447	13.8
111.08085	14.5
113.05978	2.7
115.05431	1.8
117.07001	6.0
119.08583	25.4
121.06483	3.9
121.10134	13.3
123.04409	1.4
123.08044	5.2
123.11716	5.4
123.32479	1.4
125.09634	5.9
127.03905	11.4
128.06212	2.4
129.05498	9.4
129.07008	13.9
131.08572	17.3
133.06480	5.1
133.10129	16.3
133.91133	1.3
135.08026	4.0
135.11673	4.3
137.05956	2.4
137.09706	1.4
142.07762	3.9
143.08611	2.4
145.06477	2.2
145.10144	5.9
147.08089	4.0
147.11687	21.7
149.05957	1.6
149.09596	8.5
155.08496	2.9
157.10130	20.2
159.11627	2.6
161.05934	1.6
163.11160	4.4
165.09131	3.6
165.12747	6.5
171.11612	1.6
172.92113	1.4
173.09593	2.3
175.11191	18.3
181.12215	2.4
183.06557	2.2
189.11224	3.3
189.12779	2.3
191.10623	3.6
193.12248	57.7
194.12611	3.7
205.12338	2.0
211.13290	94.6
212.13597	3.6
215.14488	1.7
217.12123	2.4
227.12752	6.3
229.14403	4.8
235.13359	1.9
249.14903	4.0
267.15927	31.2
268.16339	4.7
271.06006	2.9
273.14893	2.4
283.15253	4.3
285.17001	29.9
287.05475	11.5
301.14349	3.7
319.15323	3.2
337.16483	3.4
355.17542	6.6
359.22498	1.9
367.22638	2.8
375.18103	2.5
385.23682	5.3
393.19189	4.1
403.24838	2.8
411.20105	6.0
429.21375	9.3
451.26764	1.8
459.27213	16.0
460.27841	3.6
477.28412	20.2
478.28897	4.0
495.29483	40.4
496.29797	1.9
519.29340	1.7
603.31421	2.3
604.31812	3.1
621.32330	9.0
622.33063	3.9
639.33594	27.0
640.33746	4.1
657.32715	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	657.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.2
55.05519	0.9
57.03419	0.2
61.02915	0.2
64.29728	0.1
65.03919	0.2
67.05500	1.7
67.79881	0.2
68.99776	0.2
69.03408	0.7
69.07070	0.9
70.06564	0.7
71.04967	0.2
71.59138	0.2
71.59516	0.2
72.08125	0.2
79.05499	0.9
81.03401	1.2
81.07053	2.4
82.03721	0.2
82.07360	0.2
83.04969	0.7
83.08611	0.5
85.02887	0.7
85.06523	0.6
86.09689	0.5
91.05456	1.6
93.07037	1.6
95.04954	1.2
95.08609	1.4
97.02874	0.5
97.06532	0.4
97.10144	0.3
99.04438	0.3
99.08158	0.2
101.05997	0.3
102.04668	0.2
103.05462	2.0
104.06190	0.2
105.07018	0.8
107.04933	0.6
107.08596	1.1
109.02847	0.4
109.06492	0.3
109.10155	1.5
111.04399	0.4
111.11661	0.2
115.05428	0.2
117.07024	0.5
118.04160	1.0
119.04950	0.3
119.08566	1.0
119.60943	0.1
121.06492	0.8
121.10126	1.0
123.04436	0.5
123.08019	0.2
123.11710	0.8
125.02348	0.2
125.09637	0.4
127.03902	0.3
128.06219	0.2
129.05421	0.1
129.06996	0.3
130.04106	0.6
131.04012	0.2
131.04924	2.3
131.08562	0.4
132.05705	1.4
133.02846	0.2
133.06493	0.5
133.10114	0.5
134.03502	0.2
135.04419	0.5
135.08052	0.2
135.11671	0.4
137.05965	0.3
137.09618	2.6
139.11125	0.2
140.04675	1.5
145.06471	0.3
145.10100	0.5
146.03609	1.5
147.04373	0.4
147.11684	0.5
148.05209	0.5
149.05965	0.8
149.09590	0.6
149.13211	0.3
151.03938	0.4
151.07520	0.3
153.01819	2.9
153.05437	0.3
153.12811	0.2
154.06255	0.4
155.07054	0.4
157.10106	0.3
159.04375	0.3
159.11604	0.3
160.05212	0.9
161.05992	1.0
161.09572	0.2
162.03125	0.7
163.03888	0.5
163.07545	0.4
163.11166	0.3
163.14844	0.2
164.11401	0.2
165.09105	23.5
166.06294	0.4
167.06998	1.4
169.12213	0.3
171.02933	0.2
173.05904	0.2
173.13203	0.2
175.07613	0.2
176.04651	1.4
177.05463	1.9
178.06244	2.6
179.10680	0.3
180.07817	0.3
181.04903	0.2
181.08607	0.2
182.09315	0.2
189.09003	0.2
191.07018	3.4
191.10727	0.3
192.07828	1.4
193.08408	0.2
193.12239	0.4
193.13931	0.2
194.12468	0.2
203.03365	1.7
203.18074	0.2
205.12242	1.3
209.11623	0.2
210.08844	0.3
211.13298	0.4
212.13478	0.2
213.05498	0.3
229.04953	2.7
229.14189	0.2
241.04965	0.4
242.05728	5.7
242.08241	0.3
253.04915	1.3
256.07324	0.2
257.04437	38.2
258.05209	8.9
259.05820	0.3
259.17020	0.2
267.16049	0.3
269.04535	0.9
270.05188	1.3
271.05930	1.3
271.24176	0.3
272.06912	0.2
283.06049	0.4
283.15332	0.2
285.03912	5.4
286.04706	21.4
287.05481	13.7
288.05624	0.2
289.25269	0.2
295.06100	0.3
295.26517	0.4
297.03918	3.0
299.05463	1.1
300.06290	1.1
301.07104	0.3
307.26328	0.4
308.15054	0.2
311.05389	0.2
323.05478	0.4
327.04971	2.0
329.06393	0.2
341.06552	2.3
359.09158	0.4
369.27826	0.3
387.08685	0.3
387.28928	0.7
388.09387	0.3
391.08081	0.2
403.07938	0.2
415.07690	0.2
416.09048	0.5
419.07477	0.8
423.32764	0.6
431.07803	0.3
433.09094	0.3
441.33716	1.0
444.08395	0.6
445.09369	0.8
447.07019	1.1
449.08353	0.2
459.34879	0.3
461.08676	0.4
462.09430	1.8
465.11844	3.5
477.11807	14.7
478.12183	0.6
494.32120	0.8
495.12845	100.0
496.13239	3.3
639.23303	0.2
639.33209	0.2
656.36414	0.5
657.16852	1.8
657.35205	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03914	0.7
55.05490	0.7
55.05747	0.2
57.03437	1.1
61.02922	1.2
65.03910	0.2
67.05496	1.4
69.03428	4.7
69.07034	0.8
69.34592	0.8
69.35027	1.1
70.06580	0.5
71.01328	0.3
71.04961	0.7
72.08140	0.2
73.02908	1.0
79.05489	1.3
81.02991	0.3
81.03415	2.9
81.07065	1.8
83.04948	0.6
83.08592	0.6
85.02902	7.7
85.06518	0.3
86.09695	0.4
87.04439	0.7
91.03928	0.3
91.05484	1.6
92.42815	0.2
93.07038	1.5
95.04980	1.4
95.08588	1.5
97.02892	3.6
97.06503	0.5
97.10130	0.6
99.04422	0.6
101.02393	0.4
103.05464	1.4
105.03336	0.3
105.07034	1.4
106.04179	0.3
107.04913	0.8
107.08599	0.9
109.02216	0.2
109.02867	1.1
109.06497	0.6
109.10109	0.9
111.04401	0.5
111.08009	0.3
117.06982	0.3
118.04134	0.7
119.04911	0.3
119.08531	0.8
120.08068	0.3
121.06483	1.2
121.10113	0.9
123.04380	0.4
123.08047	0.2
123.11641	0.2
125.05984	0.3
125.09612	0.6
127.03907	2.0
129.06958	0.2
130.04140	0.2
131.04930	2.2
131.08530	0.7
132.05724	1.3
133.02850	0.5
133.06464	0.7
133.10094	0.5
133.11021	0.2
135.04378	0.7
135.08026	0.3
135.11664	0.3
137.05980	0.2
137.09570	0.3
139.03941	0.2
140.04630	1.2
143.08470	0.2
145.02805	0.2
145.04910	0.7
145.06479	0.5
145.10114	0.5
146.03622	1.3
147.04364	0.3
147.11667	0.4
148.05156	0.6
149.05948	0.8
149.09543	0.3
151.03873	0.3
151.07506	0.3
153.01826	2.7
153.05418	0.5
154.06184	0.6
155.06993	0.6
156.13847	0.2
157.10045	0.5
159.04381	0.3
159.11649	0.2
160.05161	0.8
161.02385	0.2
161.05922	1.2
161.09631	0.3
162.03065	0.4
163.03877	0.6
163.07526	0.3
163.11148	0.4
165.09059	1.0
166.06285	0.4
167.07043	3.1
170.35443	0.2
171.02873	0.2
173.04509	0.3
173.05943	0.3
173.13200	0.2
175.11139	0.3
176.04651	0.8
177.05458	2.2
178.06209	1.8
180.07764	0.3
181.08566	0.5
182.09360	1.1
184.07327	0.2
187.11189	0.2
191.07025	3.0
191.10634	0.5
192.07869	1.6
193.08521	0.4
193.12253	0.5
203.03374	1.5
209.08090	0.8
209.11705	0.2
210.08904	1.9
211.13248	0.6
213.05399	0.2
219.13721	0.2
227.12723	0.3
229.04964	2.9
241.04939	0.5
242.05728	4.8
253.04831	1.1
257.04443	37.2
258.05209	7.2
258.07544	0.1
259.05582	0.3
267.15842	0.6
269.04465	1.1
270.05273	0.9
271.06073	1.1
272.06674	0.2
283.06012	0.3
283.15167	0.4
285.03934	5.3
285.16718	0.2
286.04703	16.5
287.05475	11.2
297.03973	3.1
297.07367	0.3
298.04532	0.2
299.05530	1.0
300.06219	0.6
301.06909	0.3
311.05447	1.4
323.05502	0.7
327.04962	2.3
329.06610	0.3
341.06503	2.3
359.09131	0.2
373.07205	0.3
385.23724	0.3
387.08881	0.4
403.08194	0.3
403.24280	0.3
419.07520	0.5
421.08960	0.3
433.09186	0.2
444.08139	0.3
445.09271	0.6
447.06998	0.7
459.27408	0.7
461.08698	0.4
462.09641	0.9
465.11832	3.2
477.11774	11.7
477.27866	1.4
478.12442	0.3
495.12848	100.0
496.13040	2.2
499.67899	0.2
537.14014	0.4
657.32935	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.5
53.42371	0.3
55.01663	0.4
55.01873	4.2
56.96546	0.4
57.03432	2.2
61.02921	2.8
68.99771	2.1
69.03083	0.8
69.03428	10.6
70.06587	1.2
71.01351	1.1
71.04991	2.2
71.10716	1.0
73.02916	3.5
79.05476	0.9
81.03414	9.8
83.01331	0.4
85.02901	35.4
86.03224	0.4
87.00305	0.7
87.00823	11.2
87.04463	0.7
91.03935	1.2
91.05476	12.1
93.07029	0.5
95.04958	1.9
95.08586	0.4
97.02887	13.9
99.04451	5.7
103.03909	1.6
105.01856	12.3
105.06993	0.6
107.04948	37.7
107.08598	0.6
109.02878	13.6
111.04441	3.5
115.03896	2.0
115.05427	0.5
117.01823	1.7
119.04933	15.5
119.08572	0.5
120.05764	2.1
121.02863	2.5
121.06485	0.6
123.04424	2.9
127.03909	23.5
129.01842	3.0
131.04956	3.4
131.08571	0.4
133.02829	0.9
133.06474	0.5
135.04407	32.0
136.05215	2.2
141.06987	0.9
145.04939	13.7
145.06415	2.0
147.02841	2.2
147.04367	1.2
149.05907	0.6
153.06989	1.1
154.00046	0.3
155.08545	1.0
157.06456	0.7
157.71382	0.4
159.02872	7.9
159.04384	2.9
159.08018	0.8
160.05185	0.6
161.05971	0.8
163.03938	0.4
165.05475	1.2
165.06984	4.2
169.06525	0.5
171.02876	0.7
171.04370	0.4
172.67207	0.4
175.03889	0.6
177.03998	0.9
177.05411	0.9
179.08488	0.5
180.08688	0.4
181.06398	0.6
182.07213	0.6
183.08025	5.9
186.90802	0.3
187.07495	1.3
189.03937	3.8
189.05412	0.7
193.06473	1.3
193.12276	0.5
197.06070	0.5
197.09630	0.7
199.07579	0.9
201.03931	0.5
201.09015	0.5
204.28781	0.4
207.08009	1.4
210.06795	0.5
211.07549	4.0
213.03897	1.3
214.06238	0.5
219.04994	1.3
225.09113	3.3
228.07779	0.4
229.08583	100.0
230.08949	2.1
231.04921	6.3
231.06850	0.5
235.07549	0.7
239.07170	0.9
241.08571	8.0
243.10103	0.4
249.06056	1.3
249.09105	0.8
253.08589	27.6
255.10257	0.5
265.08569	2.9
267.10236	1.3
269.08084	0.9
271.09631	23.6
272.09958	0.5
277.08566	1.6
283.09656	0.8
291.10175	1.7
295.09637	14.6
301.08691	0.6
314.26883	1.1
319.09631	6.2
332.27893	1.0
337.10678	9.2
355.11563	0.6
361.40598	0.4
384.25479	0.4
423.10461	2.4
429.40497	0.5
441.11954	3.5
459.12842	1.7
477.13913	3.7
507.31689	0.5
531.50134	0.4
597.29614	0.4
656.38379	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	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66454	1.3
53.03948	8.8
55.01875	12.9
55.05514	26.5
57.03436	15.1
59.04987	2.1
61.02924	2.8
65.03931	1.8
67.05505	38.4
69.03433	23.6
69.07065	9.8
70.13541	5.7
71.01330	1.7
71.04649	1.4
71.05000	10.8
73.02914	2.8
77.03912	1.4
79.05061	2.9
79.05491	35.8
81.03420	100.0
81.06584	2.1
81.07059	42.0
83.01335	5.1
83.04984	42.8
83.08140	2.0
83.08620	25.2
85.02900	23.0
85.06526	2.5
86.09738	1.3
87.04453	1.4
91.05476	37.1
93.07047	37.0
95.04968	29.4
95.08145	1.3
95.08615	15.9
97.02907	20.6
97.06510	13.2
97.10187	7.0
99.04458	7.7
99.08128	2.3
101.25906	1.2
103.05421	2.0
105.07024	22.4
107.04958	13.0
107.08601	18.7
109.02883	19.8
109.06529	9.3
109.10168	14.3
111.04443	22.6
111.08083	14.5
113.06032	1.5
115.05415	3.1
117.07013	10.2
119.04934	2.6
119.08572	23.0
121.06503	4.4
121.10143	16.6
123.04409	2.5
123.08102	6.8
123.11702	1.7
125.09615	5.5
127.03937	16.6
129.05519	8.7
129.07008	14.7
131.04918	1.9
131.08569	15.8
133.06471	3.1
133.10118	10.1
135.08051	2.9
135.11688	15.8
137.05992	1.9
137.09630	3.9
142.07806	2.8
145.06500	1.9
145.10136	15.5
147.04352	2.6
147.08026	4.6
147.11697	15.4
149.06099	1.6
149.09583	7.2
149.10638	1.4
151.11169	1.6
153.01825	8.7
153.09146	1.8
153.12732	8.9
155.08537	3.2
157.10129	12.6
159.04396	2.0
159.11656	1.9
161.09612	1.6
163.03889	5.3
163.11180	27.0
165.09111	1.8
165.12706	5.6
173.04474	2.4
173.09605	6.9
175.11198	12.6
181.12222	10.0
183.06586	2.0
187.03920	3.7
189.05417	1.6
189.09012	1.7
189.11310	2.1
191.10687	13.0
193.12231	39.8
194.12627	2.4
199.04034	1.5
209.11707	8.0
211.13295	50.7
213.05444	2.2
227.12790	30.4
229.14328	6.3
249.14973	2.5
265.14478	2.2
267.16031	16.2
273.14572	1.9
283.08612	1.6
283.15417	38.7
285.10068	2.0
285.16998	13.8
301.16605	2.4
312.39124	1.6
319.78876	1.7
353.15851	5.0
355.15591	5.2
371.17288	1.8
393.19125	1.7
407.11102	1.6
409.18231	2.5
411.19794	3.3
427.19574	6.3
429.19534	8.4
435.14212	9.2
457.25983	4.3
475.26907	14.7
479.17032	15.3
480.17160	1.8
493.27939	55.6
509.27472	1.4
511.29004	3.8
563.28119	1.5
583.28979	1.8
619.30682	4.9
637.32074	30.8
638.32190	3.0
655.32776	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21704	1.9
53.03943	11.2
55.01874	15.3
55.05512	34.8
57.03435	21.5
57.07071	5.4
61.02942	2.2
65.03952	2.7
67.05506	67.1
69.03427	26.6
69.07063	17.0
70.05290	7.7
70.05712	3.9
71.01334	3.9
71.05003	12.2
73.02914	8.1
79.05491	55.1
80.05846	2.3
81.03419	100.0
81.07059	51.7
83.01344	2.7
83.04990	30.2
83.08625	28.4
85.02907	28.3
85.06551	6.0
87.04482	2.4
87.94334	2.0
91.03982	2.2
91.05486	44.7
93.03453	2.2
93.07051	50.4
95.04977	36.1
95.08606	35.7
97.02894	25.8
97.06525	12.3
97.10167	12.4
98.70065	1.7
99.04456	8.7
99.08102	3.8
103.03954	2.7
103.05477	2.5
105.07029	35.0
107.04962	23.9
107.08601	29.7
109.02893	12.7
109.06531	12.1
109.10168	26.1
111.04436	18.7
111.08085	13.5
117.07024	11.0
119.08584	28.8
121.02905	2.9
121.06509	9.8
121.10137	25.8
123.04421	4.8
123.08083	3.6
123.11765	2.3
125.06014	2.5
125.09637	9.1
127.03922	16.9
128.06235	3.1
128.16959	2.2
129.05478	6.9
129.07011	12.7
131.08569	16.3
133.06479	5.6
133.10149	13.5
135.04414	4.0
135.08090	6.4
135.11684	39.4
137.09642	4.9
143.08556	3.8
145.06430	2.7
145.10139	28.1
147.04396	4.9
147.08041	6.7
147.11699	14.9
149.06018	2.6
149.09653	9.2
151.11214	2.6
153.12758	6.7
155.08664	2.4
157.10121	13.7
161.05998	2.7
161.09627	2.3
163.03918	8.2
163.11182	50.8
165.09213	2.7
165.12817	5.8
173.02328	2.6
173.04585	4.1
173.06111	2.0
173.09645	6.0
173.11804	4.4
173.13277	2.5
175.11147	14.1
177.09149	2.3
181.12201	9.8
187.03941	3.7
189.11136	3.6
190.43390	2.0
191.10693	6.8
193.12251	37.5
199.03998	2.1
201.12964	2.0
201.14775	3.9
209.09924	2.3
209.11644	10.7
211.13286	37.5
213.05499	3.1
227.12793	61.6
229.14313	12.9
235.13362	3.2
247.13335	5.7
249.15062	4.3
265.14380	2.5
267.15985	26.9
280.57870	2.0
283.15463	49.1
285.10162	5.5
285.17133	9.6
301.16788	2.3
353.15750	2.4
355.15515	7.2
381.66803	2.0
393.19077	2.7
421.25763	7.6
425.71027	2.1
427.19565	5.0
429.20819	18.2
435.14252	4.8
439.27161	3.8
457.25421	2.4
457.33331	2.1
458.26642	3.3
461.15509	3.3
464.55875	2.2
475.26779	31.0
476.27386	3.6
479.17157	7.5
493.28073	42.6
574.29932	2.2
576.70038	2.2
583.31000	3.5
619.30554	4.1
637.31787	37.0
655.32465	18.7
683.19073	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	655.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02385	1.3
53.03947	8.0
55.01868	12.1
55.05507	23.0
57.03433	18.5
57.07077	7.2
57.96867	1.4
59.04985	1.8
61.02909	2.0
65.03932	2.5
67.05504	45.4
69.03430	28.5
69.07066	13.1
69.34498	4.4
69.34921	9.7
71.01349	4.2
71.04981	10.3
73.02903	5.2
75.84749	1.2
77.87683	1.4
79.05492	45.7
81.03416	100.0
81.07056	44.5
83.04987	25.8
83.08618	25.1
85.02419	2.5
85.02901	25.8
85.06541	5.6
86.04044	1.2
86.09682	2.6
87.04456	1.7
91.03951	1.7
91.05479	43.9
93.03401	1.7
93.06474	2.0
93.07041	33.9
94.94099	1.5
95.04969	30.4
95.08606	23.0
97.02895	30.7
97.06535	12.0
97.10142	10.5
98.21501	2.7
99.04448	7.5
99.08052	2.8
100.81443	1.3
101.02361	2.1
103.05467	1.9
105.06377	2.6
105.07030	29.6
107.04964	16.2
107.08586	22.8
107.74673	1.4
109.02878	15.8
109.06505	9.7
109.10157	19.3
111.04446	12.5
111.08080	11.2
113.05978	2.6
115.03915	2.1
117.07015	9.8
119.05000	2.2
119.08583	23.1
121.06478	6.3
121.10139	20.1
123.04422	5.2
123.08059	5.8
123.11691	3.7
125.02394	1.7
125.06001	1.7
125.09629	9.7
127.03919	10.3
127.11170	1.4
128.06210	2.3
129.05502	2.2
129.07013	13.4
131.08556	15.6
133.06487	3.8
133.10139	14.5
135.04388	3.4
135.08028	6.1
135.11670	11.7
137.06015	2.8
137.09579	4.1
139.03915	2.3
139.07440	1.8
139.11183	2.7
142.07779	2.5
143.03424	2.8
143.08540	2.7
145.06479	1.9
145.10132	13.8
147.04393	2.5
147.08057	5.2
147.11671	16.4
149.05974	2.5
149.09601	8.8
149.13303	2.6
151.11107	1.7
153.01765	2.6
153.09073	1.5
153.12738	5.0
155.08565	2.7
157.10115	15.1
159.08063	1.6
159.11627	1.9
161.05975	1.8
161.09593	2.1
163.03926	2.0
163.11160	15.5
165.09084	3.6
165.12740	5.6
169.10138	2.3
171.11739	1.8
173.04488	5.4
173.09605	5.3
173.11769	3.4
175.11220	13.9
177.12740	2.0
181.12212	8.9
184.07310	4.0
189.11256	3.0
191.10649	6.8
193.12256	35.5
199.06017	1.8
205.12177	2.4
209.11699	10.6
211.13284	39.7
223.13228	3.1
227.12808	15.1
229.12294	1.6
229.14313	5.2
241.14432	1.7
247.13319	1.7
265.14325	3.8
267.09213	1.5
267.13397	1.8
267.15933	18.0
271.13269	1.7
273.14966	3.1
277.14267	1.6
283.15411	14.2
285.10095	2.6
285.16992	7.9
289.14380	3.3
301.16666	3.3
307.15353	1.5
313.16168	1.8
331.16501	1.3
353.15753	2.9
355.17841	2.5
409.18750	1.7
411.20056	4.1
421.25800	6.6
427.20007	3.6
429.20581	1.8
435.14047	2.7
439.26776	5.6
457.25769	3.4
475.26642	12.4
479.17053	4.4
493.27512	10.3
511.28806	5.0
583.29779	2.3
601.29425	1.7
619.31024	2.3
637.32031	13.4
655.33124	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.3
55.05509	1.0
55.92741	0.3
57.07073	0.5
60.52931	0.3
60.69452	0.3
67.05487	1.4
69.07078	0.6
70.15545	1.5
75.79481	0.3
79.05507	1.0
81.03416	0.4
81.07049	1.5
83.04996	1.8
84.43048	0.3
85.06526	0.3
91.05486	1.4
93.07040	1.3
95.04981	0.7
95.08620	1.1
97.10175	0.4
105.07041	1.3
107.04923	0.6
107.08617	0.7
109.10165	0.7
117.07008	0.6
119.08589	0.8
121.10159	0.5
129.07060	0.4
130.25711	0.3
131.08598	0.4
133.10130	0.6
135.11723	0.6
145.10152	0.6
147.11687	0.6
159.11697	0.3
175.01601	0.8
181.02666	1.1
199.03796	0.4
203.34644	0.3
213.55580	0.3
227.04628	0.7
251.42926	0.3
273.18536	0.5
275.20212	0.5
277.21765	0.3
313.12042	0.4
369.18314	0.4
390.70401	0.3
391.19290	1.0
392.20105	0.6
405.16452	1.6
405.21613	0.6
406.21863	0.6
407.18530	0.4
407.22546	3.6
408.22870	0.3
418.17596	0.5
419.18079	2.5
419.23392	0.6
420.19507	1.3
421.20203	1.1
432.19229	0.4
433.20691	4.7
434.21100	4.2
435.21857	7.7
436.22922	0.6
446.20718	0.4
447.17981	1.6
447.22336	1.4
448.18829	1.1
448.23773	0.5
449.19101	1.9
451.21024	0.5
461.19556	1.1
461.24554	0.7
462.20297	4.5
463.21188	4.0
475.21060	1.6
476.22147	0.9
477.23083	1.4
478.23712	0.6
479.20294	0.7
489.22986	1.3
490.23987	0.4
493.21973	0.8
494.23141	0.5
495.24146	1.5
506.23468	0.4
507.23947	1.2
508.24911	1.7
509.25620	1.2
521.25696	11.7
522.25946	0.5
534.22467	0.4
535.25281	0.3
543.18768	0.6
543.36865	1.0
549.25031	16.8
550.25165	0.8
553.24414	0.9
557.38159	0.8
563.26581	3.2
564.27332	0.8
577.24652	0.4
581.27734	3.9
595.29303	10.8
596.29730	0.7
599.25159	1.5
607.29181	0.5
609.27069	11.8
610.27972	0.6
623.28540	1.1
655.31250	100.0
656.31622	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	655.2762
Annotation	Coproporphyrin I
Peak:m/z	Relative Intensity
53.03919	0.7
54.58875	0.6
55.01875	0.9
55.05516	3.9
57.03411	1.6
65.03954	0.7
67.05504	6.1
69.07071	1.6
70.05305	1.4
70.05719	2.2
71.04980	0.6
71.08618	0.8
79.05504	4.8
81.03423	2.0
81.07055	6.4
83.04966	1.1
83.08640	0.7
91.05472	4.2
93.07040	4.9
95.04964	2.2
95.08587	3.2
97.06539	1.2
98.20872	0.9
105.07037	3.6
107.04953	2.2
107.08602	2.7
109.06537	1.5
109.10147	1.2
111.04464	0.8
113.06008	0.9
117.07020	1.1
119.08601	2.4
121.06544	1.0
121.10152	1.5
125.09693	0.7
129.06999	0.8
131.08577	2.3
133.10126	1.6
135.08035	1.0
135.11668	1.7
135.26448	0.6
145.06496	0.8
145.10150	2.0
147.11717	1.5
149.09601	0.9
157.10126	1.1
159.08104	1.4
159.11696	1.9
163.11148	1.1
169.10175	0.9
171.11668	0.7
174.37183	0.6
179.14343	1.2
187.11127	0.7
273.18524	1.3
275.20087	3.7
286.16428	0.7
289.18005	1.5
291.19501	1.4
293.20795	1.0
349.23636	1.4
363.21921	0.7
374.61127	0.8
377.17529	0.9
391.19180	2.0
403.19693	1.0
405.16611	3.1
407.22714	4.4
418.17841	1.4
419.18158	4.6
420.19327	2.5
421.20337	1.9
433.20395	10.0
434.21136	6.0
435.21906	5.2
445.20099	1.0
447.17902	2.0
447.22678	1.1
449.19623	1.0
461.19366	1.0
462.20621	1.9
463.21390	2.6
465.19202	1.8
475.21484	1.0
479.20630	1.4
489.23340	0.9
491.21103	1.1
493.22571	1.0
503.02707	0.7
517.22729	1.0
520.24469	1.6
521.25830	8.2
525.36914	0.9
543.37061	3.9
548.24072	1.1
549.25073	11.4
550.24622	1.1
565.24615	2.0
577.24457	8.5
580.27118	2.0
581.27692	2.2
595.25372	3.8
609.27094	1.8
637.26337	3.9
637.41010	2.1
655.27612	100.0
656.27905	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	655.2538
Annotation	Mezerein
Peak:m/z	Relative Intensity
51.02386	0.2
51.07169	0.2
53.03955	0.2
54.41021	0.2
55.01870	0.3
55.05515	0.7
57.03433	0.2
65.03943	1.4
67.05511	1.4
69.03431	0.3
69.07061	0.4
71.61260	0.3
78.85206	0.2
79.05495	1.1
80.05843	0.1
81.03415	1.2
81.07059	1.3
83.04986	0.4
83.08636	0.2
91.05483	12.8
93.07028	0.8
93.71088	0.2
94.04189	0.4
95.04964	0.5
95.08615	0.6
96.55499	0.2
97.02911	0.3
97.10165	0.3
102.26219	0.2
103.05482	0.5
105.07029	0.9
107.04975	1.0
107.08582	0.7
109.02851	0.3
109.06514	0.8
109.10149	0.6
117.07021	0.5
119.04945	27.1
119.08566	0.6
121.06518	0.9
121.10154	0.3
122.03661	1.0
123.04412	0.3
123.08093	0.4
125.09595	0.2
128.06212	0.4
129.07010	0.7
131.04918	0.7
131.08585	0.6
133.06491	2.2
133.10104	0.3
135.08105	0.3
137.05978	22.2
143.04947	0.3
143.08542	0.6
145.06502	1.4
145.10226	0.2
147.04413	100.0
148.04752	0.7
149.02353	3.3
149.03496	0.4
149.06003	0.2
149.09593	0.3
151.07553	2.7
157.06496	0.8
157.10204	0.2
159.08093	0.2
159.11720	0.2
159.94107	0.2
163.07539	2.8
165.05449	0.3
171.08061	0.7
173.06052	0.2
173.09763	0.2
174.06776	0.5
175.07545	0.8
177.09268	0.3
187.07545	0.3
188.08411	0.3
189.09105	2.2
191.10551	0.3
193.04958	3.0
193.12117	0.2
203.10698	2.3
211.13368	0.3
213.05539	0.2
218.47884	0.2
220.90941	0.2
227.12700	0.2
237.07550	2.9
263.10651	0.8
267.16293	0.2
289.17960	0.2
295.13306	3.1
327.15894	3.9
341.06781	0.3
385.09094	0.5
429.11963	0.9
557.34589	0.5
577.13257	0.4
621.15497	0.7
637.40399	0.3
655.31818	0.4
655.41974	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	653.3532
Annotation	Withanoside III
Peak:m/z	Relative Intensity
53.03939	9.1
55.01861	8.1
55.05511	26.0
56.78994	3.2
57.03434	16.6
57.69583	3.2
59.53170	3.2
61.02919	3.6
65.03947	3.1
67.05503	56.9
68.30814	3.2
69.03423	14.4
69.07056	15.4
71.04995	8.5
71.59564	3.9
71.59931	3.1
72.54314	3.6
79.05056	5.4
79.05489	66.3
81.03415	89.8
81.07050	59.3
83.04993	26.6
83.08619	24.6
85.02896	14.2
85.06515	3.4
88.69937	3.3
91.05481	67.3
93.07043	58.5
95.04964	38.0
95.08600	36.4
97.02883	18.3
97.06509	10.1
97.10160	4.4
97.47585	4.5
99.04454	6.7
99.43918	3.7
105.07033	49.2
107.04957	15.2
107.08588	25.8
109.02874	9.3
109.06512	12.5
109.10143	12.3
111.04456	9.2
111.08091	12.2
114.25278	3.4
114.37812	3.8
117.07019	11.5
119.04919	3.5
119.08574	33.4
121.06503	7.0
121.10140	13.8
127.03921	9.2
129.07030	18.8
131.08569	15.1
133.06464	5.8
133.10101	15.9
135.11682	5.6
143.08540	7.8
145.10123	14.1
147.04395	9.4
147.08035	5.4
147.11664	36.4
149.09625	6.6
157.10138	11.5
161.13249	8.4
163.03854	4.4
163.11157	9.3
171.07803	4.0
171.11717	15.2
175.11194	14.5
181.12308	3.9
189.12735	8.2
191.10666	3.3
193.12206	26.3
207.13771	23.4
211.13260	29.4
227.12791	7.6
229.14226	4.0
267.09088	3.2
267.15982	26.8
281.17426	63.6
283.15405	6.9
285.17065	6.1
355.15469	4.1
429.20914	14.3
470.04324	3.5
473.28992	100.0
491.29782	12.1
635.34161	37.1
653.32672	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	653.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.6
55.01875	21.7
55.05265	2.6
55.05509	36.1
57.03440	18.7
57.07067	8.6
59.04991	4.2
61.02911	2.1
62.73162	1.4
65.03929	4.9
67.05505	67.4
69.03428	40.3
69.03801	2.6
69.07068	16.4
69.45886	11.4
71.01342	5.6
71.04991	11.6
73.02899	4.8
73.06546	1.7
77.03909	2.5
79.05491	64.5
81.03419	100.0
81.07055	49.7
82.07380	1.7
83.01322	5.5
83.04978	31.8
83.08617	23.8
85.02905	22.3
85.06523	4.2
91.05479	53.3
93.06473	2.8
93.07043	54.7
95.01249	1.5
95.04974	35.4
95.08604	24.6
97.02890	40.6
97.06528	12.9
97.10167	15.2
99.04458	10.1
101.02358	3.6
103.05436	2.0
105.07030	33.9
107.04949	30.2
107.08582	26.2
109.02872	18.5
109.06516	11.3
109.10158	23.3
111.04433	15.9
111.08087	10.1
115.03904	4.0
115.05469	4.4
117.07018	15.3
119.04974	3.5
119.08575	25.0
121.06519	8.9
121.10139	15.9
123.04415	7.6
123.08069	10.3
123.11715	2.6
125.06003	3.3
125.08842	2.2
125.09622	17.0
127.03902	14.4
128.06174	1.5
129.07010	12.2
130.07771	2.2
131.04938	2.3
131.08577	14.9
133.06467	3.5
133.10107	11.9
135.04373	5.7
135.08058	4.2
135.11702	18.1
137.05943	3.2
137.09586	4.5
141.06958	2.3
142.07687	1.8
143.03352	2.3
143.08542	4.5
145.06482	5.4
145.10124	20.0
147.04372	4.4
147.08014	5.5
147.11690	16.4
149.05988	2.4
149.09599	7.4
149.13206	1.7
151.03816	1.9
151.07520	1.9
153.05513	3.4
153.09123	2.1
153.12772	14.9
154.80977	1.5
155.08517	1.9
157.06476	1.6
157.10139	7.7
159.08005	2.9
159.11653	2.2
161.09639	2.8
161.13197	2.1
163.03894	2.2
163.11197	29.7
165.09163	1.6
165.12770	2.2
171.11696	6.0
173.04456	5.7
173.05940	1.5
173.09579	4.9
173.11691	4.1
175.07538	1.5
175.11172	6.7
175.12576	1.6
179.10727	1.9
181.12216	9.5
183.06535	1.8
189.11192	5.2
189.12770	3.1
191.10606	8.7
193.12244	19.0
199.06049	3.2
199.13266	2.5
205.12216	1.9
207.13756	3.8
209.11745	12.4
211.13290	16.1
223.13223	2.3
227.12752	18.9
229.14297	4.7
235.13150	2.5
265.14587	2.5
267.15891	8.9
281.17477	12.6
283.15402	19.0
294.38080	1.4
295.15228	1.5
353.15802	4.4
411.19699	1.7
427.19562	2.8
429.21042	3.5
437.25299	6.1
438.25583	2.7
473.28961	20.0
476.68481	1.9
491.26028	4.3
491.31137	2.3
581.29614	2.7
635.33319	10.3
653.31488	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	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	5.7
55.05504	27.5
57.03442	11.2
57.07069	11.3
59.04999	5.0
62.34466	3.9
66.71439	3.7
67.05507	100.0
69.03429	17.0
69.07069	17.5
69.35691	37.7
71.04983	4.0
71.08620	6.6
79.05500	33.0
81.03423	41.1
81.07059	69.2
83.04980	18.5
83.08624	10.8
85.02949	6.7
85.06543	6.7
85.10188	5.2
86.00643	3.7
91.05476	27.7
93.07037	37.2
95.04990	11.9
95.08614	43.3
97.02874	10.3
97.06496	7.3
97.10181	11.3
99.04531	4.4
99.08064	7.1
100.14466	3.9
105.07032	23.0
106.98523	4.1
107.08569	22.2
109.02893	8.7
109.10159	67.5
111.04513	5.5
111.08089	4.7
117.07043	12.4
119.08588	14.4
121.10150	17.1
123.08096	5.8
123.11727	7.9
125.09618	8.1
127.03907	7.5
129.05492	11.9
129.07030	7.0
131.08571	16.0
133.10143	16.2
135.11673	11.0
137.09628	8.9
143.08589	4.3
145.10146	13.0
147.11653	13.2
149.13309	5.2
155.10789	4.1
159.11722	11.3
161.13306	7.3
173.11816	22.4
173.13190	5.1
175.11238	5.4
175.14801	6.5
185.13194	6.3
189.11235	11.7
189.12791	4.6
227.12683	9.9
229.14352	38.9
273.12396	4.4
287.53439	4.8
335.25848	8.0
337.27426	7.8
369.24225	8.3
387.25311	5.9
479.29807	5.8
489.35895	7.8
498.94891	4.2
587.68427	5.6
597.38098	6.4
615.38806	9.3
633.39807	28.2
635.17816	5.3
651.44666	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01878	3.4
55.05518	33.4
57.03434	10.7
57.07080	3.9
59.04998	4.1
65.03928	3.9
67.05507	100.0
69.03117	3.3
69.03439	28.7
69.07070	16.9
70.58688	2.6
71.04993	7.7
71.32986	4.0
74.24368	2.6
75.64101	2.9
79.05496	35.5
81.02981	4.2
81.03425	56.7
81.07061	65.3
83.04980	22.5
83.08622	16.7
85.02899	7.3
87.04429	2.5
91.05480	35.5
93.07050	34.9
95.04974	11.7
95.08614	53.0
97.02912	18.6
97.06555	3.7
97.10176	13.7
99.04453	6.6
105.07030	19.2
107.04951	5.4
107.08615	24.4
109.02895	11.0
109.06506	4.7
109.10166	62.2
111.04456	10.5
117.07011	11.0
119.08593	31.0
121.06497	5.6
121.10147	17.6
123.08120	3.8
123.11691	9.4
125.09631	15.4
126.94844	2.9
127.03906	9.1
129.05510	14.1
129.07007	11.9
131.08568	16.9
133.10133	15.5
135.08075	6.4
135.11710	8.3
137.09627	3.6
139.11227	3.0
143.08559	7.2
145.10114	17.0
147.08092	2.9
147.11691	13.6
149.13260	7.8
155.08553	4.9
156.88567	2.8
157.10153	7.5
159.11690	9.6
161.09579	2.8
161.13240	7.4
163.14702	2.8
169.10191	4.8
171.11656	3.9
173.09641	3.9
173.11749	19.0
173.13280	6.9
175.11334	3.2
178.07899	2.6
183.06425	2.5
183.11719	5.0
185.13251	3.6
187.11218	3.1
187.14867	4.7
189.11172	15.9
195.11624	2.9
199.14934	3.0
205.84607	3.0
209.13396	3.1
223.79602	3.5
227.12764	14.5
229.14362	32.2
245.13858	4.4
261.22168	8.4
285.21756	2.7
295.64450	2.5
299.14969	4.4
301.21750	4.0
303.23029	3.3
305.13687	2.7
327.23471	3.2
335.25858	17.6
337.27448	15.0
345.23984	2.7
351.23053	6.4
369.24112	13.1
371.16995	10.6
373.18533	11.1
387.25369	6.7
395.28574	2.7
405.26331	5.4
443.27805	4.2
461.29007	4.2
479.29987	5.8
489.35593	10.7
507.36926	5.5
597.37585	8.6
615.38916	9.7
633.39911	35.9
651.40839	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	651.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	3.9
53.03948	20.8
55.01870	12.9
55.05515	26.9
57.03436	14.7
65.03934	4.7
67.05505	70.9
69.03435	33.3
69.07069	16.1
69.36801	18.1
69.37244	15.1
71.04995	13.7
73.06567	3.6
79.05495	95.8
81.03420	100.0
81.07059	66.2
81.07521	5.3
83.01369	4.5
83.04983	37.8
83.08627	17.3
85.02914	12.4
85.06561	5.0
91.05482	63.7
93.07049	96.6
95.04962	35.0
95.08617	34.9
97.02900	26.6
97.06549	13.4
97.10179	10.5
99.04472	10.7
103.05486	5.0
105.07025	60.4
105.73375	2.9
107.04969	32.3
107.08575	33.2
109.02876	20.8
109.06552	16.8
109.10181	13.3
111.04471	17.7
111.08109	9.7
115.05446	5.6
117.06987	21.8
118.71395	3.2
119.08578	34.9
121.02824	3.5
121.06519	9.4
121.10156	20.5
123.08067	10.6
125.06052	4.3
125.09684	4.7
127.03926	21.3
127.07539	4.3
128.06223	6.1
129.05566	4.6
129.07001	21.3
130.07797	3.6
131.04967	5.5
131.08582	14.8
133.06519	3.9
133.10143	20.6
135.08055	9.2
135.11700	25.6
141.06995	4.0
143.08566	15.9
145.06512	6.1
145.10133	27.1
147.04460	4.0
147.08060	9.1
147.11694	34.3
149.09671	6.0
151.07686	4.8
153.12762	14.6
155.08559	4.2
157.10129	5.9
159.08128	4.6
161.09621	5.8
161.13283	12.6
163.11200	31.4
165.12589	3.8
171.11673	27.6
173.09656	9.1
179.14325	4.3
181.12279	13.2
185.09570	3.9
189.11266	3.3
189.12770	12.9
191.10703	14.3
197.13506	3.9
205.93076	3.1
207.13799	38.6
209.11792	4.6
221.15364	4.4
225.14832	4.7
227.12775	25.4
233.12709	3.7
265.14377	12.7
269.15332	6.3
281.17499	69.0
283.15402	46.7
287.16397	11.3
309.16907	3.8
351.17889	5.3
353.16086	11.3
427.19708	37.9
471.27484	29.3
489.28369	42.9
490.28979	5.3
569.30933	6.8
633.32574	65.7
651.34473	14.4
654.35236	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	649.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	11.9
55.01871	6.3
55.05511	30.6
57.03435	15.1
59.12965	3.3
59.64877	3.1
63.69597	3.3
64.43473	3.1
65.03933	4.7
67.05236	2.7
67.05503	89.7
69.03423	26.0
69.07069	16.0
69.46797	20.1
69.47210	6.9
71.04987	10.0
79.05495	100.0
79.05963	5.7
81.03414	49.6
81.07053	73.9
83.04978	22.6
83.08610	13.1
85.02898	15.6
85.06514	7.2
88.07616	3.1
91.05481	97.3
93.07043	97.3
95.04973	47.5
95.08610	51.2
97.02901	10.8
97.06535	13.8
97.10162	5.2
99.04478	5.1
102.65003	2.9
103.05490	5.1
105.07030	80.9
107.04955	26.9
107.08597	33.6
109.02898	8.8
109.06516	11.9
109.10168	14.7
111.08072	6.4
115.05443	5.7
117.07027	26.3
118.14180	3.2
119.08587	51.4
121.06509	12.6
121.10159	18.2
123.08095	10.5
127.03922	6.6
128.06244	9.1
129.05486	4.8
129.07014	42.5
131.04951	6.7
131.08546	23.3
133.06503	9.6
133.10150	22.4
135.08058	7.2
135.11777	4.9
137.09659	9.8
141.06998	7.0
143.08546	28.5
145.06506	13.0
145.10123	24.7
147.08076	10.9
147.11702	43.7
149.02336	3.4
149.05981	3.4
149.09645	6.0
151.07520	4.3
155.08560	7.5
156.09482	3.4
157.06436	8.8
157.10109	9.6
158.10980	3.1
159.08083	8.9
159.11699	11.1
161.09651	12.2
161.13249	16.4
163.11223	8.7
165.09018	3.8
167.08646	7.9
167.10614	3.3
169.10130	8.5
171.08067	6.9
171.11710	44.5
173.04448	10.3
173.09665	4.7
173.13307	7.4
179.14285	4.2
181.10176	4.1
185.09715	6.6
185.13217	5.2
187.11273	6.9
189.12685	22.2
195.11613	4.5
197.13339	6.0
207.13750	37.2
213.16031	4.3
221.15373	11.5
221.24118	3.6
223.14844	7.9
224.22734	3.9
225.14923	11.4
227.14398	3.3
228.23344	4.4
231.13850	4.8
233.13295	5.5
233.15468	6.3
241.15894	8.6
257.15298	4.1
259.17041	7.1
269.15329	16.5
281.17456	75.5
287.16412	16.8
297.14978	5.7
309.17130	4.3
333.17157	3.8
351.18036	5.2
361.20245	6.8
407.20450	3.9
425.21497	9.8
434.81683	3.2
469.14536	4.8
487.30505	58.8
488.30603	3.6
501.32449	4.6
567.33118	10.7
585.34064	4.1
631.34314	18.5
649.37976	31.9
649.50281	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	649.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.4
55.01864	0.6
55.05506	0.5
57.03428	0.5
62.19562	0.3
67.05510	1.4
68.05036	0.7
69.03430	1.1
69.07067	0.9
70.01584	1.0
70.01994	1.4
79.05503	0.8
79.16780	0.4
81.03410	0.9
81.07060	1.8
83.04968	0.4
83.08624	0.4
84.08147	0.4
85.02908	0.8
86.09697	0.7
89.13116	0.3
91.05499	1.4
93.07056	0.9
94.06567	1.1
95.04967	1.4
95.08632	0.8
96.08128	1.3
97.02879	0.6
97.06522	0.5
98.21507	0.4
99.08119	0.5
105.07037	1.1
106.06544	0.7
107.04974	0.5
107.08590	0.9
108.04507	0.5
108.08113	1.0
109.06476	0.5
109.10167	0.5
119.08647	0.5
120.04498	0.4
120.08131	1.1
120.67450	0.4
121.10139	0.9
122.06032	3.1
122.09673	0.7
123.08054	0.4
124.07595	29.0
125.08358	0.4
125.09595	0.5
133.10173	0.5
134.06042	1.1
134.09776	0.5
136.07565	0.9
138.09085	0.5
144.04453	0.8
146.06015	9.0
147.06770	0.9
148.07556	2.2
152.07063	0.6
156.11911	0.4
160.07655	0.6
162.05511	1.1
162.09125	0.6
163.06232	0.6
166.08678	0.5
172.03951	6.5
173.04732	1.3
174.05510	11.3
174.09094	0.5
175.06157	0.4
176.07074	7.7
177.07797	0.5
178.08733	0.4
180.10202	0.7
185.10880	0.5
186.09177	0.6
187.12364	0.5
188.07100	0.6
190.04950	2.1
191.05785	4.3
192.06595	2.0
197.10786	0.9
198.09355	0.9
199.08710	1.3
200.09315	0.6
201.10127	0.6
204.06564	12.3
206.08136	4.9
208.09702	1.0
209.10789	0.4
211.08693	1.6
211.12286	0.7
212.09351	0.8
213.10146	1.9
214.10905	0.7
215.11789	2.2
217.09831	0.4
220.09975	0.5
223.08792	0.4
224.53610	0.4
225.10196	2.5
226.08737	0.8
226.10915	0.7
227.08127	0.6
227.11855	1.3
228.12491	0.5
229.09726	0.9
229.13210	0.5
236.09290	0.4
237.10370	1.2
238.10960	0.5
239.11829	1.7
240.09067	0.5
241.09659	1.9
243.11298	11.3
245.12912	1.1
249.10344	0.8
250.10938	0.7
251.11807	0.9
252.12428	0.5
253.09920	1.1
253.13715	0.5
254.10352	0.9
255.11247	1.4
256.12082	1.0
257.09204	1.0
257.12964	1.1
259.10791	0.8
260.11145	0.5
263.08215	0.9
263.11652	0.6
263.14206	0.5
264.09045	1.1
265.09680	2.3
266.10620	0.6
267.11307	1.1
269.09283	2.0
269.12909	6.0
270.09909	0.8
271.10983	2.0
271.14468	2.8
272.11551	0.5
273.12448	0.8
274.13062	0.5
277.09692	0.9
278.10391	0.7
279.11298	1.7
280.12167	0.7
281.09314	1.1
281.13007	0.5
283.10739	5.1
284.11603	1.3
285.12369	15.1
286.12921	0.7
287.10248	3.8
288.15088	0.6
290.12973	0.4
293.12741	0.6
295.10828	0.9
296.11514	0.6
297.12314	16.4
298.13101	1.1
299.10336	4.0
299.13898	1.0
300.11389	0.6
300.14951	0.5
301.11853	2.6
302.12714	1.8
303.13403	30.6
304.14224	1.7
304.72360	0.5
311.10370	1.2
311.13885	0.7
313.11917	1.4
314.13223	0.6
314.16660	0.8
315.13397	10.8
316.10825	1.1
316.14557	1.5
317.15359	0.8
318.15958	2.1
319.13342	0.5
319.16794	2.0
323.10425	2.0
324.11008	1.3
325.12091	1.0
326.12671	0.5
326.16949	0.4
328.14658	0.8
329.11703	0.9
329.15063	5.9
330.12442	1.7
330.15933	0.5
331.13345	1.1
332.13974	1.2
332.17590	1.0
342.12448	0.8
342.16211	0.5
343.13437	1.2
344.14008	2.7
345.14890	1.8
346.15601	4.0
347.16400	4.1
348.17307	0.5
354.12329	1.0
355.13858	0.5
356.14014	1.3
356.18118	0.5
357.15079	0.7
358.11844	1.1
358.15610	2.3
359.12515	0.7
360.13419	0.5
360.17242	3.5
370.11743	0.8
370.15717	1.2
371.12546	1.8
372.13477	5.0
372.17239	0.9
373.14026	3.1
374.14984	4.1
374.19009	0.6
376.16458	0.7
378.18002	0.6
384.13019	0.6
384.17337	1.0
385.14352	1.9
386.14987	7.6
387.15784	6.7
388.16583	5.4
390.14166	0.8
398.15121	0.5
400.12830	1.2
401.13425	1.5
401.17902	0.6
402.14423	1.8
402.18393	1.4
403.15451	0.9
404.15811	3.2
405.16919	1.9
406.17551	5.9
408.19308	0.7
412.16510	1.0
413.14673	0.5
414.14389	6.4
415.15295	14.0
416.16006	19.1
417.16217	0.6
418.17737	1.7
419.18274	0.7
428.15939	2.2
429.16589	1.6
430.17807	4.7
431.18234	1.7
432.15405	2.9
433.16321	4.0
434.17053	4.2
438.14383	0.8
438.68628	1.0
442.19803	2.7
443.20132	0.6
446.17184	6.0
447.17673	2.9
448.18634	0.5
456.15585	3.7
457.16107	1.7
458.17014	1.1
460.15063	1.3
474.16595	19.0
475.17273	11.6
476.18054	4.4
489.19016	1.1
493.18140	0.5
494.19138	0.6
506.19269	3.6
507.19846	2.4
508.21075	0.6
539.23120	0.5
555.26007	1.1
557.24231	2.2
581.23956	4.8
586.23901	0.5
599.25006	100.0
600.25293	3.2
617.25732	0.9
631.27728	6.6
649.27936	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	649.2673
Annotation	Unknow
Peak:m/z	Relative Intensity
69.67969	0.2
70.06596	0.5
70.65266	0.2
71.59156	0.3
71.73661	0.2
72.08146	0.3
74.46719	0.2
83.56668	0.2
85.02896	0.3
86.09724	0.3
93.07054	0.4
104.88825	0.3
118.52363	0.2
122.99503	0.2
136.07565	0.3
167.07111	0.3
178.78389	0.2
185.04248	0.5
189.02599	0.2
203.05312	1.0
259.07867	1.3
311.06259	0.3
325.16260	2.0
335.11774	0.3
347.09558	1.2
365.10590	2.2
421.13275	1.8
487.21521	22.1
488.21722	0.6
604.11310	0.3
607.83575	0.3
649.26764	100.0
650.26959	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	649.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50835	0.2
65.14046	0.2
69.03432	0.4
70.06583	0.8
71.58512	0.3
71.58889	0.4
81.07056	0.3
85.02887	0.6
86.09714	0.4
91.05495	0.4
95.04946	0.3
97.02882	0.4
99.75440	0.3
105.07016	0.4
107.08584	0.2
108.08105	0.4
109.10225	0.3
116.06927	0.3
119.08628	0.3
136.07581	0.6
137.06010	0.6
138.44781	0.3
147.99168	0.3
166.22350	0.3
185.04112	0.3
205.81883	0.3
214.08551	0.5
225.10150	0.3
227.11934	0.3
229.13075	0.3
239.78139	0.3
242.08226	0.3
251.11418	0.4
252.09471	0.5
255.11484	0.5
259.07938	0.6
267.11371	0.4
269.12317	0.7
271.05988	0.3
285.12360	0.6
301.11850	0.3
313.11899	0.4
315.13358	0.7
325.16183	2.5
327.13498	0.4
330.13406	0.8
347.09540	1.1
487.21515	23.7
488.21826	0.4
595.57373	0.3
631.24286	0.4
649.26758	100.0
650.27246	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	647.2716
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28165	1.0
55.05490	2.0
55.59132	1.1
61.02922	1.6
67.05495	4.6
69.03418	2.3
69.07051	4.0
70.06609	1.4
71.60545	1.3
79.05497	3.3
81.03415	1.5
81.07058	7.2
83.08620	1.9
85.02900	2.6
85.06530	1.5
86.09685	1.7
91.05477	3.9
93.07033	3.9
95.04973	3.6
95.08608	3.0
97.02882	1.4
97.06549	1.2
98.56408	1.3
99.04459	1.2
102.94495	1.2
105.07016	3.3
107.08607	1.7
109.10154	3.0
111.08089	1.4
113.14814	1.2
119.08591	2.7
121.10194	3.2
122.06067	3.7
122.09641	1.6
123.04430	1.2
123.11641	1.3
124.07581	3.8
129.10284	1.4
131.08577	1.8
133.10130	2.0
136.07611	1.4
137.34496	1.2
140.07005	1.1
146.06020	1.8
149.09618	1.5
150.09187	2.4
153.05437	1.8
154.04907	1.9
157.10056	1.7
160.07545	1.3
162.09074	1.3
166.08707	1.2
171.11603	2.0
173.13344	1.5
211.08670	2.7
213.10196	1.6
218.08168	2.3
221.10756	3.1
225.10275	2.9
227.12085	1.6
235.08678	3.2
236.09441	3.2
237.10191	4.0
238.10985	2.1
239.11899	1.5
241.09648	1.7
243.11263	1.5
247.08762	1.4
248.09506	2.1
249.10240	15.8
250.10902	5.6
251.11815	16.6
252.12617	2.5
253.09698	1.8
253.13403	1.7
262.11078	1.8
263.08118	4.3
263.11804	4.2
264.08810	1.9
265.09750	3.7
265.13443	2.4
275.10367	1.6
277.09726	9.4
278.10480	2.1
279.11362	8.4
281.09195	3.1
283.10880	1.5
285.09735	1.6
285.12451	3.3
287.13895	1.6
291.11319	1.4
295.10852	5.1
296.11591	2.0
297.12378	3.3
301.12073	2.1
303.13580	3.2
309.12317	7.7
310.13043	2.3
311.13937	5.4
312.15244	1.6
313.11902	1.8
314.12915	2.7
315.10239	1.5
316.14676	2.6
323.10187	6.4
323.13876	4.0
324.14716	1.5
325.12073	2.2
326.13037	1.4
326.16541	2.4
327.10815	1.6
328.10886	4.8
328.14551	1.3
329.11636	5.5
330.12415	1.8
330.15918	1.5
331.13068	2.3
339.13785	2.1
340.14572	2.9
341.11984	1.5
342.12357	4.0
343.13132	6.5
344.10437	1.8
344.13995	10.2
352.14417	3.3
353.11737	2.6
354.16058	1.8
355.12656	6.0
356.13882	9.8
357.14682	4.7
358.15631	6.8
359.12436	1.8
367.13104	2.2
368.14008	3.2
369.14795	2.2
370.11758	4.2
370.15594	3.8
371.12463	1.8
371.16513	1.9
372.13126	7.2
372.17166	3.5
373.17767	4.5
374.14752	1.7
380.13708	1.8
381.22745	1.5
382.15549	3.1
383.12183	2.6
383.16498	3.1
384.13159	3.5
385.14130	4.5
386.14682	6.2
386.19061	2.1
388.12735	2.9
389.17163	1.8
396.13397	4.2
397.14090	1.3
398.15063	4.8
399.15704	3.5
400.12045	7.5
400.17609	6.5
401.17575	1.9
402.14468	4.7
404.16010	5.0
410.15335	1.9
412.12888	1.6
414.13980	10.0
416.16095	3.5
417.12158	1.9
417.16885	4.8
418.17560	3.5
426.14206	2.6
427.14920	2.0
428.16180	7.1
430.13586	3.1
431.31622	1.8
432.15536	4.6
433.16132	2.1
434.21024	1.6
442.18198	7.0
444.15671	3.6
445.16443	6.5
446.17352	9.7
448.18866	2.3
449.32407	1.7
454.14038	8.5
455.14493	3.0
456.15305	4.5
460.19205	12.9
472.15146	10.6
473.15820	35.8
474.16574	55.7
476.18173	13.2
477.18805	4.6
487.17136	1.6
488.17996	3.0
492.17471	9.0
504.17636	17.4
505.18457	100.0
506.12207	2.5
506.19281	47.0
507.19220	1.7
522.18134	1.8
523.19421	15.4
524.20514	6.5
579.22272	5.9
597.23560	28.7
598.23779	2.7
611.25085	5.8
615.24451	3.6
629.26086	38.3
630.25989	2.3
647.26538	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	644.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.01880	0.9
55.05260	0.4
55.05513	5.1
55.05783	0.3
57.03436	4.6
57.03702	0.4
57.07074	0.2
59.05011	0.4
59.62449	0.2
60.04525	0.5
61.02926	9.5
67.05503	6.8
69.03434	3.2
69.07073	1.9
70.06597	0.7
71.01363	0.2
71.04993	1.8
71.59251	0.3
73.02921	3.3
77.53047	0.2
79.05495	8.0
79.05959	0.4
81.03418	35.1
81.07056	9.7
82.03763	0.2
82.39578	0.2
83.04980	7.0
83.08618	12.9
85.02905	19.1
85.06561	0.6
86.09682	0.2
87.04462	0.4
91.03960	9.0
91.05481	10.2
93.07043	6.3
95.04971	13.6
95.08603	3.4
97.02895	7.0
97.06538	1.4
97.10149	1.7
99.04461	0.9
99.08119	0.3
101.02378	0.2
103.03927	0.2
105.07030	7.8
107.04951	2.6
107.08596	3.3
109.02876	0.5
109.06521	2.3
109.10146	1.1
111.04462	1.3
111.08081	6.9
113.06022	1.1
115.03923	0.7
115.05463	0.7
116.98621	0.2
117.07025	0.8
119.04958	0.5
119.08576	7.4
121.06482	0.8
121.10133	3.8
123.08096	0.9
123.11665	1.0
125.09632	0.6
127.03925	2.8
127.07582	0.2
129.07007	4.6
131.08565	5.1
133.06499	1.6
133.10139	5.3
135.11719	0.3
137.09645	0.9
142.07809	1.1
145.04944	3.4
145.10126	0.7
147.08035	1.7
147.11682	8.6
149.09618	3.4
151.11198	0.3
157.10129	7.6
163.06017	5.2
163.11197	0.3
165.12782	2.3
167.24580	0.2
175.11189	10.1
193.12244	37.1
194.10924	0.2
194.12651	0.6
196.82094	0.2
211.13292	32.0
212.13686	0.3
229.14406	1.1
249.14911	0.3
249.22676	0.2
255.11295	0.3
267.15915	16.0
268.16281	0.3
281.22720	0.2
285.16959	100.0
286.17398	1.1
303.18143	1.5
309.17249	0.3
337.26553	0.2
350.29047	0.3
375.17535	0.2
393.18787	0.2
400.46591	0.2
409.23154	0.2
411.19986	0.4
420.05283	0.2
429.21213	1.5
447.22153	0.6
464.65094	0.2
512.34296	0.2
644.37323	0.4
667.26740	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	644.3122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13660	0.2
53.03932	0.7
55.01859	0.7
55.05267	0.3
55.05508	3.7
57.03436	4.4
57.10782	0.2
61.02926	6.1
65.03938	0.2
67.05504	6.0
69.03426	1.9
69.07066	1.6
70.06571	0.7
70.72218	0.6
71.01355	0.3
71.04987	1.6
72.08147	0.2
73.02913	2.2
79.05492	6.1
81.03414	22.6
81.06580	0.5
81.07053	7.4
83.04980	4.8
83.08617	9.7
84.08131	0.3
85.02901	13.5
85.06528	0.5
86.09676	0.4
87.04440	0.3
91.03402	0.3
91.03958	5.0
91.05478	8.5
93.06472	0.3
93.07042	5.3
95.04358	0.4
95.04965	8.0
95.08601	2.3
97.02885	3.9
97.06504	1.0
97.10158	1.2
99.04465	0.7
99.08073	0.4
105.07030	6.5
107.04963	1.8
107.08608	2.3
109.02883	0.4
109.06516	1.7
109.10141	0.7
111.04421	0.7
111.08080	4.2
113.06020	1.1
115.05450	0.4
117.07066	0.3
119.08571	5.3
121.06500	0.5
121.10144	3.0
123.08028	0.7
123.11683	0.6
125.09641	0.3
125.53820	0.2
127.03903	1.7
127.07574	0.3
129.07004	3.4
131.08571	3.8
133.06479	1.1
133.10127	3.7
135.11649	0.2
137.09567	0.6
142.07733	0.7
145.04944	1.9
145.10130	0.4
147.08060	1.0
147.11688	5.6
149.09621	2.0
151.11200	0.3
157.10129	5.5
163.06013	3.0
163.11212	0.3
165.12766	1.6
175.11172	6.9
184.91699	0.2
193.12238	21.4
194.12543	0.2
211.13284	16.1
225.18332	0.2
229.14366	0.4
246.90430	0.2
267.15918	6.1
285.16953	100.0
286.17325	1.3
309.16977	0.2
411.20181	0.6
429.21252	1.9
447.22244	3.1
556.81201	0.2
609.26984	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	641.4413
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80670	3.3
53.03937	5.3
55.01867	17.4
55.05515	54.4
57.03429	13.1
65.03922	5.1
67.05505	100.0
69.03429	9.5
69.07069	42.0
71.04991	14.0
71.08636	4.1
71.60860	4.7
79.05494	81.1
81.03442	8.8
81.07058	99.8
83.04971	9.3
83.08632	25.1
85.06539	6.4
91.04955	7.1
91.05479	70.4
93.07046	76.1
95.04958	24.3
95.08605	50.7
97.06532	18.7
97.10181	28.5
99.08113	3.6
105.07024	79.2
107.04958	16.1
107.08588	59.0
109.06515	15.7
109.10170	30.4
109.22314	3.7
111.08109	7.8
115.05451	7.1
117.07021	28.5
119.08579	56.8
121.06525	7.3
121.10138	31.7
123.08073	9.7
123.11698	10.4
125.09615	24.8
129.07013	21.5
131.08586	39.9
133.10124	43.4
135.08064	13.7
135.11765	18.8
137.09648	5.0
142.07777	6.4
143.08537	22.9
145.10126	42.5
147.08047	7.0
147.11691	28.6
149.09612	11.5
149.13300	8.5
151.07565	4.3
151.11194	6.9
153.09033	4.6
155.08563	11.8
157.10162	16.1
159.07990	4.1
159.11668	27.5
161.13280	17.2
163.11185	7.8
167.08575	8.7
169.10162	16.7
171.11713	16.2
173.09744	3.9
173.13284	17.4
175.11205	7.6
175.14809	8.3
177.12769	4.6
177.33286	3.5
181.10156	6.5
183.11708	14.6
185.11842	4.2
185.13287	15.9
185.79111	3.5
187.14832	8.0
189.11253	10.0
189.12738	4.5
195.11693	7.7
197.13268	15.6
199.11273	4.5
199.14833	8.0
200.82181	4.2
209.13281	6.1
211.14949	9.0
213.16338	6.1
215.17848	6.0
223.13184	8.7
225.16325	4.1
227.12801	22.6
239.18031	4.0
241.19576	14.3
257.19037	12.6
259.20554	27.0
263.17520	4.5
268.10071	3.8
273.18549	6.5
275.20081	40.0
285.22327	5.9
289.18066	17.2
291.19504	45.8
293.21225	4.3
333.24222	25.8
349.23660	10.5
363.26651	6.1
365.23389	15.8
379.29886	8.7
397.11603	4.1
397.30737	5.0
511.34448	5.6
514.71246	4.4
529.35223	11.5
531.38153	9.1
543.37225	24.9
549.39557	5.1
605.42017	14.9
623.28210	9.8
623.43091	82.8
641.44189	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.3
55.01865	4.8
55.05511	26.9
57.03434	13.6
59.04998	2.1
61.02916	3.6
65.03928	5.9
67.05503	86.6
69.03424	19.4
69.07066	15.1
71.04990	49.2
71.59785	4.9
73.02928	2.9
79.05488	39.7
80.05819	3.3
81.03421	100.0
81.07054	43.6
82.03735	3.1
83.04971	18.8
83.08610	23.1
85.02894	17.3
85.06537	3.9
87.04464	3.1
91.05474	54.5
93.07046	36.6
95.04974	31.6
95.08614	22.2
95.70699	2.3
97.02901	19.4
97.06503	9.8
97.10146	7.5
99.04452	5.1
99.08100	3.1
105.07023	28.3
107.04959	10.4
107.08592	22.2
109.02861	16.8
109.05885	1.9
109.06490	10.6
109.09456	3.9
109.10151	51.9
110.30126	2.1
111.04452	10.6
111.08081	8.4
113.06016	2.2
117.07027	9.0
119.04958	2.0
119.07800	2.6
119.08581	28.9
121.06484	7.5
121.10134	13.5
123.04391	4.1
123.08055	4.3
123.11728	3.6
125.05981	3.0
125.09603	6.1
127.03911	9.3
129.05487	2.6
129.07034	14.3
131.08580	14.3
133.06474	6.9
133.10106	14.4
135.08047	5.8
135.11679	17.2
137.05997	2.4
137.09605	15.8
141.06979	2.4
142.07901	2.4
143.08588	5.2
144.98897	2.3
145.06516	2.6
145.10115	7.5
147.08049	4.6
147.11703	18.3
149.09616	7.3
151.11154	4.6
153.01826	5.8
155.10692	3.3
157.10114	14.0
159.11693	3.0
163.03934	2.6
163.11214	11.8
165.12767	4.8
171.11560	2.3
173.04494	8.1
173.05887	2.3
173.11781	15.4
173.13084	3.5
175.11150	12.4
181.12228	4.7
187.13240	3.3
191.10664	3.7
193.12248	34.3
193.13855	3.1
194.12546	3.8
211.13290	47.6
227.12852	3.8
229.14389	5.1
233.15541	2.0
237.14589	2.1
243.15897	4.1
253.14276	2.5
267.15997	14.0
269.17502	3.3
271.06076	6.2
277.21533	2.3
285.16992	8.5
287.05429	3.1
287.18637	5.0
307.15451	3.3
325.16501	6.4
329.21454	2.2
337.15985	2.5
337.22055	2.2
341.11777	2.6
381.19150	5.3
383.12399	2.9
403.24585	4.5
411.20175	2.5
413.17380	4.0
421.25891	16.5
435.14319	8.6
439.26877	13.2
447.27289	22.5
453.28610	10.3
465.28729	4.7
469.19611	3.1
479.17157	11.8
479.29944	3.9
497.31076	16.4
500.03275	2.4
508.56650	2.4
543.28961	2.4
543.36542	9.1
555.29224	2.9
565.30414	2.5
573.30939	3.3
591.31531	3.9
609.23962	3.6
609.32373	15.4
623.32550	10.7
641.32697	63.8
641.45874	66.2
642.32349	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	641.2974
Annotation	Crooksiine
Peak:m/z	Relative Intensity
51.65520	0.4
55.01878	1.0
55.05512	2.5
57.03436	0.6
57.07076	0.5
63.57076	0.4
67.05511	6.0
69.03447	0.4
69.07073	2.9
70.03101	2.1
71.04999	0.8
71.08630	1.4
79.05496	5.5
81.03425	3.2
81.07065	6.5
83.04979	1.1
83.08619	1.2
85.06540	0.6
91.05484	4.4
93.07043	5.3
94.45137	0.3
95.04981	2.3
95.08617	3.8
97.06544	1.1
97.10195	1.2
98.21354	0.6
99.08107	1.0
105.07034	4.4
106.85268	0.4
107.04977	1.3
107.08603	4.3
109.06538	1.5
109.10171	1.7
115.29284	0.4
117.07020	1.4
119.08604	3.5
121.06506	0.6
121.10147	2.0
123.08114	0.6
123.11706	0.6
123.96716	0.4
125.09653	1.0
129.07019	1.0
131.08595	1.7
133.10144	2.6
135.08017	0.5
135.11719	1.9
137.09706	0.4
143.08551	0.7
145.10168	1.9
147.11731	1.7
149.09663	0.8
149.13268	0.7
151.11212	0.7
157.10159	1.0
159.11761	1.3
161.13336	1.0
163.11211	1.3
165.12921	0.5
169.10178	0.8
170.99965	0.4
171.11742	0.6
173.13324	0.5
175.11275	0.5
177.12804	0.5
179.14325	3.7
185.13290	0.7
189.11343	0.4
189.16551	0.5
193.12341	0.8
227.12740	0.9
257.19138	0.9
258.16913	0.4
259.20575	0.5
264.66101	0.4
275.20139	3.9
277.21573	2.5
291.19778	0.5
349.23822	1.7
351.25412	0.6
373.40543	0.4
377.17465	0.5
379.19507	0.8
391.19211	1.0
392.20526	0.6
393.20862	1.4
394.21661	0.4
405.16626	2.4
405.21756	0.6
406.17783	1.0
406.22421	0.5
407.18106	1.0
407.23001	3.0
408.22986	1.0
416.05179	0.5
419.18280	2.2
420.19455	1.9
421.20258	4.7
422.20792	0.5
423.21869	1.3
433.20325	4.3
434.21268	3.4
435.21985	5.8
436.22510	1.1
447.22031	1.2
448.23190	0.6
449.19678	7.8
451.21396	0.5
461.23825	0.6
462.20200	0.5
463.21191	3.0
464.21924	2.4
465.18539	0.5
467.24640	0.7
477.23099	0.6
479.20255	1.0
481.22150	1.7
493.21765	2.1
494.22809	2.8
495.23764	3.3
507.23795	1.4
509.25589	0.4
521.25732	9.3
522.26239	0.9
523.27167	0.5
525.35706	0.8
526.25610	0.6
535.23462	0.5
539.23358	1.5
543.36853	11.2
549.25281	0.5
550.26654	0.4
553.27942	0.7
563.25903	0.8
567.26202	0.6
581.27661	19.8
582.28174	0.7
609.26819	0.5
613.30133	0.6
623.24939	0.7
623.42963	2.5
641.29724	100.0
642.29932	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	640.187
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.3
69.03424	2.2
70.06590	0.6
70.18994	0.5
70.19411	0.7
79.05482	0.3
85.02892	0.8
91.05481	5.0
93.07052	0.6
95.04934	0.4
97.02891	100.0
98.03244	0.3
103.05463	2.3
105.03411	0.3
105.07035	0.7
106.06530	0.4
108.04496	0.3
115.03926	1.7
116.43385	0.2
118.04166	1.5
118.06557	1.1
119.04922	0.6
119.07306	0.3
120.08093	2.6
127.03868	0.3
130.06511	0.5
131.04942	1.9
133.06477	0.2
134.05994	0.5
135.04411	0.7
135.11679	0.3
146.06003	4.9
147.04410	0.8
148.07585	0.9
152.03418	0.4
158.06059	0.3
163.06210	0.3
164.07071	3.1
168.92393	0.3
175.03864	0.3
177.00725	0.3
184.07681	0.2
188.07018	0.5
192.06548	11.7
196.07526	0.3
197.06029	0.3
209.15491	0.3
210.07614	10.4
214.08716	1.2
231.58444	0.3
242.08122	2.2
260.09174	14.6
288.08707	2.3
296.55322	0.3
306.09714	59.8
307.10052	0.3
324.10779	5.9
351.74496	0.3
366.11859	0.7
384.10724	0.3
407.35504	0.3
450.13766	0.3
468.15030	0.5
486.15451	0.4
508.13196	0.3
541.18353	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	639.4326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	2.0
57.07069	0.6
58.06598	6.0
65.34882	0.3
67.05505	1.3
69.07051	0.9
69.66154	1.4
70.06585	0.7
72.08157	11.5
73.06202	0.3
73.06545	1.5
79.05495	0.8
81.07053	1.2
83.04989	1.1
83.08620	0.5
84.08157	0.6
85.08936	0.4
86.09705	21.7
91.05499	0.9
93.07048	1.0
95.04991	0.7
95.08626	0.6
98.06026	0.7
100.11258	100.0
101.06029	2.0
101.11600	0.4
105.07029	0.5
107.08614	0.5
109.10155	0.6
119.08545	0.6
121.10139	0.3
128.10739	0.5
131.08586	0.5
133.10101	0.4
140.14348	3.5
143.08147	0.3
145.10127	0.5
146.11758	2.1
154.12241	1.7
154.15941	1.0
172.13327	2.5
182.11801	0.5
200.12840	0.4
200.16505	1.0
210.14914	0.4
214.14442	0.8
228.15956	6.6
275.20145	0.3
285.21725	5.4
299.23257	7.1
313.21283	0.6
327.22778	11.6
367.26151	0.5
395.25571	0.8
412.31763	0.5
427.28940	0.3
440.31259	3.6
458.32257	6.3
484.33887	0.8
512.33478	0.9
526.35101	1.2
527.37238	0.9
540.36481	0.4
592.03302	0.3
611.43811	33.4
612.44629	0.7
621.42377	0.3
639.43384	16.1
640.43262	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4256
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.2
55.01853	7.0
55.05510	23.5
57.03440	22.9
58.17631	1.9
61.67528	1.7
65.03924	2.8
67.05503	47.9
69.07066	15.9
69.53498	9.8
69.53915	5.3
70.60540	2.2
72.74474	2.0
79.05062	2.6
79.05495	41.6
81.03413	5.7
81.07062	50.4
83.04997	14.1
83.08622	8.5
85.06543	4.3
91.05483	53.0
93.07049	44.4
95.01324	3.5
95.04965	16.9
95.08607	32.8
95.51458	2.3
97.06550	4.8
97.10163	6.1
100.12099	1.9
105.07034	36.2
107.04953	16.8
107.08598	23.9
109.06532	10.6
109.10167	10.4
111.04441	8.0
113.05997	6.3
115.05460	2.2
117.07035	20.7
119.07792	2.6
119.08582	31.7
121.06520	5.3
121.10150	14.5
123.08075	6.1
128.06189	4.1
129.06998	14.0
131.07025	2.8
131.08571	29.2
133.06511	5.8
133.10143	17.6
135.08055	8.2
135.11690	10.6
139.11223	2.8
141.06995	6.8
142.07805	5.4
143.08604	14.6
145.06453	4.9
145.10130	25.0
147.08064	4.7
147.11710	13.2
149.09610	5.0
149.13240	3.6
151.11101	1.9
154.07759	2.2
155.08522	7.3
157.10110	12.3
159.08058	5.7
159.11714	16.6
161.09605	4.6
161.13295	7.4
163.11179	5.8
163.14867	2.0
165.07115	1.8
167.08571	5.4
168.09439	1.9
169.10101	13.6
171.08150	2.8
171.11661	14.2
173.09648	3.9
173.13261	6.8
175.11150	3.8
175.14746	3.6
177.12750	5.4
179.08527	3.7
181.10170	7.4
183.11676	10.2
185.09711	3.3
185.13213	7.1
187.11217	5.7
187.14842	4.9
189.12747	3.1
193.10124	4.9
195.11717	6.8
195.13777	1.9
197.09668	2.7
197.13286	6.8
199.11234	4.5
199.14813	4.1
201.12753	2.7
201.16309	2.3
205.10233	3.0
207.11723	6.1
207.13634	2.2
209.13277	6.2
211.14847	5.1
213.12910	2.3
213.16431	4.3
215.14342	2.4
217.15898	2.8
219.11670	2.9
221.13277	3.2
223.14899	2.0
233.13234	3.2
233.15424	3.4
237.16356	2.6
239.17755	2.4
241.14302	3.2
247.14714	2.3
251.14070	2.1
253.18057	2.4
257.18994	4.0
259.20782	2.2
261.18640	2.9
261.21573	1.9
271.16864	3.9
273.18607	4.3
275.20206	4.7
279.15875	14.4
281.17288	2.6
289.17978	12.7
291.19604	6.3
313.21674	2.2
325.25458	3.5
333.24170	4.5
343.26334	4.3
346.44025	1.9
363.21887	6.3
365.24228	1.9
369.24313	3.8
391.26349	2.0
421.06778	1.9
422.69540	1.9
443.28534	2.6
469.13123	1.8
473.34137	6.8
491.35178	6.3
509.36453	3.4
511.35986	2.7
527.37122	6.0
529.36536	6.8
539.33545	3.1
541.39343	10.2
547.37964	10.4
565.38879	22.2
567.36261	3.5
583.39813	3.5
593.41821	4.7
603.40167	7.4
607.25519	3.1
621.41541	100.0
622.41675	4.9
639.27448	4.3
639.42651	52.8
640.42389	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	639.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01881	8.5
55.05519	21.9
57.03449	11.1
57.07069	1.5
60.12100	1.3
61.02936	2.1
64.21427	1.3
65.03928	4.8
67.05507	50.9
69.03423	14.9
69.07069	11.5
69.42705	10.9
69.43110	2.3
71.01361	1.6
71.04999	8.5
73.02924	1.8
79.05499	54.5
79.05965	3.2
81.03425	100.0
81.07063	50.2
81.07443	1.0
82.03727	2.0
82.50688	1.2
83.04988	29.6
83.08624	20.6
85.02913	10.2
85.06552	5.1
87.04459	1.9
89.03928	3.2
91.05486	73.8
92.05809	2.2
93.07056	42.6
95.04974	38.6
95.08611	17.8
97.02908	12.2
97.06525	5.4
97.10181	5.3
99.04443	4.6
99.08141	2.9
103.05486	2.7
105.03432	1.8
105.07035	43.0
105.96818	1.4
106.07355	2.2
107.04967	20.0
107.08607	16.9
109.02892	7.8
109.06541	10.3
109.10176	9.2
111.04420	8.7
111.08086	8.6
115.05457	4.7
116.06220	1.7
117.03384	3.9
117.07024	12.2
119.04899	2.4
119.08582	33.0
121.06538	7.4
121.10133	11.7
123.04474	3.1
123.08048	3.9
123.11683	3.4
125.09668	4.4
127.03924	4.2
128.06255	4.0
129.05499	3.3
129.07002	22.1
131.05023	2.6
131.08577	22.5
133.02826	2.2
133.06499	5.5
133.10144	29.1
135.04396	8.4
135.08055	2.7
135.11693	6.5
137.05891	2.6
137.09682	3.5
141.06995	3.2
142.07811	5.6
143.08585	3.4
145.02869	4.8
145.06505	3.6
145.10152	10.0
147.04391	1.9
147.08051	6.7
147.11699	23.4
149.06001	2.3
149.09596	8.7
151.07600	1.7
153.12750	2.0
155.08559	3.0
157.06538	2.7
157.10156	23.7
159.04391	2.7
159.08040	2.5
159.11694	2.2
161.02374	4.4
161.05984	2.1
161.09659	2.5
163.03922	42.2
163.11197	12.0
165.12761	3.6
167.08585	2.1
171.11752	2.0
173.02386	5.4
173.04547	1.8
173.06000	3.0
175.11221	19.1
176.11978	4.6
177.12727	3.1
181.12265	4.1
185.06007	2.5
187.03969	7.0
187.07489	1.6
189.05461	2.4
191.10597	3.1
193.12260	45.1
197.06071	1.9
199.03932	6.5
199.07632	2.0
201.05496	2.0
209.11722	2.4
211.13286	24.9
213.05499	10.0
225.05472	5.6
227.07005	2.8
227.12753	4.8
231.06535	4.5
239.07080	3.4
243.06615	2.2
243.09065	1.6
249.14874	3.2
258.86636	1.5
267.15945	76.6
268.16556	2.3
269.17535	2.3
273.14706	2.1
283.15555	3.1
285.17014	5.7
291.15985	1.7
301.14328	2.4
334.17456	1.7
337.14285	14.0
355.15521	5.7
411.18170	1.9
413.21909	1.7
429.19083	31.2
441.26761	1.5
459.27475	72.2
460.28159	7.2
468.22058	1.4
477.28503	15.6
495.29480	1.9
501.28738	1.7
547.26874	5.7
565.27930	3.1
567.29163	2.2
585.30023	2.0
603.29462	8.5
621.31812	33.1
622.31921	2.9
639.31622	35.2
640.31458	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	639.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01863	6.9
55.05510	18.6
57.03435	10.4
57.07066	2.5
61.02891	1.7
65.03916	2.0
67.05509	37.6
69.03428	16.8
69.07063	11.6
69.65984	10.8
70.06586	1.9
71.04993	7.0
72.08136	2.2
74.19278	1.6
79.05489	30.5
81.03416	100.0
81.07059	39.9
83.04980	24.6
83.08615	20.3
84.04498	1.8
84.08139	1.6
85.02898	24.1
85.06541	3.5
86.09712	2.4
91.05476	42.3
93.07036	27.4
93.85178	1.7
95.04968	33.1
95.08609	20.1
97.02901	14.7
97.06547	8.3
97.10164	9.3
98.21495	2.1
99.04449	5.1
99.08121	1.9
103.05461	2.1
105.07033	30.6
107.04942	10.8
107.08601	16.0
109.02887	13.8
109.06534	6.2
109.10146	12.9
111.04440	10.5
111.08061	8.7
113.05975	4.0
115.05460	2.3
117.06995	5.7
119.04941	1.9
119.08580	24.3
121.02862	1.8
121.06519	8.0
121.10138	17.0
122.09682	2.5
123.04437	6.4
123.08054	4.4
123.11718	4.2
125.05993	3.1
125.09629	6.8
127.03905	10.7
128.06169	2.5
129.05489	2.9
129.07007	11.8
131.04890	2.6
131.08568	17.7
133.06459	4.8
133.10124	12.8
135.08037	5.1
135.11679	5.7
137.05989	3.8
137.09657	3.5
141.06943	3.2
142.07793	4.5
143.08588	4.6
145.06514	5.1
145.10147	9.8
147.04453	3.3
147.08017	7.1
147.11687	17.3
149.06000	2.4
149.09583	10.5
149.13242	2.4
151.07492	3.1
151.11198	2.6
153.09036	2.7
153.12672	2.0
157.06508	3.4
157.10117	14.2
159.04401	2.5
159.08035	2.9
159.11687	4.5
161.09581	3.5
163.03914	5.8
163.11235	8.6
165.09123	6.4
165.12770	3.8
169.10213	2.6
171.08009	2.0
171.11732	2.0
173.02333	2.6
173.04527	4.4
173.05991	3.4
173.09669	2.9
175.11220	8.1
181.12276	3.0
183.11600	1.7
187.03902	2.2
189.09068	1.9
189.12692	2.5
190.08739	1.8
191.10524	3.7
193.10434	2.4
193.12231	36.0
194.12564	2.6
199.04054	2.0
209.11696	1.7
211.13290	45.5
217.12207	2.4
227.12738	5.4
235.13281	5.5
249.14951	2.3
255.13898	2.0
257.04459	5.1
259.13272	1.8
267.13556	2.8
267.15942	26.8
273.14828	3.9
285.10229	2.7
285.17081	12.3
286.04651	3.2
287.05453	8.6
289.14438	3.1
293.42462	2.0
301.14310	5.6
309.16806	2.3
311.12827	2.4
319.15408	3.2
337.16635	3.0
341.95850	1.6
355.15207	3.6
367.22733	3.5
375.17828	4.0
383.11301	27.2
384.11639	3.0
385.23788	4.0
393.18674	1.9
411.19983	6.4
429.19452	6.9
459.27420	16.8
475.26364	2.0
477.28354	18.5
495.29526	10.5
501.28592	2.5
519.29346	1.9
543.29510	2.9
559.14374	2.9
561.30450	1.9
573.30804	2.6
585.30389	4.4
603.31500	5.9
621.32465	18.9
639.33496	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	639.2812
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03940	0.7
55.01868	1.0
55.05505	2.4
57.03406	0.8
67.05516	4.0
69.07060	2.4
71.60063	0.6
79.05486	4.1
81.03427	0.7
81.07080	5.0
81.07491	1.0
83.04990	1.0
83.08623	0.7
91.05484	4.5
93.07042	3.2
95.04986	1.5
95.08615	2.2
97.06533	1.8
97.10172	1.1
105.07032	3.5
107.04919	1.4
107.08617	2.1
109.06562	1.1
109.10149	1.4
117.07024	1.9
119.08583	2.9
121.10148	1.2
125.09594	0.9
129.07031	0.9
131.08594	1.8
133.10164	2.3
135.08098	0.7
135.11652	0.7
138.26878	0.7
145.10120	1.4
147.08054	0.7
147.11708	1.4
155.08513	0.7
157.10124	0.8
159.11697	1.5
161.13287	0.6
165.99173	0.7
166.05673	0.6
169.59492	0.5
175.11241	0.8
239.11752	0.6
245.64790	0.6
251.11896	0.6
273.18680	0.9
275.20151	2.6
287.16370	0.6
291.19675	2.5
347.22159	0.9
393.17047	0.9
403.19498	0.8
405.17310	1.0
406.18033	0.6
407.18652	2.1
419.19180	1.1
420.19943	1.1
421.20386	6.4
422.21030	1.2
433.20505	1.5
434.17599	2.1
435.17529	1.6
435.22922	1.0
436.22528	3.1
447.22278	1.2
448.19107	2.2
449.19574	8.6
450.20428	1.9
459.17905	1.0
461.19443	1.4
463.21603	3.3
464.22107	5.2
465.22995	0.7
475.21466	1.8
477.18857	5.0
478.19922	2.1
491.20551	0.9
493.22430	1.4
505.22220	0.9
507.23987	1.3
509.23477	0.6
523.23608	2.4
527.36511	0.9
533.22327	1.1
535.23981	3.0
536.24194	1.7
537.21338	1.1
550.25635	1.6
551.27185	3.2
561.25452	3.7
564.23639	4.0
565.24457	1.9
567.25787	0.9
579.26001	6.4
595.25616	2.5
596.26178	1.1
607.25171	1.1
621.27173	4.1
621.41595	1.3
624.25714	5.5
639.28137	100.0
639.42322	6.4
640.28308	8.1
643.16638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.2811
Annotation	Cryptophycin 46
Peak:m/z	Relative Intensity
53.03945	1.5
55.05512	2.8
55.93016	1.1
57.03440	1.9
63.84936	1.1
65.03952	1.3
66.92899	1.0
67.05501	7.3
67.32993	1.0
69.07065	2.1
71.59258	1.3
79.05496	6.8
81.03429	1.4
81.07048	6.3
83.05006	1.3
83.08641	1.6
91.05517	6.4
91.23671	1.0
93.07046	7.2
95.05014	1.6
95.08623	3.7
98.33096	1.0
105.07040	5.0
107.08619	4.8
107.66106	1.2
108.08146	1.3
109.06536	1.2
109.10151	2.0
117.07003	3.4
117.39319	1.0
119.08575	3.2
120.04415	1.3
120.08117	5.1
121.06551	1.1
121.10186	1.1
129.07031	1.9
131.08588	4.1
133.10152	2.6
135.08130	1.3
143.08533	1.7
144.04526	1.9
145.10123	2.2
146.06013	1.8
148.07587	1.5
150.09175	1.9
157.10080	1.7
159.11705	1.6
171.11702	1.3
172.03996	4.4
190.05002	2.1
204.06519	7.3
211.08679	2.3
223.08583	1.8
225.10156	5.4
227.11913	4.8
235.08762	1.6
237.10297	1.9
239.11821	1.4
248.09590	1.4
249.10327	4.1
250.11008	1.1
251.11844	3.7
253.09866	2.1
261.10303	1.3
263.08145	1.6
265.09726	1.5
275.20441	1.7
277.09729	1.7
279.11316	2.2
281.12918	1.7
285.12497	3.1
291.19693	2.1
301.12164	1.4
301.15500	1.7
309.12482	2.0
311.14133	1.7
312.32260	1.3
314.12924	2.7
316.40167	1.0
327.13684	2.8
328.14499	2.5
337.11728	1.1
338.12787	1.6
339.13770	3.3
340.14584	2.5
342.12396	5.0
342.16171	2.7
354.12323	2.6
354.16144	1.2
355.13000	1.6
356.13943	4.7
356.17804	2.4
357.14920	2.2
359.07809	1.3
367.13055	1.3
368.14151	2.6
369.15231	1.7
370.15509	5.2
382.11606	1.7
382.15979	2.1
383.16180	2.7
384.17200	3.5
385.18262	1.5
386.15030	1.5
410.14975	2.2
412.16675	2.0
418.18286	1.6
419.14935	2.3
420.15701	1.5
426.18161	3.5
434.17361	1.3
435.18207	1.9
442.17532	1.5
444.19174	11.1
449.19922	3.5
452.15988	1.5
463.17255	1.9
470.17365	2.9
492.21597	1.5
504.21555	2.6
541.35406	1.3
551.26495	11.0
579.26160	14.1
607.25543	7.9
611.28601	46.7
612.28741	1.6
621.27026	1.4
621.41510	2.9
639.28156	100.0
639.43268	5.4
640.28479	3.9
658.40820	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	637.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	10.1
55.01865	17.6
55.05514	33.8
57.03422	16.0
59.05016	6.7
67.05505	67.2
69.03414	22.3
69.07072	13.4
71.04989	11.8
71.60219	10.1
76.62085	5.3
79.05492	73.2
81.03424	100.0
81.07065	53.3
83.04974	39.9
83.08622	19.2
85.02930	14.0
85.06580	5.4
91.04960	7.7
91.05484	78.7
93.07054	65.4
95.04974	33.4
95.08604	29.2
97.02884	23.9
97.06557	11.5
97.10149	7.2
99.04430	11.9
105.07016	50.9
107.04964	38.2
107.08595	28.7
109.02862	22.5
109.06506	15.9
109.10151	13.2
111.04447	18.9
111.08083	7.9
115.05402	8.1
117.07011	24.4
119.08618	35.5
120.97795	6.3
121.06498	13.0
121.10164	21.7
123.07994	7.2
127.03909	17.9
129.06998	21.3
131.08563	18.3
131.45726	5.6
133.10138	34.0
135.11716	21.1
143.08545	7.5
145.06456	10.3
145.10126	22.4
147.08032	8.1
147.11694	20.6
149.09541	6.6
150.46204	5.3
153.12726	9.0
157.10120	17.0
162.02756	6.7
163.11191	32.8
169.10117	5.8
171.08191	6.4
171.11713	5.4
173.04477	8.2
173.09645	9.6
175.11159	15.4
181.12201	12.4
191.10712	13.6
193.12276	20.7
209.11775	9.9
211.13258	6.3
227.12747	16.6
240.21492	6.6
265.14233	9.5
267.15979	43.9
283.15402	35.7
353.16110	9.7
357.92303	7.2
386.11069	7.0
411.20160	7.1
427.19641	16.2
457.25879	21.8
475.26703	44.0
493.27664	6.6
601.29474	6.0
619.30914	49.4
625.81238	6.1
637.31824	36.2
648.68726	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	637.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
55.01876	3.1
55.05504	5.0
57.03431	14.6
57.07077	24.9
61.02927	49.7
67.05499	10.4
69.03431	23.1
69.07055	5.8
70.88283	1.5
71.01362	1.8
71.04987	2.9
71.08636	15.8
71.59848	1.5
71.60290	2.5
73.02921	16.2
77.15592	1.2
79.05475	4.6
79.72660	1.4
81.03419	16.9
81.07064	15.7
83.04998	2.4
83.08619	8.5
85.02907	62.4
85.06563	1.2
85.10185	11.0
87.04475	2.7
91.03404	2.5
91.03956	35.7
91.05476	5.4
93.07027	3.1
95.04984	4.1
95.08611	17.0
97.02893	55.2
97.10168	5.6
99.04465	8.3
101.02390	6.7
103.03947	7.0
105.07038	1.9
107.08605	2.7
109.02903	9.9
109.10181	7.9
111.04424	2.2
115.03943	4.2
117.07009	1.5
119.08607	1.4
123.11674	3.8
127.03917	22.0
129.05484	3.1
133.62106	1.5
145.04955	16.7
149.02383	2.7
159.06563	1.7
162.03142	2.4
163.06013	4.2
183.06526	9.0
201.07567	7.9
206.05753	3.3
207.02901	1.4
212.02348	1.3
219.08669	2.5
239.23689	17.4
257.24786	3.5
313.27365	100.0
314.27863	1.5
341.26819	4.1
342.43042	1.7
348.67783	2.0
349.16953	2.7
355.28448	4.5
369.68115	1.7
383.27863	2.1
397.29205	1.9
439.30594	3.3
457.31512	17.4
475.32382	2.7
596.10431	7.6
596.60883	2.3
597.10547	1.7
637.38483	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	637.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15356	1.0
53.03947	6.1
55.01872	10.3
55.05262	1.9
55.05513	26.4
57.03445	9.2
57.07084	1.1
59.04996	2.0
61.02929	10.6
64.56324	0.9
65.03947	2.5
67.05504	31.5
69.03432	13.5
69.07071	9.4
69.87941	5.7
71.01329	1.1
71.04991	4.8
71.08656	0.9
73.02914	3.9
79.05495	34.8
81.03419	47.4
81.07059	32.6
83.01337	2.3
83.04976	16.0
83.08619	11.8
85.02902	19.0
85.03371	1.8
85.06538	1.5
87.04449	0.9
91.03963	3.8
91.05482	27.5
93.07044	23.8
95.01356	1.7
95.04974	22.2
95.08614	19.3
97.02900	14.0
97.06545	6.0
97.10167	19.0
99.04462	4.1
103.03936	1.2
103.05505	1.5
105.03402	1.7
105.04544	1.6
105.07038	19.7
105.07690	2.0
106.75879	0.9
107.04956	15.8
107.08594	20.6
109.02871	11.5
109.06532	5.1
109.10155	12.2
111.04451	8.7
111.08090	4.3
115.05469	3.0
117.07010	13.0
119.04978	3.3
119.08578	12.0
121.02898	1.5
121.06495	8.7
121.10159	7.6
123.04437	6.5
123.08083	6.6
123.11696	1.4
123.73553	1.0
125.09627	12.8
127.03928	5.7
128.06242	3.0
129.05518	2.2
129.07010	11.1
129.81952	0.9
131.04955	4.6
131.08578	10.1
133.06500	6.9
133.10110	8.4
135.04425	3.8
135.08070	6.1
135.11685	7.6
137.02235	1.2
137.05997	2.9
137.09587	1.9
141.06975	2.8
142.07764	1.7
143.08537	5.8
145.06487	9.4
145.10118	12.1
147.04413	4.3
147.08075	7.3
147.11716	6.2
149.05992	2.7
149.09628	3.7
150.48950	1.0
153.09152	2.4
153.12718	2.8
155.08568	4.4
157.06519	4.1
157.10144	4.9
159.04344	1.3
159.08069	4.3
159.11717	3.1
160.05232	1.8
161.05965	10.5
161.09628	3.7
161.13235	1.5
163.03941	1.4
163.07520	2.0
163.11172	13.0
165.12729	1.5
167.08600	2.4
169.06465	1.6
169.10121	2.1
171.04471	1.0
171.08069	4.6
171.11650	1.9
173.04466	6.2
173.06017	3.8
173.09631	6.0
173.11801	1.9
173.13249	1.3
175.07590	3.6
175.11214	4.8
177.09169	1.4
177.12654	1.0
181.06441	1.4
181.10184	2.2
181.12247	5.2
183.08061	3.5
183.11728	1.8
185.05980	2.0
185.09604	3.0
185.13348	2.0
187.07538	3.3
187.11230	2.6
189.05508	1.8
189.09137	3.7
189.11252	5.3
189.12694	1.3
191.10706	5.2
191.35243	1.0
193.12238	9.8
195.08101	1.6
195.11717	2.5
197.09631	3.3
199.11229	1.8
200.90500	1.2
201.09106	1.7
201.12837	1.3
203.10526	1.2
203.14296	1.8
205.12288	3.0
209.09760	1.2
209.11662	3.5
211.07607	1.9
211.11142	2.8
211.13306	7.8
213.05365	1.5
213.09288	1.0
213.12743	2.5
214.81914	1.0
215.10649	1.2
215.14258	1.1
227.12677	12.0
229.12230	1.9
229.14259	2.0
230.14693	1.2
231.13828	4.0
235.13303	3.4
243.13806	3.5
247.13321	1.5
249.15012	2.2
253.11998	1.2
259.13419	3.0
261.14838	1.7
265.14426	1.4
267.15927	4.8
269.15359	3.1
271.13403	5.4
271.16122	1.0
273.14832	8.2
283.15491	8.1
287.16379	2.1
289.14371	12.2
299.16241	1.5
301.14163	5.0
303.16055	1.8
311.15784	1.3
319.15582	2.0
327.15985	1.4
337.21631	3.0
347.19897	1.3
355.22614	4.5
365.21078	5.6
367.22675	1.2
373.23874	1.2
375.18118	2.1
383.22165	29.4
393.19208	1.2
401.23236	9.1
407.22220	2.7
409.18686	1.9
411.20163	1.9
419.24197	3.2
421.25400	2.2
425.22906	1.2
431.24136	3.0
439.25305	3.1
440.27548	5.1
457.25906	40.2
473.23785	1.5
475.26932	100.0
476.27032	1.4
481.26251	1.4
491.24545	1.8
493.28003	2.1
499.27127	4.6
509.25616	1.8
517.27917	7.1
541.28168	2.3
545.26721	1.4
553.28418	2.4
559.28925	1.5
565.27832	2.6
583.28754	5.5
601.30072	8.0
619.30914	11.3
637.32086	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	10.3
55.01870	11.6
55.05508	32.6
57.03436	10.8
59.04999	3.7
61.02914	5.1
65.03931	1.8
67.05502	52.2
68.05837	1.8
69.03429	23.8
69.07060	12.5
69.28644	16.4
71.01357	3.0
71.04983	11.3
73.02913	3.8
79.05488	42.0
81.03416	100.0
81.07054	50.1
83.01347	4.1
83.04976	25.9
83.08611	22.8
85.02903	22.5
85.06567	3.6
86.09737	1.6
87.04476	2.4
91.03957	2.3
91.05476	43.4
93.07039	37.3
95.04967	36.1
95.08598	18.8
97.02889	24.5
97.06530	11.2
97.10181	13.2
99.04443	9.5
99.08105	1.8
101.06021	1.5
103.03973	1.5
105.07025	30.7
107.04955	19.2
107.08585	25.0
109.02878	22.4
109.06505	9.0
109.10149	26.3
111.04420	15.9
111.08073	10.8
111.11771	1.8
115.05456	3.1
117.07011	14.4
119.04929	3.1
119.08580	24.3
121.02918	2.0
121.06463	10.1
121.10126	12.7
122.09687	1.8
122.10541	2.3
123.04429	4.2
123.08056	9.8
123.11713	6.4
125.06042	2.0
125.09635	11.1
127.03915	15.6
128.06198	2.6
129.05507	3.3
129.07016	13.0
131.04922	3.1
131.08551	15.1
133.06480	5.6
133.10124	20.9
135.04448	2.3
135.08054	5.7
135.11682	16.3
137.05997	3.6
137.09602	3.4
142.07823	2.2
143.08556	4.1
145.05124	1.7
145.06497	7.6
145.10101	17.5
147.04422	5.1
147.08058	6.2
147.11697	13.3
149.05984	3.1
149.09613	7.1
149.13310	2.6
151.11183	5.5
153.12741	5.8
155.08551	3.0
157.06512	3.4
157.10146	11.8
159.04376	1.6
159.08029	3.6
159.11656	2.7
161.05974	4.2
161.09645	2.7
162.25024	1.6
163.11176	23.1
165.05562	1.5
165.09132	1.9
165.12746	4.7
169.94186	1.7
171.08072	3.5
171.11627	2.8
173.04456	4.3
173.09628	4.0
175.07622	2.1
175.11206	11.3
177.12817	2.1
181.06473	1.7
181.12244	8.2
187.07478	1.7
187.11238	1.9
189.09128	9.4
189.11217	6.3
191.09126	1.4
191.10641	8.6
193.12230	23.0
194.12646	2.1
203.10788	1.7
205.12225	8.1
209.11713	8.7
211.11340	2.6
211.13289	35.0
217.12314	1.9
223.13226	1.7
225.62183	1.4
227.12704	17.9
229.14404	5.2
229.46198	1.5
230.14673	1.6
231.13789	3.8
235.13263	1.9
238.96696	1.4
240.52634	1.5
253.14333	3.6
259.13339	1.9
265.14490	3.3
267.09293	1.8
267.15912	11.0
273.14914	4.9
277.08429	1.8
283.15472	15.6
285.10107	3.6
285.16974	5.2
289.14441	4.7
301.14423	2.3
319.15369	2.9
321.17929	1.9
337.16455	3.4
353.15973	3.1
355.17630	3.6
355.22601	2.9
365.21292	2.0
373.16824	3.3
375.18106	3.8
383.11288	2.4
383.22174	13.5
401.23312	7.1
409.18597	2.9
411.20282	4.9
427.19647	2.7
439.26147	2.1
440.27121	7.3
457.25793	32.0
475.26871	66.0
493.28085	11.8
499.26962	3.8
517.27911	4.1
563.28534	2.8
583.29242	3.1
601.30164	4.8
619.31305	15.6
637.32141	86.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16268	0.1
53.11957	0.1
54.48979	0.1
55.01878	1.6
63.29530	0.1
64.58438	0.1
67.05502	0.2
69.03408	0.1
69.07069	1.1
69.33333	1.0
70.06580	0.4
73.02924	0.1
84.08138	1.2
85.02934	0.1
86.06061	0.2
86.09676	0.1
86.73215	0.1
91.05484	0.2
94.06557	0.3
95.04980	0.2
96.04465	0.2
97.06513	0.2
97.49091	0.1
108.04472	0.4
108.08167	0.1
112.07593	0.4
116.10756	0.2
120.04410	0.1
120.08096	0.4
122.06019	0.4
123.04451	0.1
133.10239	0.1
136.07568	0.6
137.05983	0.2
138.09074	0.2
140.07077	2.2
141.05438	0.2
145.10147	0.1
146.06015	0.2
147.06779	0.2
148.07573	2.9
148.98927	0.1
149.07996	0.1
150.05452	0.1
150.09126	0.1
160.07565	0.3
164.07089	0.3
168.06580	2.6
168.07953	0.1
170.09642	0.3
172.07661	0.1
173.07150	0.3
174.05513	0.5
174.09181	0.2
182.08211	0.1
185.10745	0.1
187.08615	0.2
196.11334	0.2
197.10754	0.1
198.09177	0.8
198.12881	0.1
199.08646	2.5
199.12285	0.3
200.09222	0.2
200.10857	0.1
201.10269	0.2
202.08679	0.1
203.09387	0.3
210.09143	0.3
211.08437	0.1
211.12274	0.1
212.09470	0.3
213.10170	0.8
214.10956	0.6
215.11823	1.3
216.10286	0.1
224.10823	0.5
225.10190	3.0
226.08833	0.8
226.10934	0.3
227.08218	1.2
227.11760	2.2
228.10371	0.1
228.12386	0.1
229.09749	0.2
229.13354	0.1
238.08708	0.2
239.11751	0.2
240.08849	0.1
241.09669	0.6
241.13377	0.9
242.10382	0.8
243.11322	1.3
243.13858	0.1
243.14691	0.1
251.11810	0.3
252.10237	0.6
252.12437	0.1
253.13417	0.2
254.11655	0.2
255.11275	11.9
256.11804	0.5
257.12711	0.2
259.10757	0.1
259.14252	0.2
267.11359	0.1
269.12854	4.0
270.11172	0.2
271.14340	0.1
273.12479	0.1
279.11292	0.2
285.12390	0.2
287.13849	1.1
297.12323	4.6
298.10330	0.1
298.13147	0.2
299.13791	0.9
300.11008	0.1
303.13345	0.2
305.14911	1.1
315.13364	100.0
316.13776	4.0
317.15036	0.5
361.24384	0.1
371.29172	0.2
389.29871	0.6
450.53058	0.1
475.66245	0.1
601.25989	0.3
619.27850	1.0
637.28015	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50692	1.0
54.42298	1.0
55.05505	2.6
57.07055	3.1
66.65212	1.1
67.05486	4.6
69.07065	2.1
69.53593	3.3
69.54021	4.4
71.08614	2.5
79.05475	2.0
81.03439	1.6
81.07048	2.3
83.08624	1.2
85.02910	1.0
91.05485	2.3
93.07056	2.1
95.08593	2.8
97.06549	1.6
97.10172	1.1
107.08566	1.7
109.10169	1.5
121.10116	1.3
163.11191	1.6
209.11810	1.4
209.23990	1.2
385.14917	1.2
387.16321	1.1
391.19077	1.9
392.19925	1.3
393.20459	2.1
399.15561	2.2
400.16644	1.9
401.17523	2.3
407.22342	3.5
413.17764	3.2
414.18378	4.3
415.19351	9.3
417.20691	1.5
421.20367	3.3
427.19315	1.8
428.19733	3.3
429.21002	9.5
430.21506	3.0
442.17548	2.6
443.18005	3.4
443.22433	3.9
444.19336	4.2
445.20285	2.5
457.20157	4.7
458.21042	4.9
461.19476	1.6
471.22446	6.7
472.22510	4.3
473.19800	3.4
485.19901	2.4
486.20667	7.1
487.21368	2.5
488.22144	2.4
490.19989	2.6
499.21338	12.4
500.22266	2.7
503.23932	3.8
513.18774	1.7
514.19696	1.5
517.22241	4.2
527.20441	3.2
531.23889	16.0
539.39496	4.9
543.23993	1.6
549.25037	1.9
559.23413	84.8
587.22937	15.7
619.25488	100.0
620.25378	1.8
637.26575	17.5
637.42297	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	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07004	0.4
50.52326	0.3
53.03937	0.9
55.01870	0.8
55.05516	2.7
57.03431	1.2
57.07059	0.5
60.04510	0.6
61.02916	1.0
62.06089	1.1
67.05505	5.4
68.04995	0.4
69.03426	4.2
69.06715	0.7
69.07069	9.4
70.06593	2.1
70.76827	0.4
70.77168	0.9
71.04988	1.3
72.08155	2.2
73.02916	0.9
73.06552	0.9
79.05488	3.8
81.03416	1.5
81.05795	0.4
81.07057	5.5
82.06595	0.6
83.04980	0.6
83.08627	0.7
84.08144	1.5
85.02911	5.3
85.06561	0.8
86.06068	22.6
86.09708	0.9
87.04468	1.1
91.05488	3.1
93.07038	4.3
94.06561	1.1
95.04961	1.0
95.08609	3.7
96.08131	4.6
97.02898	2.7
97.06534	2.9
97.10172	0.4
98.06056	1.4
98.09698	6.1
99.04435	1.0
99.08113	0.4
100.07649	0.4
105.07029	1.6
107.07436	0.4
107.08601	2.6
108.08110	3.7
109.02879	1.1
109.06477	0.6
109.10155	1.1
110.09669	0.7
112.07628	0.5
113.08315	0.4
114.09173	1.2
115.03933	0.4
115.07556	3.2
115.72454	0.4
116.10732	50.6
117.07095	0.4
119.08582	1.9
120.08112	1.4
121.08936	0.4
121.10144	2.0
122.06018	0.8
122.09666	3.4
123.08018	0.4
123.11676	0.4
124.07608	1.8
126.09127	0.7
127.03917	1.6
128.06172	0.3
133.10155	1.1
135.04367	0.4
135.08110	0.4
135.11690	4.8
136.07581	1.5
136.11212	0.9
137.06018	0.4
137.09579	0.8
138.09142	1.6
139.11157	0.3
140.10730	1.1
142.08653	4.7
145.05000	0.5
145.10081	2.0
146.06015	0.5
146.09662	0.7
147.11635	0.6
150.09126	0.5
153.12770	0.6
154.08565	0.7
154.12292	0.5
158.11661	0.4
159.11674	0.5
163.11182	1.3
164.07045	2.4
167.07054	0.4
173.09686	0.8
174.09135	0.7
179.68468	0.4
181.09830	0.4
181.12262	1.6
199.13316	1.4
202.07281	0.8
203.08043	0.8
212.16449	16.6
217.09760	1.4
217.14273	0.6
220.09796	0.6
224.31787	0.4
225.14816	0.4
226.18030	1.1
227.12927	0.5
227.16394	0.7
229.06180	0.6
230.17505	4.1
235.10832	0.5
236.20021	0.6
238.21910	0.6
244.88235	0.4
245.09232	1.1
248.09105	0.4
248.20071	0.5
250.21776	0.8
254.21033	0.4
257.09305	0.9
258.09650	0.5
259.10828	0.4
261.08707	5.8
262.09048	3.3
262.21716	0.5
263.10245	1.1
266.21222	2.1
278.15979	1.1
280.22757	1.6
284.22177	2.7
285.08951	0.8
285.12326	0.6
286.09119	0.5
287.10333	1.0
288.18106	2.7
296.22266	1.4
298.23758	5.4
301.11914	1.0
305.11340	1.6
313.08215	0.7
314.08331	0.5
314.23270	3.7
315.09949	0.4
315.13461	0.7
331.09164	0.6
332.09720	0.4
342.22693	4.3
360.23807	100.0
361.24130	2.7
374.21713	7.1
392.22760	4.4
398.17212	1.2
399.17523	1.4
406.17529	1.0
407.18152	0.6
426.20068	0.8
435.17221	0.5
444.21274	1.1
452.18188	1.1
455.19656	0.4
456.29657	3.8
468.17673	0.6
469.18146	1.1
470.19095	1.3
474.30621	8.1
481.18085	1.8
522.29114	27.9
523.29297	0.6
589.26782	1.9
590.26569	1.5
591.24664	0.5
607.27307	1.6
618.26105	4.9
618.34979	3.2
619.26831	1.3
636.27063	0.9
636.36206	5.0
637.27844	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05515	3.6
56.96556	0.4
57.03432	1.4
57.07060	0.4
59.04990	0.4
60.04520	0.4
61.02917	1.1
62.06076	1.0
65.86572	0.3
67.05505	5.7
69.03429	4.8
69.07067	10.8
69.48285	0.4
70.06595	2.7
70.07433	0.3
71.04984	1.5
71.06331	0.3
71.07374	0.7
71.59443	0.5
72.08157	3.4
73.02911	1.2
73.06556	1.0
74.60063	0.4
79.05495	5.8
80.05025	0.3
81.03425	2.2
81.07061	6.5
82.06578	0.6
83.04980	1.8
83.08607	0.9
84.04517	1.1
84.08147	1.6
85.02908	6.8
85.06545	1.0
86.06072	25.2
86.09710	1.3
87.04462	1.1
91.03932	0.4
91.05482	2.7
93.07043	4.9
94.06577	0.9
95.04967	1.7
95.08611	3.6
96.08141	5.8
97.02898	3.5
97.06530	4.1
97.10211	0.6
98.06054	1.4
98.09697	7.8
99.04436	0.8
100.07609	0.4
105.07027	2.1
107.04958	0.9
107.07388	0.4
107.08592	3.2
108.08136	3.6
109.02900	1.0
109.06516	1.0
109.10164	1.6
110.09696	0.9
111.08069	0.6
112.07587	0.4
114.09171	1.2
115.07572	4.0
116.10737	58.4
117.06999	0.8
117.11050	0.7
119.08564	1.9
120.08105	1.7
121.08869	0.4
121.10143	2.8
122.06033	0.7
122.09687	3.6
123.08085	0.8
123.11700	0.6
124.07589	2.2
126.09150	0.9
127.03908	1.8
130.05141	0.3
131.08556	0.6
133.10144	1.5
134.09636	0.6
135.03197	0.3
135.08083	0.5
135.11696	5.4
136.07596	1.5
136.11223	0.8
137.05948	0.5
137.09634	0.7
138.09142	2.0
139.11143	0.5
140.10690	1.5
141.09093	0.7
142.08650	6.6
145.04941	0.6
145.10159	2.4
148.11101	0.3
151.11186	0.4
154.08620	0.5
154.12292	0.5
157.10042	0.4
159.11578	0.4
163.11172	1.8
164.07097	1.6
165.09158	0.6
174.09108	0.4
176.10719	0.4
181.12186	2.2
194.15411	0.5
199.13304	1.8
202.08813	0.5
203.08125	0.7
209.11818	0.5
212.16464	20.6
213.10196	0.7
213.16742	0.6
217.09760	1.1
217.14337	0.4
218.10080	0.4
220.09773	1.0
224.20151	0.4
226.18025	1.2
227.12776	0.4
227.16414	1.0
230.17503	3.8
234.18478	0.5
235.10925	0.4
236.20126	1.0
238.21686	0.7
242.17424	0.4
243.15985	0.4
245.09367	0.7
248.20145	1.1
250.21718	1.5
254.21249	0.7
257.09271	1.0
261.08707	5.0
262.09018	2.8
262.21762	0.8
263.10049	0.7
266.21152	2.1
268.22684	0.4
278.16046	1.5
278.21088	0.6
280.22748	2.3
284.22198	3.2
285.08829	0.5
286.09103	0.6
287.10236	0.7
288.18091	2.2
289.16400	0.5
296.22147	2.1
298.23801	6.3
300.21936	0.6
305.11298	0.8
313.08344	0.7
314.23242	3.7
324.21884	0.4
331.09393	0.6
331.13162	0.4
332.09650	0.5
342.22791	3.8
358.22119	0.8
360.23816	100.0
361.24118	3.9
374.21738	7.8
392.22821	4.6
398.17157	0.5
399.17410	1.2
406.17468	0.6
407.17960	0.9
416.14575	0.6
434.16232	0.5
437.19009	0.6
444.20816	0.7
452.18143	1.1
456.29492	4.4
468.17648	0.5
470.19479	0.5
474.30661	8.1
480.17914	0.4
481.17969	1.5
522.29114	24.9
523.29474	1.6
568.98730	0.4
589.26373	1.5
591.24902	0.9
600.24432	0.5
607.27203	1.2
618.25958	4.0
618.34851	4.4
619.26416	1.5
636.26746	0.8
636.36078	5.9
637.27350	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
55.01860	2.1
55.05256	0.8
55.05508	10.2
57.03438	11.7
59.04999	3.2
61.02921	4.4
65.03935	1.3
67.05503	60.7
68.05856	0.6
69.03424	3.6
69.07067	5.1
71.05000	4.4
71.34608	1.1
73.02908	1.7
79.05057	0.8
79.05492	11.8
81.03416	36.7
81.07051	20.6
82.03755	0.5
83.04981	9.4
83.08616	15.2
85.02905	16.3
85.06562	3.5
87.04495	0.6
91.03973	2.3
91.05480	18.0
92.05783	0.5
93.07047	11.5
95.04967	14.0
95.08607	8.2
97.02894	4.9
97.06528	2.9
97.10156	3.3
99.04460	1.2
99.08102	0.7
103.03950	0.6
105.04494	0.5
105.07029	10.9
107.04958	4.4
107.08594	4.4
107.16219	0.5
109.02882	1.0
109.06493	2.6
109.10154	54.3
110.10580	0.5
111.04445	3.1
111.08086	7.4
113.05971	1.1
115.05431	1.0
117.06999	1.7
119.02839	0.4
119.04953	0.5
119.08578	14.3
121.06511	1.0
121.10136	5.0
123.04382	0.7
123.08064	1.6
123.11699	0.9
125.06016	0.6
125.09632	1.6
127.03883	1.7
129.06999	5.2
131.08566	6.4
133.06479	1.2
133.10127	6.1
135.04405	0.5
135.11674	0.9
137.09602	4.0
142.07796	1.4
145.10106	2.3
147.08037	1.6
147.11699	8.0
148.43495	0.4
149.09607	4.0
151.11157	0.6
153.12798	0.6
155.10648	1.9
157.10141	7.9
159.11749	0.5
163.11176	1.9
165.12743	2.2
173.11742	17.0
175.11186	8.1
181.12325	0.5
191.10669	0.6
193.12238	24.4
209.11578	0.6
211.13284	34.1
212.13640	0.6
227.12842	1.8
229.14349	58.7
230.14671	1.7
267.15918	13.4
285.10242	1.3
285.16953	28.5
286.17459	1.1
301.14240	0.7
357.15811	0.7
403.24759	1.0
421.25848	15.7
422.25824	0.8
439.26901	100.0
440.27298	4.5
457.25638	0.9
475.26855	1.6
493.28519	0.8
517.28528	0.6
583.30927	1.3
636.31049	0.6
637.32208	4.1
640.67438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3592
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.6
53.03940	1.9
53.67162	0.5
55.01873	2.2
55.05260	1.0
55.05507	9.6
56.96572	0.5
57.03151	0.6
57.03437	9.9
57.07068	0.8
59.05000	2.7
61.02938	3.2
65.03943	1.3
67.05505	54.1
68.05844	0.9
69.03425	5.5
69.07063	4.2
70.62155	0.9
70.62489	0.9
71.04982	3.6
73.02909	1.8
79.05492	13.3
80.05854	0.5
81.03419	37.5
81.07057	19.5
81.45042	0.4
83.01347	0.6
83.04987	8.4
83.08619	14.5
85.02911	13.5
85.03425	0.8
85.06552	2.8
91.03957	2.4
91.05482	17.1
93.07040	11.5
94.07405	0.5
95.04964	14.8
95.08611	9.4
96.02725	0.5
97.02897	5.8
97.06544	3.0
97.10159	2.3
98.20818	0.6
99.04456	1.1
99.08090	1.4
105.06377	1.0
105.07031	11.2
107.04956	5.5
107.08600	6.3
109.02870	2.1
109.06515	3.1
109.10156	52.1
110.10474	0.6
111.04413	2.5
111.08083	8.6
113.06007	1.5
115.05423	0.8
117.05618	0.5
117.07046	2.3
119.08584	14.4
121.06540	2.3
121.10147	6.1
123.04408	1.1
123.08098	1.7
123.11707	1.9
125.09622	1.7
127.03915	2.2
127.07587	0.5
129.05515	0.8
129.07013	5.9
131.08578	6.6
133.06499	1.8
133.10112	5.7
135.11676	2.7
137.09639	3.7
139.11177	0.5
142.07782	1.4
143.08551	0.8
145.06561	0.6
145.10167	3.1
147.08054	1.6
147.11679	8.0
149.02321	0.9
149.09616	3.0
153.12805	0.8
155.10704	2.9
157.10121	8.7
163.11188	4.8
165.12773	1.9
173.04485	0.7
173.05920	0.5
173.09550	0.9
173.10123	0.7
173.11736	15.4
175.11200	8.6
181.12268	1.0
191.10773	0.6
193.12247	25.5
194.12628	0.7
209.11717	1.2
211.13293	39.6
212.13725	0.8
227.12796	4.0
229.14352	57.5
230.14661	1.1
247.13370	0.5
249.15027	0.7
267.15942	13.9
268.16138	0.7
283.15530	0.9
285.10321	1.3
285.16971	31.4
286.17380	1.2
365.15631	0.8
393.19083	0.7
402.93982	0.5
403.24451	0.8
421.25845	14.3
439.26907	100.0
440.27426	4.3
457.25916	1.0
458.61044	0.5
475.26849	1.9
493.28052	0.6
583.31061	1.1
597.47833	0.5
619.30499	1.1
636.30566	1.5
637.32355	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	635.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69556	3.4
53.03936	11.6
55.01866	8.1
55.05509	24.9
57.03440	9.4
65.03928	4.6
67.05502	53.5
69.03419	19.2
69.07057	13.4
71.04999	9.8
71.60174	4.6
79.05059	6.3
79.05492	73.2
81.03417	100.0
81.07054	53.2
83.01376	2.8
83.04990	24.3
83.08615	18.3
85.02905	17.9
86.09702	4.7
91.05482	60.8
93.07048	56.7
95.04966	41.0
95.08597	27.4
97.02873	18.2
97.06517	8.7
97.10167	11.1
99.04429	6.5
101.02371	2.9
105.07032	44.7
107.04922	15.4
107.08562	20.4
109.02876	17.5
109.06514	11.7
109.10159	7.9
111.04449	10.5
111.08073	8.6
111.64054	3.1
115.05449	4.0
116.03481	3.0
116.08714	3.3
117.07031	13.3
117.66106	2.9
118.70026	2.8
119.08581	36.7
120.08109	9.0
121.06513	9.0
121.10143	14.1
123.04404	5.3
123.08051	8.3
123.11777	3.3
125.09626	5.6
127.03915	12.8
128.06242	3.7
129.07011	21.2
131.08557	16.2
133.06474	7.5
133.10139	18.6
135.08035	5.2
135.11737	5.2
137.09598	3.4
142.36967	2.8
143.08575	9.3
145.06491	5.7
145.10115	13.4
146.06087	3.3
147.08051	9.1
147.11667	26.8
149.09584	7.1
157.10155	8.8
159.11702	7.2
161.09650	4.6
161.13272	9.5
163.11227	10.0
165.12717	4.1
171.08011	4.5
171.11711	18.6
173.04469	7.3
175.11189	7.4
181.12279	4.0
185.13181	4.9
189.12750	9.4
191.10690	4.0
193.12233	25.1
199.14755	3.3
207.13792	21.5
211.13297	39.0
227.12761	5.3
249.15025	3.4
267.15970	12.7
273.14996	4.5
281.17450	14.8
301.14407	4.5
337.16153	4.2
355.17334	9.0
411.20087	8.2
444.38443	3.4
448.29404	3.0
473.29111	23.7
491.30087	8.0
544.68506	3.1
599.32324	5.0
617.33191	9.6
635.34137	87.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
53.00304	1.2
53.03953	10.3
55.01874	15.7
55.05263	1.4
55.05512	22.2
56.64409	0.8
57.03440	7.0
57.07068	1.7
59.04991	4.7
64.90439	0.8
65.03932	2.1
67.05505	30.3
69.03077	1.5
69.03431	23.1
69.07076	7.0
70.22428	1.3
70.22833	2.5
71.01341	2.9
71.05003	11.4
73.02908	1.6
75.46135	0.9
77.30193	1.0
79.05491	35.6
79.77758	1.0
80.77175	0.9
81.03419	94.9
81.07057	27.9
82.03757	1.6
83.01334	9.7
83.04978	28.7
83.08615	14.6
85.02901	12.3
85.06525	2.1
91.05481	25.7
92.73668	0.9
93.07043	39.2
95.04972	17.3
95.08608	16.5
95.66501	0.8
96.44147	0.8
97.02888	19.7
97.06550	9.1
97.10196	5.7
98.05686	0.8
99.00831	1.1
99.04469	10.7
103.05441	1.3
105.04553	1.0
105.07034	16.5
107.04954	17.0
107.08596	22.2
109.02874	22.5
109.06515	10.6
109.10152	7.4
111.04445	11.9
111.08071	4.0
115.05457	1.2
117.07029	14.0
119.08588	15.2
121.02859	1.1
121.06490	6.5
121.10130	12.8
122.10472	1.1
123.04455	2.3
123.08066	9.7
125.06007	3.1
125.09627	3.1
127.03918	18.2
129.06990	4.8
130.07816	3.3
131.04921	2.1
131.08572	7.1
133.06483	2.4
133.10115	5.7
135.04417	1.3
135.08060	4.7
135.11697	17.9
137.05980	1.2
137.09596	2.6
139.07605	1.0
143.08549	2.2
145.06487	3.4
145.10126	22.9
147.04420	1.9
147.08046	2.9
147.11670	3.0
149.09599	1.7
151.07532	1.2
153.09138	1.3
153.12749	13.2
155.08591	2.8
157.10139	1.4
161.06035	1.2
161.09555	1.9
163.07623	1.0
163.11183	34.5
165.09096	1.2
171.08034	1.2
171.11635	1.3
173.04471	7.2
173.09590	6.0
175.11217	1.7
181.12241	7.7
185.37170	1.1
187.11137	1.0
189.09143	1.7
189.11249	3.2
191.10663	10.1
193.12341	1.5
209.11745	12.6
211.13234	1.2
223.13261	1.4
226.64101	1.0
227.12793	21.0
229.14418	1.3
247.13361	1.5
265.14395	2.7
275.12601	1.2
283.08389	1.1
283.15460	5.2
289.14316	1.8
317.13873	1.3
335.15009	3.2
347.15207	1.2
353.15936	18.4
360.26901	0.9
381.20322	1.2
391.73386	0.9
409.18726	5.5
438.25943	1.1
449.25073	1.3
461.52499	1.1
463.26794	2.5
473.25238	2.9
491.26279	4.6
509.27753	1.3
527.08759	1.1
561.26697	2.3
579.27594	1.3
579.36206	1.0
617.29755	2.7
635.30579	100.0
636.31085	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	635.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78486	0.2
55.05493	0.3
56.96537	0.3
57.10093	0.2
60.04497	0.5
67.05473	0.8
69.03401	0.7
69.07024	0.8
70.06566	0.6
71.59628	0.4
72.08115	0.3
79.05500	0.5
81.03371	0.4
81.07045	1.4
82.07367	0.2
83.04940	0.3
84.08132	0.3
85.02877	0.7
86.09666	0.8
91.05447	0.9
93.07005	0.9
94.06544	0.5
95.04953	0.6
95.08545	0.8
96.08094	0.5
97.02868	0.3
97.06508	0.5
99.04455	0.3
103.05479	0.3
103.89028	0.2
105.06994	0.6
106.06585	0.3
107.08525	0.6
108.08063	1.0
109.06514	0.2
109.10176	0.5
110.09672	0.4
115.07571	0.2
116.10696	0.4
117.61878	0.2
119.08549	0.8
120.08098	1.4
121.10102	0.3
122.05978	0.6
122.09663	3.6
127.03838	0.3
129.07004	0.3
129.10217	0.3
130.06447	0.3
131.07307	1.9
131.08572	0.5
132.08054	0.7
133.10115	0.4
134.09630	0.5
136.07567	1.4
136.11192	0.4
137.05919	0.5
137.09567	0.5
138.05438	0.3
138.09155	1.5
139.11238	0.3
140.06999	0.4
140.10692	0.7
143.88741	0.2
145.10094	0.3
146.09648	3.8
147.11632	0.3
148.07518	0.7
148.11188	0.8
149.11990	0.3
150.09125	1.0
152.07013	0.3
164.07024	1.1
164.10709	0.4
165.09117	0.4
166.08508	0.3
168.10207	0.6
171.09209	0.3
171.11525	0.3
174.07822	0.4
174.09140	4.0
176.10707	0.4
185.10663	0.5
187.08653	0.6
189.10220	1.0
192.10172	0.9
199.08690	0.3
200.09442	0.9
201.05000	0.4
201.06580	2.2
202.07336	7.1
204.10199	1.9
207.11227	0.4
211.08713	0.5
212.09261	0.4
213.10176	1.1
215.08176	0.7
217.09718	10.2
219.13780	0.3
220.09686	10.8
226.10962	0.3
227.08205	0.4
227.11810	0.4
229.09506	0.5
232.11934	0.3
233.09210	4.9
235.10764	2.0
239.08179	0.8
239.11697	0.4
241.09784	0.9
243.07605	0.3
243.11269	0.5
245.09151	0.4
255.11195	0.5
257.09207	11.8
258.09882	0.3
259.10770	1.7
261.08701	100.0
262.09018	1.1
269.09167	0.5
271.10721	0.5
273.12384	0.6
285.08701	16.1
285.11893	0.7
286.09161	0.3
287.05490	1.2
287.10251	2.9
290.87714	0.3
299.10312	0.4
301.11993	0.4
302.12830	1.1
303.13531	0.4
305.07736	0.3
307.12750	0.3
311.13760	0.3
312.13898	0.3
313.08206	10.5
315.13431	0.6
316.14459	0.5
317.15167	0.6
329.15173	0.7
331.09238	14.5
344.13989	0.4
347.16571	0.7
360.13409	1.1
360.23843	0.8
361.14154	1.8
362.14615	0.4
362.18915	0.3
374.14987	1.0
375.15866	0.4
380.19781	0.4
388.16452	0.7
390.18246	1.5
398.17087	18.6
399.17313	0.6
402.77747	0.3
406.17621	10.5
408.19272	2.0
414.16641	2.2
418.17648	2.0
419.85901	0.2
432.17648	0.7
434.17032	3.7
436.18787	0.6
452.18018	3.2
454.19635	1.0
464.18082	3.0
468.17709	8.9
480.17657	19.7
498.18442	0.5
543.25989	0.4
589.26593	5.9
590.26300	0.3
599.25104	0.6
603.24365	0.5
607.27185	0.7
617.26038	43.7
618.26093	0.9
635.27124	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	635.2716
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
50.58044	0.4
52.77532	0.4
53.03947	0.8
55.01865	1.1
67.05497	1.4
69.07055	0.6
69.35035	1.5
69.35459	3.8
70.06597	5.1
71.02488	0.6
71.06910	0.5
72.08154	2.2
79.05492	2.2
80.05013	1.2
80.18491	0.4
81.03381	0.8
81.05780	0.7
81.07071	0.8
82.06581	1.9
84.04478	0.6
84.08148	2.7
85.02909	1.0
86.09734	0.9
88.52209	0.4
91.05489	2.9
93.05804	0.7
93.07054	7.7
94.06581	6.9
95.04968	1.5
95.07368	6.8
95.08603	1.4
96.08134	13.9
96.08762	0.7
97.06534	1.5
98.06078	0.7
103.05499	1.4
105.04533	0.5
105.07020	0.7
106.06577	1.1
107.07340	2.4
108.08128	11.6
109.08921	1.2
110.06007	0.6
110.09692	26.2
112.07607	3.9
116.10767	0.7
119.08525	0.5
120.08115	31.6
121.06496	0.9
121.08994	2.5
121.10155	0.9
122.06059	6.9
122.09690	4.9
123.06838	0.9
124.07603	1.9
129.10257	1.4
131.07327	1.5
132.08142	0.9
134.09698	0.8
136.07590	7.3
138.09151	100.0
139.09464	0.9
140.07059	4.2
140.10672	1.2
141.07399	1.2
146.05960	0.7
146.09697	2.5
148.07579	1.7
149.08345	0.6
150.09181	4.4
152.07104	0.8
157.09769	0.7
160.07648	0.8
162.05498	0.8
164.07085	12.4
164.08411	1.0
166.08656	6.2
174.09187	6.1
177.06615	2.4
177.10265	0.7
178.08612	0.6
181.09755	7.7
181.62854	0.5
188.07101	1.8
191.08183	7.2
192.10257	1.2
201.06599	0.7
201.10370	0.7
202.06969	0.7
202.08786	6.7
203.04575	0.6
203.08173	3.0
204.06537	1.8
205.09746	0.7
213.10231	1.1
217.09715	4.0
218.08353	0.6
219.11412	0.8
220.09723	3.8
223.10814	1.4
227.08191	0.7
229.06155	1.4
230.08226	3.7
233.09235	1.3
235.10815	2.1
243.11337	1.2
244.09772	1.1
245.09183	3.7
247.10767	1.0
248.09195	3.1
257.09213	1.9
259.10797	1.7
261.08731	22.7
263.10333	4.4
265.11774	1.1
267.11145	0.6
268.12881	0.7
271.06036	0.6
272.09283	1.5
273.08743	0.6
273.12195	0.9
279.09802	0.8
279.13116	0.6
283.14444	1.1
285.08667	2.2
287.10263	4.6
289.11832	1.0
290.10205	1.4
291.09695	0.6
305.08063	0.9
305.11258	4.4
307.12875	5.7
313.08148	2.4
315.09750	0.7
315.13391	0.7
326.14850	0.7
331.09232	1.7
333.10870	1.3
340.13013	0.6
352.16791	0.9
360.23810	0.7
380.15839	0.7
398.17075	8.3
406.17749	2.5
424.18912	0.8
426.20270	2.4
434.17081	3.4
436.18774	0.5
444.21265	3.5
450.16888	0.8
452.18182	5.9
454.19876	6.5
460.27826	0.6
468.17871	1.5
470.19235	17.8
472.20828	6.4
480.17639	9.9
498.18887	3.2
511.23395	0.6
540.59979	0.5
543.26038	1.4
553.25006	0.7
553.35065	0.5
571.25568	3.8
589.26526	16.7
599.25201	2.9
607.27594	9.7
617.26093	20.3
618.26031	1.0
635.27209	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	635.2713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01863	0.6
67.05495	1.6
69.03417	0.7
70.06602	0.7
70.92709	0.5
70.93032	1.0
75.33421	0.4
79.05483	2.2
80.05014	1.4
81.03393	0.6
81.05797	0.8
82.06578	1.1
85.02910	0.4
87.10119	0.4
91.05476	3.2
93.05766	0.8
93.07043	6.4
94.06570	7.8
95.04980	1.2
95.07351	7.1
95.08600	1.2
96.08128	13.4
97.06516	0.9
98.06086	0.6
103.05445	1.1
106.06554	1.4
107.07339	2.3
108.08121	10.0
109.08894	1.4
110.09676	25.1
111.09995	0.4
118.06543	1.0
119.04970	0.6
120.08105	25.0
121.06495	1.1
121.08919	2.5
122.06029	7.5
122.09669	4.9
123.06808	1.5
124.07580	1.8
129.07016	0.5
131.07314	1.7
132.08131	0.6
134.09541	1.0
136.07581	7.5
136.11183	0.6
138.09134	100.0
139.09499	1.0
140.07004	0.7
140.10632	0.5
144.35245	0.4
146.09660	3.9
148.07570	1.5
150.05434	0.6
150.09138	9.1
153.10275	0.5
158.08098	0.4
160.07634	0.8
162.05460	0.6
164.07069	13.0
166.08643	4.9
174.09143	6.8
177.06590	3.2
178.08627	0.5
181.09714	8.5
182.08171	0.9
188.07077	2.0
189.10237	0.8
190.73796	0.4
191.08157	8.4
192.10216	1.7
200.07339	0.4
200.10809	0.5
201.06580	0.8
202.07274	1.4
202.08812	6.7
203.04698	0.4
203.08139	3.2
204.06593	1.1
205.09708	0.9
213.10304	0.9
214.08121	0.4
216.41115	0.4
217.09729	5.2
219.11313	1.0
220.09657	4.7
227.08139	0.9
229.06085	0.7
230.08105	5.6
231.07721	0.7
231.11263	0.6
233.09209	1.4
235.10789	1.3
241.09673	0.8
241.13518	0.5
243.11310	1.1
244.09688	1.4
245.09128	3.0
247.10774	0.5
248.09134	3.1
257.09268	1.8
259.10815	1.8
261.08704	31.3
262.09036	0.5
263.10254	3.3
265.11786	0.8
269.09259	0.7
271.07227	0.5
272.09216	2.5
273.08792	0.4
273.11963	0.5
277.11887	0.5
279.13452	0.6
285.08804	2.2
285.11612	0.5
285.15540	0.5
287.10281	6.1
288.08734	0.8
289.11691	1.6
290.10254	1.5
299.10153	0.8
302.12820	0.8
305.07925	0.7
305.11111	3.3
307.12860	5.9
313.08221	3.8
315.13370	0.7
316.14517	0.6
321.14609	0.7
326.15182	0.5
331.09268	5.7
333.10818	1.6
340.12903	0.6
348.17288	0.6
352.16818	0.6
361.14224	0.8
363.16760	0.7
380.16071	0.7
398.17096	8.9
406.17596	3.7
424.18808	1.2
426.20200	1.5
434.17017	4.4
436.18488	0.7
444.21216	2.6
452.18246	5.5
454.19653	4.9
455.18756	0.5
468.17496	3.1
470.19244	18.4
471.19525	0.9
472.20715	4.8
473.20111	1.0
480.17670	16.4
480.24579	0.8
481.17532	0.6
498.18597	1.8
525.24951	0.6
543.26044	1.8
571.25433	3.1
575.26813	0.5
589.26593	14.6
590.26556	0.8
599.24835	1.8
607.27448	4.9
617.26044	23.8
618.25958	1.3
635.26733	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	635.2714
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71737	0.4
53.03925	0.5
55.01870	1.0
65.28283	0.4
67.05499	2.1
69.03417	1.0
69.07069	1.3
69.60883	3.6
70.06597	3.7
71.02453	0.8
72.08148	1.0
79.05486	2.2
79.97012	0.4
80.04985	1.0
81.03393	0.8
81.05807	1.0
81.07029	0.7
82.06580	1.4
84.08121	1.2
85.02876	1.1
85.06562	0.5
86.09696	1.1
89.06049	0.6
91.05470	3.2
93.05762	0.8
93.07042	6.1
94.06563	7.8
95.04960	1.5
95.07351	6.8
95.08597	1.3
96.04539	0.6
96.07558	0.9
96.08137	11.6
97.02872	0.8
97.06544	1.8
98.06038	0.5
103.05482	1.6
105.05808	0.6
105.07042	1.0
106.06569	1.2
107.07325	2.0
107.08633	0.6
108.08127	10.8
109.08862	1.3
110.09683	25.7
112.07575	2.3
119.04932	0.6
119.08615	0.6
120.08112	24.4
121.06485	1.4
121.08984	2.4
121.10208	0.7
122.06031	6.7
122.09669	4.9
122.56418	0.5
123.06814	1.3
124.07597	1.5
127.03960	0.6
129.10168	0.6
131.07318	1.0
131.50475	0.5
132.08073	0.9
133.10126	0.6
134.06062	0.7
134.09680	0.6
136.07579	6.8
137.06058	0.7
138.09142	100.0
140.07034	3.8
140.10733	1.0
144.08040	0.6
146.09665	2.4
147.04283	0.5
148.07593	2.3
149.07109	0.6
149.08353	0.8
150.05544	0.8
150.09132	2.8
152.07179	0.8
153.10326	0.5
160.07520	1.2
162.05484	0.6
164.07065	12.1
165.09117	0.7
166.08614	5.5
174.09132	5.2
177.06572	2.5
181.09702	7.2
188.07048	2.4
189.10327	0.6
190.08759	0.5
191.08195	7.3
192.10178	1.0
197.10641	0.5
201.06642	1.1
202.08730	7.3
203.08154	3.4
204.06548	1.6
205.09837	0.9
206.08105	0.6
211.08757	0.6
214.08775	0.5
216.10249	0.8
217.09802	4.3
219.11244	0.9
220.09764	3.8
223.10806	0.7
227.08257	0.8
229.06140	1.5
230.08113	4.2
231.07472	0.6
231.11287	0.7
233.09258	0.9
235.10765	1.6
241.09795	1.1
241.13512	0.7
243.07722	0.9
244.09802	1.3
245.09244	4.6
246.07683	0.8
248.09177	3.3
255.11316	0.9
255.14854	0.8
257.09207	1.1
257.16486	0.5
259.10803	1.5
261.08716	18.0
261.11780	0.9
263.10229	4.5
271.07089	1.1
272.09149	2.2
273.08917	0.7
277.11746	0.6
283.14435	1.4
285.08868	0.9
285.15744	0.6
287.10260	5.2
289.11832	0.9
290.10132	0.6
291.09763	0.5
301.11938	0.9
305.11307	4.4
307.12967	6.2
313.08203	1.2
315.09705	0.8
315.13385	0.9
319.12964	0.6
329.11377	0.7
331.09247	1.3
333.10831	1.4
340.13089	1.1
348.17053	0.7
352.16476	0.5
363.16663	0.6
364.16611	0.7
378.18210	0.8
380.15976	0.7
382.17624	0.7
398.17197	6.6
406.17795	2.0
424.18506	0.8
426.20453	2.5
434.17154	2.8
444.21371	3.0
448.19077	0.6
450.16528	0.7
452.18091	4.3
452.45355	0.5
454.19617	5.7
462.16641	1.6
468.17767	1.5
470.19229	18.1
472.20880	7.3
480.17578	8.6
493.05603	0.5
498.18369	2.7
500.76297	0.5
506.48938	0.5
543.26117	2.0
553.24365	0.7
571.25311	3.4
575.27069	1.0
581.39795	0.6
589.26587	17.6
599.24890	4.7
607.27655	6.6
617.26019	19.5
617.36224	0.9
635.27124	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	635.2712
Annotation	3-Hydroxyethylbacteriochlorophyllide a
Peak:m/z	Relative Intensity
53.03944	2.3
55.01882	2.5
55.05504	6.4
56.96556	2.4
57.03434	2.5
61.02924	2.7
67.05503	15.3
69.03427	5.8
69.07070	4.0
71.05001	2.8
71.59854	3.5
79.05489	11.9
81.03418	18.0
81.07055	10.0
83.04983	2.9
83.08624	6.4
84.08144	2.8
85.02893	6.6
85.06539	2.8
91.05466	11.1
93.07043	12.5
94.06573	2.6
95.04960	6.0
95.08605	6.0
97.02885	5.9
97.06533	2.4
97.10170	4.5
105.07038	7.2
107.04946	4.2
107.07361	2.8
107.08578	8.8
108.08121	2.6
109.02915	2.6
109.06528	3.2
109.10161	8.2
111.04455	2.1
117.07026	4.0
119.04964	2.1
119.08593	5.6
120.08092	4.5
121.06523	3.2
121.10144	5.1
122.06002	8.7
122.09677	32.2
123.08085	3.3
127.03918	4.3
131.08563	5.5
133.10118	3.2
135.08098	3.0
135.11711	4.0
136.07594	10.2
143.08511	2.2
145.10146	4.1
147.08054	1.9
148.07585	2.1
150.09160	8.7
157.10143	2.3
158.09758	2.5
159.11728	1.8
163.11172	7.7
164.07059	9.3
173.04491	2.4
173.11880	2.0
174.09129	3.7
176.10655	2.2
186.12737	2.2
187.11363	1.8
196.09933	6.2
204.46005	2.2
211.12248	15.3
218.97627	2.2
227.12836	7.4
229.14391	3.0
278.06702	2.8
279.14792	2.1
285.09732	2.5
287.10306	7.0
289.13861	2.9
291.11298	1.9
305.12823	2.6
306.13791	2.1
307.14566	3.2
316.30988	2.1
319.14276	3.9
320.16669	2.4
321.16144	5.0
322.14478	3.3
334.15561	2.5
345.16153	2.2
347.13773	3.9
348.16821	2.5
348.88684	1.7
349.15591	5.9
353.15424	2.2
361.11584	2.6
363.17014	7.4
365.15417	6.1
366.17899	3.3
375.17206	4.1
381.17999	7.2
390.18271	3.9
391.16599	15.6
393.18057	6.7
394.17514	2.7
407.15976	15.0
408.19095	2.3
409.17584	11.3
409.43988	2.3
416.15973	3.0
418.17447	4.0
419.16055	11.8
424.18527	3.8
426.20102	5.7
435.15381	3.3
436.18750	21.0
437.16968	4.5
439.27118	4.7
452.18155	38.4
454.19730	100.0
462.16617	3.1
472.20859	6.6
480.17914	11.8
498.18558	2.4
543.25531	3.5
571.25513	3.6
589.26593	98.0
599.24945	27.5
617.26038	94.2
618.26880	2.6
635.30536	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	634.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65090	0.6
53.03938	0.6
55.01875	3.9
55.05511	9.9
57.03436	10.8
57.07064	1.1
59.05003	4.4
61.02930	4.4
65.03931	1.1
67.05505	55.2
69.03401	2.3
69.07061	3.2
69.39707	3.8
69.40126	1.1
69.49596	0.5
70.06551	0.5
71.01329	0.8
71.04992	4.0
73.02908	1.1
79.05062	0.8
79.05490	9.1
81.03422	7.7
81.06587	0.8
81.07055	15.2
81.98580	0.5
83.01343	4.8
83.04538	0.6
83.04981	5.7
83.08619	9.9
85.02908	7.6
85.06510	2.2
91.03929	2.2
91.04984	0.8
91.05479	10.6
93.06485	0.8
93.07045	15.6
95.04979	3.5
95.08050	0.6
95.08606	7.2
97.02892	4.3
97.06510	2.6
97.10161	1.0
99.04435	2.0
101.20084	0.5
105.07028	5.4
107.04958	4.4
107.07960	0.7
107.08596	8.5
109.06522	4.1
109.10155	60.7
111.04410	1.4
111.08079	3.9
117.07011	3.7
119.08578	10.0
121.06505	1.2
121.10126	5.5
123.08050	5.5
123.11636	0.6
123.53530	0.6
125.05982	0.9
125.09606	1.0
127.03860	1.1
129.06969	0.9
130.07806	0.6
131.08522	2.3
133.10141	1.3
135.08041	1.5
135.10826	0.7
135.11710	7.5
137.09619	4.0
143.08572	0.9
145.09039	0.7
145.10123	9.3
147.08040	1.4
153.12729	1.6
155.08543	1.0
155.10670	2.6
163.09842	0.8
163.11188	15.4
173.09581	1.4
173.11734	19.1
181.12204	3.1
191.10600	2.7
199.78841	0.5
201.95949	0.5
209.11737	5.2
211.13257	0.9
227.12767	4.4
229.14348	79.5
283.15393	73.0
284.15686	0.7
285.09988	0.6
320.85602	0.6
369.99826	0.5
437.25360	100.0
438.25586	1.1
581.30792	0.6
634.41724	0.9
635.30304	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	633.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
54.10582	1.5
55.01864	5.1
55.05518	20.0
56.68142	2.0
57.03436	6.8
57.07065	3.0
59.04982	1.9
65.03939	4.4
67.05506	100.0
69.03427	35.5
69.07078	15.3
70.39680	1.6
70.77406	5.5
71.04984	5.4
79.05059	2.9
79.05495	34.1
81.03423	26.1
81.06583	2.2
81.07062	46.3
83.05000	9.4
83.05417	2.1
83.08637	12.3
85.02909	5.7
85.06534	3.2
87.04494	1.9
91.05482	29.5
93.07050	38.5
95.04960	13.4
95.08612	25.3
97.02911	4.4
97.06548	4.2
97.10189	5.9
99.04448	2.7
103.05511	2.1
105.07029	28.8
107.04963	6.6
107.08599	21.2
109.02889	4.1
109.06503	4.7
109.10162	64.2
111.04466	8.9
111.08083	5.1
117.07008	17.3
119.08591	23.6
121.06492	3.3
121.10157	12.4
123.08078	5.1
123.11774	3.3
125.09678	5.4
127.03940	4.7
129.07028	8.7
131.08569	15.7
133.06473	3.4
133.10118	14.8
135.08078	4.8
135.11723	10.2
137.09615	6.8
139.11234	2.2
141.07002	2.6
143.08557	7.6
145.06496	3.2
145.10126	12.6
147.08038	3.6
147.11685	9.7
149.09624	6.8
149.13292	4.8
151.07607	2.6
151.11261	2.6
153.09073	2.0
155.08586	4.8
155.10675	3.9
157.10139	9.0
159.08138	3.7
159.11711	12.1
161.09645	3.5
161.13269	5.2
163.11156	4.3
163.14815	1.9
167.08534	2.8
169.10144	4.4
171.11705	6.6
173.11765	14.7
173.13316	6.0
175.11194	3.4
175.14909	2.3
181.10178	2.5
183.11758	3.8
185.09607	2.4
185.13263	5.1
187.11220	2.5
188.18445	2.3
189.11282	4.2
189.12799	2.1
197.11563	2.1
197.13329	4.8
199.11356	2.2
199.14922	2.7
203.10670	3.1
205.15869	2.5
215.14352	2.7
225.12717	2.3
229.14342	23.4
241.15797	1.8
249.16357	1.9
261.22235	2.0
277.21671	4.7
285.22092	2.4
289.21677	2.4
299.14890	4.1
301.21701	5.5
309.22119	2.6
313.21771	2.0
315.23212	2.1
319.22684	2.7
325.21722	1.8
327.23010	2.2
339.23383	2.7
341.24680	3.4
351.23248	3.8
353.24744	2.4
355.17850	2.5
369.24310	14.8
371.25800	2.3
387.25342	5.6
405.26221	2.1
443.27798	4.6
461.28970	9.4
489.35516	5.1
597.37872	7.0
615.38422	9.5
633.39990	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27044	1.4
53.03941	6.3
53.24047	1.5
55.01871	3.1
55.05511	23.0
57.03431	5.5
59.05002	4.0
63.63710	1.5
65.03931	5.2
67.05506	100.0
69.03430	33.6
69.07067	16.2
69.44577	3.8
69.44984	11.6
71.04991	5.8
79.05493	30.6
81.03423	20.7
81.07056	40.5
83.04974	8.4
83.08621	11.1
85.02906	5.2
85.06557	4.3
91.05475	35.5
91.06004	2.7
93.07041	40.2
95.04970	14.0
95.08609	30.7
97.02896	4.2
97.06546	6.1
97.10151	8.2
99.04450	3.1
99.08107	2.0
103.03933	2.0
105.07030	30.3
105.07671	2.7
107.04960	4.5
107.08588	21.8
109.02873	5.5
109.06514	9.4
109.10157	55.8
111.04472	6.0
111.08112	5.8
112.85834	1.5
115.05489	3.6
117.07020	14.4
119.08572	24.9
121.06508	5.1
121.10155	15.3
123.08084	6.6
123.11711	3.5
125.06006	2.3
125.09645	7.1
125.79126	1.7
127.03952	5.0
128.06248	3.8
129.07024	9.4
131.08562	14.5
133.06569	3.5
133.10146	17.9
135.08086	7.4
135.11691	8.1
137.06026	1.4
137.09641	7.5
141.07001	4.3
142.07738	2.1
143.08542	10.8
145.06485	2.3
145.10127	17.3
147.08110	5.4
147.11708	9.2
149.09653	5.0
149.13255	4.4
151.07593	2.9
153.09068	1.7
155.08585	4.9
157.10158	10.1
158.93491	1.5
159.08043	3.2
159.11682	11.9
161.09648	5.2
161.13322	6.8
163.11247	4.9
163.14832	2.1
165.09074	2.4
167.08533	1.8
169.10165	4.5
171.11740	6.9
173.09602	2.9
173.11781	19.0
173.13313	6.5
175.11230	3.4
175.14787	2.8
177.12810	2.9
179.08604	2.0
181.10091	2.3
183.11729	4.3
185.09732	3.2
185.13286	5.0
187.11195	2.0
187.14879	4.1
189.11237	4.6
189.12672	2.2
195.11757	3.2
197.13251	3.8
199.14911	2.7
201.12823	1.7
209.13333	2.9
211.11359	2.1
211.14830	2.7
213.12866	2.6
229.14328	19.4
229.16141	1.6
241.19441	1.9
245.13776	3.3
259.20639	2.7
261.22189	2.7
273.18677	1.7
273.21829	2.4
275.20212	1.6
283.16803	1.8
283.20813	2.1
291.19601	3.7
297.22116	1.6
299.15015	3.6
301.21649	7.1
315.23285	2.5
317.25061	1.7
319.22595	2.9
327.23267	2.5
329.21130	1.8
341.24658	3.4
345.24298	1.9
351.23291	5.8
355.17572	4.4
369.24319	9.7
371.26059	2.0
375.25592	1.9
387.25412	6.6
405.26328	2.9
443.28018	5.9
461.29175	9.2
581.52258	1.7
597.38074	6.6
615.39099	12.1
633.40063	71.4
634.40869	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	632.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.9
54.06758	0.9
55.01856	1.0
55.05513	7.6
57.03192	0.8
57.03440	10.1
57.07065	1.4
57.12829	0.8
61.02920	2.5
64.59075	0.9
67.05505	29.0
69.03429	1.8
69.07069	8.1
71.01349	2.6
71.04975	2.8
71.61220	1.4
79.05062	1.9
79.05498	26.8
81.03420	7.9
81.07056	17.3
83.04977	7.5
83.08624	3.8
85.02904	4.2
85.06535	3.2
91.05487	15.4
93.06470	1.7
93.07045	30.1
95.04978	5.5
95.08613	6.7
97.06526	8.6
97.10161	6.6
99.08123	1.9
103.16164	1.0
105.07034	5.7
107.04964	2.2
107.08595	20.9
109.06496	2.1
109.10144	6.6
111.08091	3.2
114.39430	0.8
117.07018	3.0
119.08590	6.2
121.06517	0.8
121.10151	6.3
123.08091	1.6
125.09634	1.6
129.06969	1.6
131.08565	2.1
133.10106	4.1
135.08029	1.1
135.11696	37.5
137.09613	2.1
145.10139	9.4
147.11629	3.0
148.55302	1.0
149.09613	1.1
157.83861	1.0
163.11172	6.4
173.11606	1.4
175.11192	1.4
181.12224	6.6
193.12231	2.5
199.13309	1.3
207.13773	1.2
211.13312	3.5
229.14366	3.9
255.15909	52.0
267.16064	1.5
269.17383	2.0
277.21579	1.5
281.17487	1.6
285.16998	3.6
435.27432	100.0
436.27582	1.4
439.27087	4.5
461.29156	1.7
472.47928	1.0
479.30106	5.5
543.37219	1.4
561.37744	1.7
601.27917	1.0
613.07343	1.0
632.34851	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	632.255
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01567	0.4
50.32184	0.4
51.44257	0.4
53.03938	0.9
55.01868	1.1
55.05510	1.9
56.96565	0.4
57.03435	2.1
60.04529	0.5
61.02910	0.4
61.22332	0.4
65.03935	0.4
66.99405	0.4
67.05504	2.7
69.03421	4.3
69.07054	0.7
70.06581	1.7
71.04958	0.6
71.59397	0.6
72.08156	0.7
73.02921	0.4
75.04471	1.4
77.03906	0.6
79.05495	7.0
81.03407	1.5
81.07061	4.4
81.68737	0.5
83.01340	0.9
83.04971	1.4
84.08139	0.4
85.02907	2.3
86.09694	1.0
87.04460	1.5
91.05474	10.6
93.07039	32.7
94.07362	0.7
95.04967	4.8
95.08596	5.2
97.02887	100.0
97.06528	1.7
98.03209	0.7
99.04453	3.3
103.05482	1.0
105.07021	8.4
107.04935	1.1
107.08582	7.4
109.06500	2.3
109.10163	0.8
109.73566	0.4
111.04437	2.6
111.08049	1.2
113.93388	0.4
115.03949	2.5
115.05427	0.8
117.05508	1.4
117.07004	4.7
118.07635	0.4
119.08575	52.1
120.08872	0.8
121.06508	4.2
121.10137	29.9
123.04412	3.6
123.08040	2.0
123.11691	0.5
125.05991	1.5
127.03893	0.7
128.06236	1.7
129.06972	2.6
131.08563	5.6
133.04941	0.8
133.06482	1.6
133.10132	2.6
135.04417	1.0
135.08040	2.8
135.11691	2.0
136.07539	0.7
137.02277	0.5
137.05968	1.9
139.03937	0.9
139.07480	0.5
139.11189	1.2
141.07008	1.1
142.07791	0.8
143.08569	5.5
145.06502	1.5
145.10132	5.3
147.04439	0.6
147.08003	3.1
147.11674	1.3
149.05975	6.5
149.08449	0.4
149.09608	8.4
149.13206	0.4
151.07492	2.2
154.08618	0.6
155.03378	1.2
155.08488	0.8
156.09328	1.8
157.06462	0.6
157.10123	3.2
157.57451	0.5
159.08060	1.4
159.11699	2.9
161.05998	1.8
161.09599	3.1
161.13249	1.3
163.07501	3.6
163.11131	2.4
164.08316	3.9
165.05463	0.8
165.07004	0.7
165.09081	3.0
166.07747	1.0
167.03398	0.5
167.10663	3.9
169.10216	0.7
170.05759	2.4
170.07031	0.5
171.06407	1.1
171.08057	3.1
171.11659	5.2
173.09680	1.2
173.13188	0.9
175.07567	1.6
175.11183	1.0
179.10796	0.5
181.10143	2.2
184.07352	0.5
184.08844	1.2
187.07559	1.6
187.11177	1.3
189.09109	11.1
189.10788	0.8
189.12738	4.3
191.10674	3.1
199.11165	7.7
201.09128	0.6
201.12767	0.8
203.10675	3.0
205.12225	0.6
212.16425	0.5
215.10579	0.5
217.12230	24.0
225.11208	0.9
227.10669	5.3
233.04488	0.5
233.11754	2.1
235.13344	1.4
235.26982	0.4
245.04472	0.8
245.11725	31.0
251.05420	0.4
253.14185	2.1
257.04364	0.8
258.04996	1.6
263.12775	24.0
271.06012	0.5
281.13828	21.0
285.07611	0.5
286.04688	1.7
287.05362	4.5
288.05872	3.8
299.14926	1.0
325.10861	0.6
371.93869	0.4
381.13239	0.4
399.14291	0.5
425.18079	1.1
443.19131	1.2
455.09641	1.7
456.09943	5.3
578.36975	0.5
632.13629	0.9
632.24548	0.6
633.12750	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	631.2767
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66476	0.5
55.01881	1.0
56.96556	0.9
60.80584	0.5
61.22114	0.5
67.05499	1.3
68.05061	0.6
68.82332	0.5
69.03437	0.6
69.07060	2.5
69.95727	2.8
70.06593	0.8
71.04999	0.6
77.25992	0.5
79.05492	2.0
81.03419	0.9
81.07057	2.2
83.05006	0.6
85.02847	0.5
86.09700	0.8
91.05521	0.6
93.07056	1.0
94.06561	3.5
95.04974	1.0
95.08623	0.9
96.08145	1.1
97.02854	0.7
97.06531	1.4
97.10168	0.6
105.07042	0.8
106.06609	1.0
107.04976	0.8
107.08616	1.0
108.08116	1.7
109.10171	1.1
111.06544	0.5
112.07595	0.7
116.05036	0.9
118.06498	0.8
119.08598	1.2
120.08135	1.2
121.05164	0.5
121.10139	0.8
122.06017	10.8
123.78138	0.5
124.07587	28.5
133.06462	0.5
133.10109	0.5
134.06030	1.6
134.99652	0.5
136.07559	0.7
138.09178	0.6
140.07060	14.3
144.04477	2.3
146.05997	11.0
147.06802	1.3
148.07587	2.4
152.07101	1.3
160.07541	0.7
162.05527	2.0
163.06256	0.8
166.08722	0.6
172.03935	16.2
172.07492	0.6
173.04724	1.6
174.05510	14.2
176.07059	8.0
178.08578	0.6
187.12216	0.6
188.07176	0.9
190.04987	3.3
191.05746	5.2
192.06505	2.8
197.07133	0.6
197.10710	1.0
199.08713	1.4
204.06560	29.1
206.08131	10.2
209.10793	1.1
210.09261	0.6
211.08653	1.3
211.12291	1.0
212.09433	1.8
213.10201	2.9
215.11777	1.6
223.08659	0.7
223.12358	0.5
224.09528	1.4
225.10161	4.6
226.11020	1.1
227.08217	0.6
227.11801	6.4
229.09645	0.7
236.09485	0.9
237.10205	2.6
238.10970	1.6
239.11862	3.0
240.12569	0.8
241.09776	2.2
241.13362	0.6
243.11287	10.4
243.13600	0.7
245.12933	1.2
249.10313	1.6
250.10869	0.7
251.11800	2.1
253.09753	1.7
254.10637	1.1
255.11324	2.1
256.11957	0.9
261.12296	0.9
263.11890	1.0
264.09015	1.3
265.09741	2.7
267.11353	1.0
268.12064	0.6
269.09421	1.6
269.12808	12.2
271.10834	3.8
271.14337	1.4
275.14151	0.7
277.09796	1.4
278.10468	0.9
279.11325	1.7
281.13242	0.5
283.10764	8.1
284.11505	3.4
285.12363	10.0
287.10434	2.2
287.13861	13.3
288.11423	0.7
288.14819	0.5
291.11395	0.8
295.10654	1.6
296.11609	0.8
297.12344	14.5
299.10385	2.2
300.11960	0.7
301.11920	3.0
303.13379	33.6
304.14297	1.3
309.12527	0.9
311.14157	0.8
313.11829	14.3
313.15503	1.1
314.13080	1.3
315.13461	10.5
316.11075	1.0
316.14624	3.0
317.15277	1.5
318.12799	0.7
318.16125	2.3
319.16830	1.2
323.10178	1.8
327.14594	0.6
328.11035	0.6
328.14676	2.0
329.11536	1.3
329.14978	7.8
330.12433	1.9
330.16101	3.5
331.12988	7.5
331.16852	3.7
332.13968	1.2
332.17578	1.2
337.11874	1.1
340.14694	0.9
342.12616	1.9
342.16391	0.6
343.13266	2.2
344.14227	2.5
344.17444	2.4
345.14450	8.1
346.15536	2.9
347.16333	2.3
354.12347	1.3
354.16248	1.3
355.13898	0.9
356.14041	2.9
357.10922	0.7
357.15012	2.2
358.11835	1.1
358.15604	4.5
359.16476	1.1
360.17242	2.5
363.15466	0.9
364.15955	0.6
366.16293	1.1
368.17896	0.6
370.11896	1.7
370.15628	2.0
371.12842	2.0
372.13062	3.6
372.17264	1.7
373.14313	1.9
374.14938	2.9
382.11658	0.8
382.15820	0.8
383.12338	1.7
384.13199	5.4
384.16739	0.6
385.14066	2.8
386.14807	6.8
387.15671	4.9
388.16583	4.4
390.18286	2.8
396.12994	0.6
398.14938	7.1
399.15820	8.5
400.16638	13.8
402.13901	2.7
404.15881	2.8
405.16879	1.5
406.17719	3.9
407.18787	0.6
412.16733	0.7
414.14545	3.7
414.18967	1.6
415.15073	10.4
416.16016	15.2
417.16611	2.9
418.17606	6.1
428.16461	0.7
430.17847	4.8
431.18396	1.6
432.15372	1.4
433.16360	2.4
434.16989	3.5
440.16034	2.3
441.16541	0.7
444.15945	1.3
446.17255	5.0
447.17715	1.4
456.15811	2.3
457.16321	0.8
458.17050	15.7
459.17810	7.5
460.19171	1.4
474.16629	17.2
475.17303	9.1
476.18091	4.0
485.23544	0.7
490.19876	2.3
491.20511	1.0
506.19168	2.9
507.20016	1.7
555.26398	1.6
557.24078	3.4
581.23639	6.4
599.24994	100.0
600.25110	3.6
631.27502	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	631.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14788	0.5
55.05505	1.3
56.96572	0.6
61.97292	0.6
67.05510	2.7
69.03422	1.0
69.07073	3.7
69.53323	3.5
69.53748	1.4
75.67537	0.7
79.05492	2.2
81.03423	1.2
81.07066	3.2
83.04985	0.6
85.02904	1.1
86.09702	3.5
87.10057	1.0
90.18913	0.6
91.05478	2.6
93.07056	2.1
94.06567	5.1
95.04978	2.0
95.08622	1.0
97.06538	0.8
105.07055	1.2
107.08607	1.4
108.08124	1.5
109.06538	0.8
109.10152	2.0
112.07634	2.1
118.06570	2.0
119.08604	0.9
120.08119	6.8
121.08448	3.2
121.10172	1.3
122.06030	17.8
122.15107	0.5
123.04383	0.9
123.11670	0.6
124.07641	0.8
127.03954	0.7
129.06998	0.7
131.08632	0.7
134.06017	2.0
134.87895	0.6
136.07599	1.1
137.08022	0.5
140.07068	27.1
144.04482	1.7
145.10155	1.1
146.06006	12.1
147.06404	1.7
147.11723	1.0
148.07594	1.9
162.05516	2.0
162.09169	1.9
163.06375	0.7
172.03931	14.7
172.05421	0.8
172.07590	0.5
173.04733	0.9
174.05521	12.1
176.07089	4.4
190.04984	2.8
190.08588	0.6
190.82866	0.6
190.96159	0.6
191.05800	2.3
192.06610	2.2
199.08754	0.8
199.12299	1.1
204.06577	28.2
206.08157	9.9
211.08766	1.5
213.10269	0.9
214.07178	0.7
224.09380	1.1
225.10187	4.4
226.10951	0.8
227.11768	9.7
237.10287	1.8
238.11060	1.5
239.11868	3.1
241.09851	1.3
241.13525	0.8
243.11362	0.9
249.10298	1.1
251.08200	1.0
251.11819	2.1
253.09749	2.3
255.11354	1.0
257.04480	0.9
258.05130	0.6
259.14514	1.6
260.14743	1.3
261.12534	1.1
261.15039	0.8
263.08252	1.2
264.09052	1.0
265.09698	3.1
266.10709	0.7
267.11316	2.3
269.09729	1.1
269.12802	9.0
271.10782	3.5
277.09711	1.1
278.10486	0.7
283.10825	8.8
284.11548	4.3
285.12405	4.7
286.04749	1.5
287.13916	25.7
295.10754	1.3
297.12494	2.5
301.12213	2.4
302.12985	0.6
313.11783	18.7
314.12982	1.4
315.13913	2.1
316.10800	1.1
316.14514	4.7
323.10391	1.7
326.16690	1.2
327.13989	0.9
328.14630	2.6
329.11646	2.8
329.15515	2.3
330.12436	1.4
330.16122	4.2
331.12967	11.3
331.16898	4.9
342.12381	4.1
343.13120	4.4
344.13980	1.0
344.17664	5.1
345.14459	16.4
346.15436	0.8
346.19370	0.9
352.14270	0.8
355.13669	0.8
356.13959	4.4
357.14935	2.5
358.15570	5.8
363.15591	1.9
365.11282	1.4
369.10913	1.0
370.11667	1.4
370.15558	2.9
371.16528	1.5
372.17133	3.9
380.13840	0.8
382.11832	2.1
382.15988	1.3
383.11285	5.6
384.13431	10.6
385.13791	3.1
386.14639	4.0
386.18903	1.7
388.16534	2.0
390.18143	5.0
392.19907	0.9
394.15909	0.7
398.10156	0.4
398.15057	12.1
399.15848	17.3
400.16574	26.2
402.14429	1.4
412.16531	1.4
414.18228	4.8
415.19070	2.1
416.16019	2.4
417.16757	5.8
418.17566	8.5
430.17822	2.1
431.18427	1.6
440.16153	4.3
441.16745	1.2
444.15753	2.1
458.17136	23.1
459.17792	15.6
460.18546	2.6
490.20050	3.4
491.20404	2.5
555.25629	1.2
557.23871	2.6
581.23950	4.1
599.25024	100.0
600.25287	3.7
631.26703	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	630.4212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.0
55.01877	18.0
55.05513	49.5
57.03445	19.0
57.07073	2.8
59.05008	3.3
65.03938	4.1
67.05505	65.2
69.03403	9.4
69.03725	2.6
69.07076	24.7
70.24634	11.9
71.04984	8.9
71.08630	13.6
79.05491	54.2
81.03419	78.3
81.07059	66.1
83.04989	29.8
83.08620	53.7
85.02906	29.5
85.06519	8.0
85.79280	2.5
91.05480	59.2
93.07040	47.3
95.04967	58.9
95.08599	26.8
95.87629	2.8
97.02905	7.3
97.06523	12.1
97.10178	35.2
99.08102	15.7
105.07027	45.9
107.04967	24.8
107.08597	34.8
109.06528	11.4
109.10150	16.4
111.04441	17.3
111.06390	3.4
111.08071	23.3
113.06019	3.7
113.09570	3.3
115.05437	5.3
117.07034	14.0
119.08583	33.8
121.06492	9.9
121.10138	27.1
123.08042	8.0
123.11716	7.3
125.09626	31.6
129.07011	17.3
131.08562	25.3
133.06523	4.4
133.10103	22.0
135.08040	10.8
135.11711	16.1
137.09602	6.6
140.83818	3.0
142.07790	3.5
143.08505	3.9
145.06496	3.1
145.10121	20.0
147.08031	5.5
147.11685	24.3
149.09639	17.8
151.11206	6.2
153.09108	7.9
153.12782	4.8
157.10098	21.8
159.11696	9.5
161.09592	6.2
163.11180	31.6
165.12782	12.9
167.10655	5.1
173.09663	3.6
173.13228	4.3
175.11122	16.7
177.12761	11.1
181.12328	6.9
183.11621	3.2
187.11235	5.6
189.11229	25.1
191.14291	4.5
193.12239	56.3
193.13870	5.0
195.13837	6.6
204.00845	2.7
211.13293	82.0
223.13257	9.0
227.12804	33.4
247.20564	4.9
257.19040	6.3
267.15881	29.0
275.20081	38.0
283.15433	4.4
285.16943	96.7
293.17780	5.4
293.21103	100.0
311.22186	7.6
349.23834	15.9
367.24850	51.3
385.25821	15.8
396.39819	3.0
429.12027	3.3
437.25681	6.4
447.27338	3.5
449.29456	3.3
455.26480	8.6
467.31616	5.6
477.28116	5.3
541.34991	9.5
550.53101	3.0
559.36407	33.5
577.37427	42.7
595.38556	18.8
618.78375	3.5
630.31903	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	630.3712
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64865	0.2
53.03949	0.3
55.05511	5.5
55.05779	0.3
56.05033	1.8
56.96579	0.4
57.05819	0.9
57.23761	0.2
69.07068	5.2
70.06573	0.3
71.11161	0.2
71.11514	0.6
72.08155	100.0
73.08492	0.5
74.06073	2.7
79.05506	0.3
81.03399	0.3
81.07083	0.4
84.04504	5.3
84.04964	0.4
85.02923	0.7
86.09706	82.9
87.10025	0.3
93.07066	0.3
97.02910	0.3
97.06533	0.2
98.06064	0.9
101.53964	0.2
102.05539	2.0
105.07004	0.3
109.06558	0.2
116.07098	1.2
120.08077	0.2
121.10130	0.2
124.07571	0.3
126.05518	9.4
133.10178	0.3
144.06554	6.2
145.70656	0.2
162.07623	11.5
174.05504	0.3
181.09761	0.9
185.16490	1.9
186.05499	0.2
188.05986	0.3
190.07494	0.4
197.12851	1.4
199.18089	2.0
213.15984	1.0
215.05949	0.6
215.13940	0.3
225.12337	30.6
227.17563	3.2
235.20523	0.3
243.13409	20.7
245.18579	0.3
253.21532	0.4
257.14996	0.5
264.12466	0.2
269.12805	0.2
270.13791	0.4
275.16025	11.5
288.14719	0.3
294.13791	1.3
297.12369	0.3
301.11600	0.2
303.13376	0.6
310.21298	0.3
312.14960	0.7
315.14673	0.2
326.24200	0.3
328.22308	12.6
336.58969	0.2
338.20734	0.5
342.73892	0.2
356.21793	51.5
357.22083	0.8
388.24356	1.7
414.18158	0.4
424.76328	0.2
456.19238	1.2
469.30267	5.5
554.25928	1.2
599.25110	1.6
630.27747	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	629.2967
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32143	0.6
55.05498	0.9
56.96555	1.1
57.03410	0.9
67.05502	1.6
69.03419	1.1
69.07052	1.9
71.59647	1.0
73.37826	0.6
79.05483	1.8
81.03425	0.9
81.07052	2.5
83.04994	1.4
85.02907	1.6
86.09706	45.5
91.05482	10.6
93.07049	2.2
95.04951	0.8
95.08591	1.8
97.06523	1.4
99.04434	0.7
99.46124	0.6
103.05470	4.9
105.03371	3.5
105.07021	2.1
106.06520	0.8
107.04945	1.0
107.08589	1.2
109.06516	1.5
109.10169	1.1
115.05420	0.9
116.04996	1.0
118.06535	23.4
119.04959	1.3
119.07350	6.5
119.08562	1.1
119.65262	0.7
120.08104	100.0
120.75865	0.6
121.06484	1.5
121.08479	0.8
122.05995	0.7
123.04395	0.7
125.09599	0.7
128.10760	0.8
130.06526	1.5
131.04941	2.2
131.08591	1.0
133.06462	0.7
133.10149	0.8
134.06087	0.7
136.07574	8.9
140.07079	1.8
144.04417	0.8
144.08060	0.7
146.06004	60.2
147.06332	0.7
148.01694	0.6
162.05519	3.0
162.09135	22.2
165.05508	1.6
167.07043	2.4
167.08572	2.2
172.03923	2.6
174.05531	1.3
174.12810	2.5
182.08145	1.5
186.12755	2.2
188.14374	2.0
190.08641	16.8
191.08539	0.7
193.10155	0.7
195.08035	0.6
203.15430	3.9
204.06543	3.6
206.08044	1.2
206.09731	1.5
209.08043	0.9
209.51340	0.7
214.12347	0.6
219.08089	1.0
221.09679	0.9
223.07550	4.6
231.14955	9.9
236.10640	8.5
243.11273	2.9
247.14478	1.4
248.10757	1.0
253.13341	0.8
259.14432	47.5
264.10275	0.8
265.08554	4.4
265.13309	1.3
267.08984	1.1
270.11295	2.1
275.14008	4.3
282.11316	6.4
285.09769	1.6
285.12643	3.2
293.12967	3.1
295.16571	5.9
299.13922	2.3
309.15927	1.6
313.11707	1.5
321.14523	4.9
321.22614	0.7
327.13446	1.0
331.12930	1.0
335.13882	10.4
343.12622	0.8
345.14551	2.0
383.19662	2.3
395.19482	3.3
412.22177	2.2
420.22784	7.0
423.19318	0.9
440.21783	11.9
448.22327	2.8
458.17233	1.3
516.21613	0.9
523.32513	1.2
567.31073	0.7
597.23438	1.1
611.29272	1.2
629.31030	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	628.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13463	3.6
55.01868	12.8
55.05303	4.2
55.05513	48.6
56.82580	4.4
56.96567	3.8
57.03428	19.2
65.03933	5.7
65.16346	4.1
67.05509	72.3
69.03416	8.7
69.07065	25.4
71.04964	6.3
71.59988	5.7
72.56072	3.5
73.04086	3.8
77.38633	4.2
79.05499	73.7
81.02976	6.4
81.03417	65.9
81.07058	100.0
83.04977	32.1
83.08629	40.3
85.02907	31.3
85.06570	5.0
91.05476	67.7
93.07050	59.4
95.04974	46.6
95.08614	34.9
97.02892	5.3
97.06535	11.9
97.10165	33.6
99.08080	5.4
105.07039	45.8
106.21475	4.4
107.04950	19.3
107.08569	36.7
109.06531	15.8
109.10173	22.6
111.04442	16.5
111.08090	17.0
114.42500	4.4
117.07019	19.0
119.08591	46.3
121.06488	6.4
121.10121	32.0
123.08058	32.2
125.09636	24.0
129.07014	20.1
131.00148	3.9
131.08569	25.0
133.10158	22.3
135.08072	6.3
135.11693	15.9
137.09616	10.8
143.08571	5.3
145.10092	21.2
147.08052	7.5
147.11656	19.8
149.09633	14.0
153.12738	4.3
157.10130	17.2
159.11688	8.9
161.09668	6.7
161.13307	5.4
163.11203	32.1
165.09131	4.4
165.12793	8.1
169.39423	4.3
170.43889	4.9
171.11552	5.1
173.09668	6.4
175.11163	15.9
181.12225	5.7
189.11340	21.1
191.10725	6.5
193.12259	46.2
205.12164	5.4
211.13295	50.5
227.12750	26.6
229.14362	10.1
267.15948	20.2
269.17355	5.9
273.18488	32.7
275.20108	11.1
283.15430	33.4
285.16974	61.2
291.19562	61.9
309.20749	7.3
347.22232	10.5
349.23499	5.2
365.23288	28.9
383.24243	12.6
437.25461	11.6
451.26917	7.9
477.28598	20.0
539.33850	7.5
557.34772	22.7
575.35571	28.3
593.36731	13.4
628.36749	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3932
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05474	0.6
56.96495	14.6
56.96801	1.9
56.96973	0.6
65.49286	0.3
67.05426	1.4
69.07024	0.5
70.80834	1.3
71.95194	2.1
71.97580	0.4
72.95986	0.8
74.97530	1.2
79.05412	1.2
81.06977	1.5
83.08575	0.5
84.95939	1.4
89.01613	0.4
91.05412	1.3
92.98582	0.4
93.06942	1.1
95.08513	1.2
96.08785	0.3
97.96775	0.5
97.99142	0.6
98.97472	0.4
102.29003	0.4
105.06934	1.3
107.04917	0.4
107.08503	1.0
109.10078	0.9
110.97558	1.1
115.97753	0.7
116.98544	0.8
117.06937	0.4
119.08506	0.9
121.10086	0.6
122.10501	0.3
123.01086	0.5
125.09550	0.4
125.77187	0.4
128.98613	5.3
131.08492	0.6
133.10004	0.6
133.98816	0.7
134.99586	0.6
141.02180	0.7
145.10100	0.5
146.99648	9.7
147.03156	0.4
152.00037	0.6
155.03697	1.4
159.11676	0.5
161.01216	2.5
161.04802	0.9
165.00725	3.1
169.05115	0.5
170.01166	1.6
170.02437	0.4
175.02686	0.6
175.06384	0.4
176.03615	0.4
179.02145	1.1
189.04341	1.9
190.05032	0.4
191.05965	0.5
193.03958	0.6
194.04643	0.4
197.04776	0.4
198.00424	0.5
203.05830	1.7
208.06210	0.5
209.06770	0.4
211.06400	0.6
217.07375	0.9
222.04082	0.4
223.08440	0.5
227.09406	0.6
235.29022	0.4
241.11084	1.4
245.10646	0.5
252.10313	1.0
257.10641	0.5
259.12186	1.8
263.09540	2.8
264.10226	0.4
270.11313	1.4
277.11090	1.2
281.10556	1.5
283.12158	0.8
283.15396	0.4
286.11200	0.5
303.12869	1.9
313.14633	0.9
315.16287	38.4
316.16724	0.8
317.14349	0.6
321.13754	1.2
331.15915	2.4
333.17358	100.0
334.17706	2.7
349.16849	0.5
351.18427	63.6
352.18781	1.1
356.18976	25.4
357.19281	1.6
369.19611	2.2
374.20020	18.6
375.20505	1.1
392.21075	0.7
397.21832	1.3
529.37872	1.6
591.36945	2.8
609.38153	0.7
627.45569	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2812
Annotation	Red chlorophyll catabolite
Peak:m/z	Relative Intensity
55.01889	0.6
55.05504	1.1
57.84701	0.5
67.05506	2.5
67.26495	0.5
69.07065	0.9
69.73095	0.5
70.02155	3.1
79.05491	1.7
81.07048	2.7
83.04984	0.6
91.05465	1.9
93.07058	1.2
95.04981	0.7
95.08607	1.6
100.49973	0.5
105.07021	1.2
107.08613	0.8
109.10144	0.7
117.07057	0.5
119.08596	1.1
120.04466	0.8
131.07333	0.7
131.08580	0.8
133.10181	0.5
134.05960	0.5
135.08051	0.6
136.07565	1.0
138.09210	0.8
146.06026	0.7
146.09631	0.7
160.11232	0.6
169.08894	0.5
172.07547	1.0
174.09151	2.3
187.08627	0.6
187.12305	2.9
188.10742	1.6
210.09290	0.7
210.11429	0.6
211.08647	1.7
212.09528	1.3
213.10194	0.6
215.11774	2.7
222.11447	0.6
224.09526	0.7
225.10246	2.8
226.10896	0.9
227.11891	2.3
228.08855	0.7
235.08585	1.2
239.11819	1.8
241.13393	1.7
243.08772	0.9
243.11288	16.5
249.10292	1.3
250.11043	0.9
251.11797	1.1
253.09766	1.5
263.08224	0.7
265.09787	1.2
267.11331	6.0
267.14084	0.7
269.12921	1.5
277.09729	1.4
285.12415	2.3
291.11044	0.7
293.76349	0.6
295.10757	2.0
297.12436	0.7
299.14063	1.1
300.11520	1.0
301.15491	3.1
305.11633	0.6
309.12442	1.6
311.14099	0.6
314.13092	1.2
315.14124	0.6
316.11050	1.3
316.14465	1.2
319.10730	0.8
320.14139	0.7
325.15527	6.7
326.13043	0.6
327.13504	3.9
328.10870	1.4
328.14456	1.4
329.11642	1.2
330.12360	2.0
330.16068	0.9
331.13266	0.7
332.13934	0.7
334.15573	1.4
340.14267	0.7
342.12430	2.2
342.16177	0.7
343.13266	2.3
344.13934	2.1
344.17572	1.2
346.15640	1.7
348.13513	2.3
351.13297	0.9
356.13925	2.4
357.14804	0.9
358.15573	2.7
359.16476	0.7
368.13959	0.7
370.11685	0.7
370.15747	1.9
371.16705	0.8
372.17209	3.1
382.15469	0.6
384.17505	1.1
385.14349	0.8
386.14670	1.1
386.18829	1.6
390.18677	0.8
398.15048	1.0
400.16635	2.1
402.14410	0.7
403.15869	1.5
403.46710	0.6
404.16306	0.9
405.16159	0.5
416.15988	0.7
418.17520	0.8
420.16443	0.7
422.17499	1.2
430.17871	1.4
431.18881	1.2
432.19284	3.1
435.14578	1.7
435.19351	0.7
436.19769	1.0
437.19766	1.6
437.82281	0.6
444.19543	0.8
445.20605	0.6
446.21082	0.7
447.22461	1.2
448.15747	0.7
449.15741	1.2
450.16650	0.9
451.17139	1.1
460.18857	0.9
461.24030	1.3
462.23975	1.9
463.22342	2.5
464.22342	0.6
465.18906	9.1
466.19742	0.8
477.19290	1.0
478.20078	1.0
479.20428	4.2
480.21716	3.9
481.22229	2.9
489.22723	0.8
490.20047	1.0
491.20731	1.5
492.21606	1.7
493.23157	2.8
494.22824	0.7
504.21274	1.5
506.23322	0.8
507.23987	3.8
508.21490	1.3
517.22601	1.6
520.21045	1.3
521.25464	0.9
529.38483	0.9
535.23419	4.2
539.26837	0.6
541.24176	0.9
549.05707	0.7
549.24939	8.9
552.23846	0.6
553.24670	1.5
554.25037	0.6
567.26044	45.0
568.26440	2.0
577.24518	1.0
595.25458	32.3
596.25922	1.2
609.27472	0.7
627.28113	100.0
628.28607	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	627.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.0
65.03937	1.7
67.05506	7.1
70.54272	3.0
70.54662	3.4
72.95929	1.4
79.05489	4.6
81.07060	7.4
91.05486	5.0
93.07046	4.9
95.04950	2.0
95.08622	4.6
98.21478	2.0
105.07033	3.1
107.08613	2.4
109.10150	3.4
110.30650	1.6
119.08572	2.8
121.10172	2.6
131.08548	1.9
133.10101	1.5
135.11723	1.5
145.10153	2.6
147.11713	2.1
159.11623	2.1
163.11186	2.0
166.22429	1.6
174.09189	5.3
183.11868	1.4
187.12343	4.7
188.10680	2.6
212.09358	1.5
215.11829	4.1
225.10287	5.4
227.11958	2.8
235.08839	1.7
239.11861	3.0
241.13394	2.6
243.11292	30.9
243.13658	2.7
247.08725	2.4
249.10437	1.7
251.11856	2.9
253.09718	2.4
267.11325	8.1
269.12781	1.9
277.09857	2.4
285.12524	1.8
295.10806	3.0
299.14111	1.7
309.12244	1.5
314.13190	2.3
316.14459	1.8
325.15427	13.6
327.13589	2.8
328.10815	2.3
329.11618	3.7
330.12357	5.2
342.12381	4.9
343.13187	2.5
344.13950	6.0
345.14764	2.2
348.13480	6.5
351.13364	2.0
355.13049	2.0
356.14023	4.5
357.14911	2.7
358.15506	3.6
366.18283	1.8
370.15714	3.2
372.17139	6.1
384.17255	2.4
386.14667	2.5
386.19043	2.5
400.16736	3.7
403.15897	1.6
407.15192	1.9
420.16837	1.7
422.17526	1.9
430.17621	2.3
431.18875	2.2
432.19028	2.6
437.19727	3.1
447.21921	4.8
451.17200	1.9
461.23709	3.3
462.24402	3.0
463.22031	3.5
465.18906	16.7
477.19177	2.4
479.20706	7.1
480.21451	5.9
481.22415	4.9
490.21063	1.8
492.21521	3.7
493.22516	3.5
494.22556	1.9
507.23853	4.8
508.21460	2.5
517.22656	2.8
535.23309	10.2
549.24969	16.7
567.26025	94.8
577.24536	2.3
595.25531	100.0
627.28088	81.2
627.44562	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	626.3745
Annotation	Destruxin Ed1
Peak:m/z	Relative Intensity
50.37581	0.3
52.46981	0.3
53.03956	0.3
55.01861	1.4
55.05518	1.2
56.05043	1.9
56.66070	0.3
57.03181	0.5
57.03435	5.5
59.04984	0.4
60.04525	3.3
61.02922	4.1
65.03951	0.4
67.05505	4.7
68.05037	0.5
69.03426	7.3
69.07072	1.6
70.06594	3.1
71.01354	1.2
71.04977	0.8
71.58825	0.5
71.59208	0.4
72.04505	0.3
73.02917	25.2
79.05488	3.0
80.05014	0.4
81.03416	1.2
81.07058	4.9
82.06570	1.0
83.04946	0.5
83.08617	1.0
84.08133	1.2
85.02905	13.5
85.06548	0.7
85.47392	0.3
86.06059	0.8
86.09730	0.5
87.04480	1.2
89.02354	0.3
89.82472	0.3
89.95753	0.3
90.05551	0.3
91.03941	0.4
91.05479	1.5
93.07043	3.4
94.06578	0.8
95.04977	0.9
95.08610	4.4
96.08126	2.6
97.02892	6.3
98.09713	0.3
99.04477	0.8
103.03938	0.4
105.07034	1.0
107.08596	1.5
108.08098	0.5
109.02892	1.3
109.06554	0.4
109.10127	1.5
110.09705	0.9
112.07611	0.8
114.09142	0.9
115.03918	3.9
119.08591	0.7
121.10167	1.0
122.09715	0.4
124.11238	1.4
127.03927	3.3
130.08617	1.3
131.08611	0.7
133.04967	1.5
133.10147	1.1
135.04436	0.3
135.11699	0.4
136.11186	0.4
138.12793	0.6
140.10754	0.4
145.05005	1.0
145.10117	0.4
147.11676	0.4
153.01866	1.0
155.06993	0.5
173.13319	0.4
181.04895	0.5
182.15404	0.4
192.17490	0.5
208.20540	0.3
226.18050	0.5
234.22165	10.1
235.22536	0.7
236.19963	0.4
248.23723	0.9
252.23224	9.6
253.23651	0.4
260.23700	2.3
262.94763	0.3
266.24850	1.0
267.11963	0.3
270.24362	0.7
278.24792	12.2
279.25052	0.8
287.05493	17.6
288.05835	21.1
289.06110	1.4
296.25839	26.6
297.26245	1.4
302.07382	0.4
303.04919	1.7
314.26892	32.8
315.27271	1.3
325.07092	0.4
332.27951	33.3
333.28302	1.6
356.28101	0.4
361.00214	0.3
374.29105	0.5
410.29398	0.3
449.10934	2.1
450.11111	7.8
451.11496	0.8
454.18198	0.4
458.31427	0.6
464.32547	1.9
476.32431	1.6
493.79309	0.3
494.33243	14.2
495.33664	0.5
608.36255	2.7
626.15985	3.1
626.37433	100.0
627.15002	0.4
627.37817	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	625.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10878	0.9
53.03943	3.9
55.01881	5.3
55.05257	1.8
55.05514	19.7
57.03437	2.7
57.07073	1.9
65.03945	2.7
67.05506	40.2
69.03433	6.7
69.07071	24.9
71.04980	2.3
71.08686	1.2
71.58733	1.5
78.08371	1.1
79.05494	38.8
81.03430	3.7
81.07059	40.6
83.04985	3.6
83.08617	8.6
83.09485	0.9
85.02898	1.2
91.05486	25.8
93.06468	2.3
93.07047	39.0
95.04976	11.8
95.08611	23.1
97.02882	9.2
97.06528	4.3
97.10168	9.4
105.07033	18.6
107.04977	4.8
107.08603	19.3
109.02868	1.1
109.06535	7.7
109.10149	11.2
111.08094	2.0
116.06224	1.2
117.07025	8.2
119.08575	17.8
121.06506	2.2
121.10152	12.5
122.94267	1.0
123.04469	1.1
123.08093	2.8
123.11744	2.4
125.09636	6.2
128.06284	1.6
129.07056	2.9
131.08578	11.9
133.06505	2.3
133.10159	6.3
135.08090	3.3
135.11693	7.6
137.09659	2.1
143.08580	4.5
145.10101	9.3
147.08075	4.4
147.11702	5.5
149.09714	2.3
149.13271	3.6
157.10184	3.1
159.11699	5.4
161.09575	1.8
161.13272	2.3
163.11232	1.9
163.14897	1.0
165.09175	1.1
169.10182	1.4
171.10263	1.2
171.11742	2.5
173.13297	2.7
175.11201	1.8
183.11740	1.7
185.13342	2.2
187.11238	1.0
187.14848	1.4
189.11279	3.3
189.12793	1.4
195.13878	1.5
223.13307	12.7
227.12761	1.0
227.17992	1.2
237.29999	1.1
255.17604	1.3
259.20624	1.3
261.18451	1.0
261.22165	2.2
273.18494	16.4
273.24817	1.0
275.19986	1.1
291.19553	87.1
292.19925	1.4
317.24872	1.9
335.25909	3.2
347.22244	2.1
365.23337	2.1
527.37207	1.2
533.39716	1.9
607.43225	6.6
625.44678	100.0
626.44745	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	625.4461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.1
54.20488	1.4
55.01876	27.2
55.05514	18.9
57.03432	7.0
57.07078	3.5
65.03926	2.4
67.05505	41.7
69.03437	2.1
69.07072	61.6
70.58694	1.5
71.04982	3.6
71.60258	2.7
77.03923	1.9
79.05492	31.2
81.03412	5.5
81.07059	53.4
83.04974	6.0
83.08622	9.8
85.06560	2.8
91.05482	42.0
93.07047	32.3
95.01334	4.7
95.04969	8.8
95.08604	31.4
97.06531	30.7
97.10165	6.3
99.08105	3.6
105.07033	47.4
107.04951	11.6
107.08589	20.2
109.06552	4.0
109.10160	11.8
111.08035	2.5
115.05456	2.0
117.07024	17.2
119.08580	32.1
121.06547	3.5
121.10143	13.1
123.08126	4.5
123.11736	5.1
124.65844	1.7
125.09635	4.1
128.06242	3.1
129.07021	11.4
131.08565	31.3
133.06534	2.3
133.10135	28.1
135.08020	3.8
135.11700	12.7
137.09595	2.0
141.06998	3.7
142.07803	2.9
143.08554	19.0
145.10126	30.0
147.08098	1.8
147.11691	19.2
149.09647	6.8
149.13280	7.2
151.11249	3.6
155.08510	10.3
156.09296	2.4
157.10132	17.6
159.08177	2.5
159.11710	24.1
161.09647	2.9
161.13251	14.5
163.11276	3.1
163.14868	2.1
167.08575	2.9
169.10110	13.1
171.10223	2.8
171.11623	17.1
173.13271	12.7
175.14873	6.7
177.12746	4.0
179.14325	5.3
181.10155	7.3
182.10986	2.1
183.11716	9.7
185.13245	14.7
187.11229	3.1
187.14944	5.2
189.16441	1.8
195.11739	7.2
197.09634	1.9
197.13251	11.5
199.14815	10.2
207.11855	2.3
209.13283	5.5
211.14859	5.4
213.16505	2.5
215.17982	2.1
221.13335	3.1
223.14879	4.2
225.16458	2.8
227.18256	2.1
231.21219	2.2
235.14856	3.4
237.16475	2.0
239.18158	2.0
241.19513	12.5
247.20537	2.7
257.18964	6.3
259.20590	17.5
269.18942	1.9
273.18600	2.5
275.20108	32.6
277.21954	1.9
279.15942	2.0
291.19675	2.4
293.21402	2.5
295.20786	2.5
297.22269	2.3
313.21756	2.5
315.23203	3.6
331.22849	2.2
333.24255	16.2
349.23734	23.1
393.27975	2.3
419.33307	4.1
421.31363	2.2
428.75726	1.8
435.32745	6.3
437.34137	15.7
445.30264	1.9
453.34921	2.1
463.32355	2.5
493.36856	2.6
497.36832	2.2
501.35925	4.3
509.36206	3.1
511.37836	16.0
513.35883	5.4
515.39093	6.1
524.22302	1.9
527.37524	7.4
529.39050	7.7
533.40009	10.3
551.41003	7.1
555.36755	4.0
556.37732	3.3
589.43774	2.3
597.44312	2.4
607.43481	60.6
608.44037	4.8
625.44727	100.0
626.45111	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	625.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.1
53.03932	4.0
55.01623	1.6
55.01868	24.0
55.05505	24.5
57.01333	0.8
57.03436	7.9
57.07056	3.0
65.03930	2.3
67.05500	50.0
69.03430	1.3
69.07063	59.0
69.34909	1.5
69.35307	9.0
71.04977	3.9
71.08630	1.9
77.03919	1.3
79.05489	39.5
81.03414	5.0
81.07050	60.5
83.04975	8.7
83.08614	12.5
85.06531	1.9
88.70169	1.0
91.05472	46.4
92.05804	0.9
93.07037	42.7
93.07630	2.1
95.01316	3.9
95.04975	10.7
95.08599	42.3
97.06522	29.4
97.10169	6.8
97.73399	1.0
98.98429	1.1
99.08086	1.9
101.54733	0.9
103.05470	1.3
103.68129	0.8
105.07024	51.2
107.04941	11.5
107.08589	25.0
109.06510	3.4
109.10140	16.8
111.08071	2.4
113.06027	1.1
115.05424	2.2
117.07005	21.0
119.08571	38.7
121.06506	4.0
121.10133	16.4
123.08072	5.4
123.11707	3.3
124.42134	0.9
125.09612	5.0
128.06203	4.4
129.05533	1.3
129.06987	14.7
130.07794	2.4
131.08559	34.5
133.06454	2.4
133.10117	33.9
133.11079	2.1
135.08026	3.7
135.11673	10.7
137.09608	3.2
137.13289	1.2
139.11147	1.5
139.31242	0.9
141.06958	6.7
142.07726	4.6
143.08553	19.0
144.09283	1.6
145.06476	3.7
145.10115	31.3
145.11269	1.9
147.08018	2.7
147.10509	1.1
147.11676	23.1
149.09631	6.7
149.13290	7.0
151.11186	2.2
154.07784	1.8
155.08549	13.0
157.10110	19.2
158.07378	0.9
159.08092	1.9
159.11685	22.9
161.09618	3.2
161.13240	14.5
163.11201	5.9
163.14841	2.3
165.07043	1.9
165.08952	0.8
165.12810	1.7
167.08542	4.9
168.09410	1.7
169.10121	18.4
170.10756	1.2
171.10164	2.2
171.11659	18.4
173.09613	1.8
173.13252	14.9
175.11209	3.0
175.14824	6.7
177.12759	3.8
178.34076	0.9
179.08492	2.0
179.14294	3.5
180.09399	1.2
181.10117	6.1
183.11671	14.4
185.09593	1.2
185.13263	14.2
187.11180	2.6
187.14792	7.1
189.12775	2.1
193.10121	2.9
194.10739	1.0
195.11691	8.4
195.13304	1.3
197.13226	10.6
198.13870	1.0
199.11151	1.8
199.14780	6.7
201.12785	1.1
201.16298	2.7
203.14398	1.5
205.10309	1.2
205.12227	1.3
207.11717	3.2
209.13248	7.4
211.14818	5.7
213.12741	0.9
213.16428	3.7
215.17998	3.0
217.15932	1.0
217.19543	1.4
219.11732	1.5
221.13277	3.6
223.14740	5.2
225.16341	4.4
227.17972	2.5
229.19392	1.5
231.17438	2.0
231.21094	1.3
233.13258	2.2
235.14752	1.9
237.16388	3.8
239.14330	1.2
239.17984	4.3
241.19485	11.0
243.21191	1.2
245.19237	1.0
247.20593	1.9
249.16359	1.4
251.17929	2.7
253.19791	1.6
255.17416	1.4
257.18942	6.6
259.20575	16.2
263.17722	1.4
263.20154	1.7
265.19507	2.0
267.21210	1.2
273.18521	4.9
275.20047	26.9
276.20557	1.3
279.21207	1.2
283.20587	1.3
285.22055	2.3
291.19562	2.9
293.21213	3.2
297.22031	2.3
299.23553	1.3
311.23663	1.9
313.21616	1.3
315.23245	5.3
321.22009	1.1
327.23441	1.0
333.24228	15.9
339.23108	1.4
341.24957	1.3
349.23697	24.8
353.24753	1.3
355.26337	1.1
361.24890	1.1
363.26865	1.1
365.28491	1.3
389.28159	0.9
409.30893	2.4
417.31445	1.8
419.33185	3.0
421.31137	2.0
435.32657	5.4
437.34106	12.8
445.30585	1.7
453.33606	1.8
463.31863	1.5
475.35587	1.4
483.34601	1.4
493.36758	2.3
495.34744	1.6
497.37662	1.4
501.35577	3.3
509.36569	2.6
511.37698	11.3
513.35767	9.1
515.39270	5.8
527.37286	9.2
528.37512	1.5
529.38953	4.6
533.39966	9.2
537.35162	1.2
551.41174	7.1
555.36694	3.4
556.37573	2.5
565.24670	1.3
589.42365	2.8
597.45087	2.2
607.43530	64.0
608.44153	2.8
625.26447	3.2
625.44550	100.0
626.45300	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	625.4463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	3.4
55.01871	6.9
55.05509	21.3
57.03439	8.9
57.07071	4.2
58.03016	2.1
60.92026	1.9
65.03943	2.4
67.05500	47.5
69.07067	23.3
70.57093	3.7
70.57474	4.9
71.04998	4.8
79.05499	34.8
79.08659	2.2
81.03413	4.7
81.07051	46.9
83.04988	4.9
83.08597	13.3
85.06569	2.8
86.63253	2.1
91.05473	39.9
91.06002	2.6
93.07046	37.8
95.04973	8.2
95.08603	32.7
97.06538	9.4
97.10178	8.4
99.08094	2.3
105.07025	29.6
107.04970	3.9
107.08604	24.1
109.06547	7.8
109.10178	13.4
111.08117	2.7
115.05436	2.5
117.07018	16.9
119.08585	26.7
121.06511	3.7
121.10131	14.3
123.08122	2.7
123.11706	5.0
125.09599	2.9
129.07013	12.4
131.08568	21.9
133.10114	20.8
135.08058	5.0
135.11714	11.8
137.09619	3.3
141.07034	5.0
143.08575	15.4
145.06509	2.6
145.10124	22.6
147.08107	2.5
147.11690	13.1
149.09650	5.9
149.13310	4.1
155.08574	11.2
157.10153	16.7
159.11668	14.2
161.09634	3.8
161.13272	7.6
163.11275	3.9
169.10104	12.8
171.11700	13.9
173.13274	9.1
175.11230	3.4
177.12764	3.5
181.10210	7.1
183.11707	11.4
185.13290	7.5
187.14899	6.2
193.10266	4.1
193.28955	2.1
193.30693	2.5
195.11845	6.6
197.13321	8.3
199.14857	3.8
201.16412	2.9
207.11775	3.0
209.13269	4.2
211.14923	5.3
213.16376	5.0
214.93361	2.2
219.17522	3.3
223.14859	2.7
225.16367	4.0
229.15907	2.6
233.13237	2.2
235.14993	2.7
237.16335	2.9
239.18082	3.8
241.19630	6.0
253.19615	2.7
259.20596	4.4
271.20642	3.0
273.18506	4.6
275.20190	8.8
283.20657	2.7
291.19629	3.8
315.23492	2.6
349.24051	5.3
355.22650	2.2
373.27499	2.2
421.31232	2.9
513.35785	10.5
515.39093	4.3
527.37341	11.0
533.39850	8.7
551.41101	7.7
607.43292	44.0
625.44592	100.0
626.44476	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	625.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03406	0.1
58.60074	0.1
61.02918	0.1
67.05473	0.1
68.99828	0.1
69.03389	0.2
69.07039	0.1
70.06551	0.2
71.59330	0.1
73.02890	0.2
81.03398	0.1
81.07011	0.1
84.08116	0.1
85.02889	0.6
86.09703	0.2
92.18900	0.1
97.02845	0.2
105.17888	0.1
109.02882	0.1
109.10140	0.2
112.99259	0.1
121.02827	0.1
127.03882	0.2
135.04425	0.7
137.02327	0.3
137.05968	0.1
145.05031	0.1
153.01830	2.5
161.02315	0.2
171.02888	0.5
179.03404	0.2
195.88615	0.1
220.18222	0.1
229.18600	0.1
241.04919	0.2
245.04402	0.2
250.21667	0.1
258.05371	0.2
259.05954	0.1
263.05545	0.1
269.04407	0.3
286.04691	0.6
287.05493	100.0
288.05823	1.5
301.07004	1.7
312.25223	0.1
330.26654	0.1
449.10806	31.7
450.11145	0.6
463.08008	0.6
624.35864	0.1
625.13983	10.6
625.35944	0.3
626.14392	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1396
Annotation	Kaempferol 3-glucuronide-7-glucoside
Peak:m/z	Relative Intensity
51.20850	0.1
53.03934	0.1
54.73717	0.1
55.05482	0.3
56.96525	0.2
59.77634	0.1
61.02896	0.5
62.47323	0.1
62.93467	0.1
67.01849	0.3
67.05470	0.3
68.99770	0.2
69.03387	0.5
69.07028	0.2
69.46050	0.4
69.46873	1.4
70.06569	0.3
71.04976	0.8
73.02880	0.4
77.87808	0.2
79.05463	0.2
81.03414	0.3
81.07019	0.4
83.04963	0.4
84.08118	0.1
85.02905	1.8
86.09675	0.2
91.03925	0.2
91.05462	0.2
93.07027	0.4
97.02842	0.5
98.97549	0.2
99.04421	0.2
105.07003	0.2
107.08553	0.2
109.02869	0.3
111.04392	0.3
112.43829	0.1
116.98625	0.2
120.08047	0.2
121.10114	0.3
127.03874	0.4
129.05441	0.2
135.04398	0.7
136.07541	0.1
137.02338	0.3
145.04866	0.2
145.10120	0.2
153.01820	2.4
161.02325	0.3
171.02832	0.6
177.00664	0.2
193.01242	0.2
227.12802	0.2
241.05110	0.2
245.04497	0.3
283.15433	0.2
286.04660	0.3
287.05490	100.0
288.05795	1.8
301.07147	1.1
301.16415	0.2
312.25491	0.2
313.07233	0.2
330.26404	0.3
343.08301	0.2
449.10797	28.6
450.11087	0.8
463.08069	0.8
606.35284	0.3
607.12866	0.5
607.35101	0.3
624.35767	0.5
625.13934	8.8
626.13843	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.14
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03924	0.1
58.10829	0.1
66.94508	0.1
67.01838	0.2
68.99791	0.2
70.06554	0.1
71.32822	0.1
72.55016	0.1
73.02866	0.1
81.03413	0.1
85.02876	0.2
86.09685	0.1
93.07026	0.1
94.64825	0.1
117.03367	0.1
127.03876	0.1
135.04407	0.7
137.02318	0.2
153.00558	0.1
153.01820	2.2
161.02319	0.2
171.02885	0.3
179.03351	0.1
241.04912	0.2
245.04300	0.1
259.05975	0.1
263.05621	0.1
269.04410	0.2
269.12732	0.1
286.04550	0.1
287.05487	100.0
288.05820	1.3
312.25430	0.1
330.26608	0.1
449.10800	9.1
450.11008	0.1
463.08704	10.4
464.09415	0.1
624.35760	0.1
625.13965	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	624.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.9
55.05499	1.8
57.03445	2.0
59.32409	0.8
60.04532	11.6
67.05497	2.6
69.03417	2.8
69.07066	2.5
70.06593	100.0
71.04978	2.0
71.61047	1.3
72.08161	4.1
73.02911	3.1
75.04485	1.9
76.04829	0.7
81.07044	1.7
82.06553	1.1
83.04961	1.6
84.08132	3.3
84.53552	0.8
85.02900	6.0
86.09706	23.2
87.04470	0.9
91.05479	8.7
93.07041	1.8
95.04968	0.8
95.08616	2.4
97.02866	1.3
97.06482	1.0
103.05451	2.1
105.06995	1.5
107.08580	1.7
109.10170	1.0
111.04327	1.9
112.07578	1.1
115.08691	1.2
117.05804	1.0
118.05715	1.0
118.06546	15.3
119.07340	2.2
120.08107	10.5
121.06491	0.9
125.07134	2.1
127.03921	0.9
129.10217	1.5
130.06458	1.3
136.07623	7.6
137.06036	1.3
137.07082	13.6
138.07880	2.4
139.08624	2.2
140.10732	1.7
141.10216	0.9
146.06010	36.3
152.08258	2.1
153.08972	8.6
157.09726	18.2
157.10965	0.5
162.05557	1.3
164.07016	1.4
165.05406	1.1
168.09016	1.8
172.11198	6.2
174.12790	0.9
182.08107	1.6
184.10753	1.7
185.09248	8.5
197.10666	1.5
199.12282	1.6
203.54948	0.9
212.12036	1.0
216.12703	1.1
217.13303	1.1
223.07530	1.1
225.10161	1.0
231.14903	6.3
236.10846	1.4
240.11237	1.4
241.09604	0.9
243.11107	1.0
254.12830	2.1
256.00891	1.1
256.14471	1.9
258.12317	1.9
259.14432	23.4
261.08557	1.0
264.23190	1.3
265.08673	1.0
266.12808	1.3
270.11401	1.7
271.06042	3.7
272.06421	2.0
275.13889	4.5
280.26288	1.1
282.11551	1.8
284.13861	1.6
286.15466	9.6
287.05499	5.8
294.12302	2.0
294.15527	0.9
294.24353	1.5
295.16574	4.1
296.25839	2.5
298.27328	5.7
300.13538	4.1
304.16452	1.0
312.13400	8.0
312.25278	4.2
314.26898	1.1
316.28500	6.6
319.57028	0.9
321.14355	3.6
330.14484	67.6
330.26395	5.0
383.19644	1.3
395.19696	1.0
440.21872	6.3
478.33777	3.1
511.21591	1.3
514.41443	0.9
537.26849	3.5
552.34991	1.5
570.36005	2.5
588.37476	2.2
606.27368	1.8
606.36841	1.3
624.30017	24.0
624.38379	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.343
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67646	2.4
53.03950	6.9
55.01864	8.7
55.05515	27.4
57.03439	11.8
65.03925	4.6
67.05505	53.4
69.03435	15.7
69.07072	16.1
69.52386	20.6
71.04997	11.0
72.22831	2.5
76.24222	2.9
79.05491	46.8
81.03419	100.0
81.07057	69.6
83.04984	26.1
83.08616	22.0
85.02906	24.8
85.06558	3.7
91.05477	43.3
93.07048	52.7
95.04971	29.8
95.08609	24.5
97.02882	12.1
97.06541	14.2
97.10176	9.5
99.04451	8.3
105.07034	26.8
107.04963	11.4
107.08610	27.0
109.02885	16.0
109.06527	9.9
109.10181	10.7
111.04456	10.5
111.08102	9.9
113.06022	2.4
117.07024	12.9
119.08584	26.8
121.02873	2.5
121.06519	6.6
121.10149	14.1
123.04391	3.3
123.08053	2.7
123.11703	6.0
125.09653	4.1
127.03937	11.2
129.07010	11.8
131.04968	3.0
131.08572	18.6
132.81813	2.8
133.06487	4.6
133.10127	20.6
135.08046	6.6
135.11719	8.2
135.68146	2.3
137.09624	3.4
142.07784	3.0
143.08600	6.4
145.06490	3.3
145.10132	8.8
147.08040	5.1
147.11710	17.5
149.09633	7.6
149.13275	8.6
153.09038	3.5
155.08560	6.9
157.10165	14.2
159.08009	4.2
159.11729	9.2
161.09619	3.4
163.11159	6.1
165.12808	5.9
169.10124	3.9
171.08128	2.5
173.04503	7.1
173.09712	3.0
173.11703	2.4
175.11179	12.8
177.12772	4.2
181.12244	3.9
193.12224	26.6
195.12114	2.2
195.13844	10.9
197.71590	2.5
199.06210	3.1
201.12932	2.6
211.13280	36.4
213.14824	3.1
213.57936	2.7
227.12790	4.3
229.14359	3.6
257.15247	2.7
261.33588	3.1
261.64197	2.6
267.15826	16.7
269.17490	14.3
275.20206	5.1
285.17032	9.9
291.19824	3.0
296.65390	2.4
301.14240	2.7
321.17023	4.9
339.17917	6.1
355.17395	3.7
369.24280	3.5
377.19730	3.8
395.20743	8.1
411.20230	4.2
443.27911	9.4
461.28912	31.3
479.30154	17.9
587.31616	5.5
597.74591	2.8
605.33252	15.7
623.34131	97.3
624.34875	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	623.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68999	0.3
54.99656	0.4
55.05499	0.4
60.53606	0.3
67.05504	0.8
70.73801	0.9
79.05456	0.4
81.07044	0.8
91.05484	0.8
93.07041	1.0
95.08611	0.5
105.07007	0.5
119.08661	0.6
147.18761	0.4
147.48277	0.4
158.95227	0.4
206.32903	0.4
224.13258	0.4
327.25555	0.4
389.17816	0.7
390.18030	0.4
391.19296	1.3
401.18179	0.5
402.18466	0.5
403.19464	1.9
404.20023	0.8
405.20798	1.9
407.22272	0.8
415.19409	1.1
416.20026	0.5
417.16455	0.8
417.20892	1.2
417.25940	0.4
418.17328	0.6
419.17731	0.6
419.22995	2.2
420.23120	0.8
421.24176	0.5
430.18015	1.4
431.17844	1.7
432.19028	0.5
433.20230	5.7
434.20724	0.8
435.21793	0.5
443.18765	1.5
444.19537	1.3
445.19968	3.3
446.21231	2.1
447.21994	3.2
448.22842	0.8
449.23349	0.7
457.20206	0.6
458.21066	5.9
459.21652	4.0
460.22787	3.6
461.19647	0.7
463.21149	2.0
472.22589	0.4
473.23608	0.6
475.21216	0.7
476.22110	1.0
477.22937	1.5
491.25269	0.4
504.25565	0.5
505.22092	0.4
505.26480	0.5
517.22589	0.8
518.23126	4.6
519.23798	0.7
521.21881	1.5
530.23352	0.8
531.23749	0.5
533.25415	7.0
534.25964	0.5
535.27972	2.0
545.25879	1.9
546.26227	0.8
549.24731	0.4
563.26404	3.9
564.27106	0.4
573.25165	1.2
605.27570	11.4
606.28076	0.7
623.28638	100.0
624.29236	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
69.42861	11.4
69.43286	8.6
80.37537	2.2
92.50448	2.1
98.20771	3.6
119.91122	2.1
212.35191	2.3
309.89667	2.1
332.36862	2.1
376.64749	2.3
405.20624	2.9
415.18851	2.5
447.17761	3.3
459.21811	2.6
460.23022	2.7
461.19928	6.3
475.21149	4.2
476.22128	9.3
485.23495	10.4
485.35510	2.4
486.20218	2.9
503.24680	7.3
515.24695	7.1
521.25464	7.1
531.23871	15.6
549.25116	12.2
559.23712	8.2
563.27014	3.9
591.26202	31.1
623.28705	100.0
624.29071	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	621.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.0
55.01881	10.7
55.05259	2.1
55.05508	25.1
57.03428	12.8
57.07070	2.4
61.02926	1.9
65.51813	1.4
67.05499	41.6
69.03415	17.6
69.07063	14.3
71.01355	3.3
71.04985	8.2
71.08627	2.0
71.59964	2.1
73.02900	2.4
79.05492	43.5
81.03414	100.0
81.07055	42.9
83.04985	18.8
83.08620	24.2
85.02899	29.7
85.06560	2.5
87.04489	2.4
89.03950	1.4
91.05478	45.5
93.07045	30.0
95.01373	2.3
95.04969	59.6
95.08606	17.3
97.02888	13.9
97.06532	5.4
97.10168	14.9
99.04459	4.4
99.08076	3.1
103.05454	4.7
105.06380	2.8
105.07031	35.0
107.04956	18.7
107.08590	19.8
109.02889	13.2
109.06516	11.7
109.10158	10.9
111.04429	11.2
111.08070	8.3
113.05995	2.1
115.05458	4.9
116.06275	1.8
116.10707	8.2
117.07005	17.2
117.11015	2.1
117.31199	1.7
119.04927	5.2
119.08582	26.0
120.08092	7.2
121.02879	3.2
121.06485	12.1
121.10146	16.0
123.04408	14.4
123.08085	5.8
123.11703	3.8
125.05987	2.7
125.09635	11.5
127.03912	8.1
128.06265	2.8
129.05504	2.2
129.07024	17.7
130.07883	1.5
131.04922	9.6
131.08574	17.3
133.06487	8.4
133.10133	14.2
135.04431	2.8
135.08052	6.4
135.11650	9.6
137.05984	4.8
137.09616	3.5
139.03868	1.6
141.07001	4.4
142.07790	4.1
143.08528	7.3
145.06471	14.2
145.10127	11.1
147.04413	10.0
147.08047	10.2
147.10632	2.1
147.11679	16.1
149.05992	5.8
149.09596	10.1
151.03935	1.3
153.09206	2.8
153.12764	2.0
155.08524	7.1
155.16280	1.7
157.06506	6.4
157.10095	11.5
159.08086	5.9
159.11740	4.1
161.06001	6.7
161.09625	6.7
161.13223	3.2
163.03880	1.8
163.11151	13.2
165.09160	4.0
165.12796	4.3
167.08577	2.8
169.06529	2.8
169.10173	3.8
171.04428	3.8
171.08058	5.8
171.11710	4.7
172.07603	1.4
173.04475	5.5
173.06009	7.5
173.09676	4.6
173.13272	1.9
175.03918	2.2
175.07494	3.3
175.11154	12.6
177.12685	3.3
181.06587	2.8
181.10071	1.6
181.12238	3.7
181.13754	1.5
183.08044	3.3
183.11667	2.2
185.06024	3.9
185.09586	3.6
185.13289	3.2
187.07585	4.4
187.11105	3.2
189.05516	5.7
189.09174	2.7
189.11206	4.8
189.12802	5.5
191.07031	2.0
191.10675	3.6
193.12234	29.2
195.08063	1.8
195.11665	1.7
196.16864	2.5
197.17294	2.2
199.07588	2.8
199.11101	1.8
200.08369	1.4
201.09303	2.2
205.12289	5.5
207.11754	1.8
207.13754	1.7
208.72212	1.7
209.09723	2.8
209.13365	2.5
211.13269	36.0
213.09200	1.6
213.12729	2.7
214.18019	34.1
215.18372	20.0
217.12268	3.1
219.13914	1.9
223.11310	2.5
223.13345	4.3
225.12900	1.6
227.12572	7.1
227.14674	1.8
233.15419	1.9
235.13263	10.1
237.12744	1.9
239.14461	2.2
241.12314	2.2
243.13867	3.1
245.15633	2.6
247.13422	2.8
249.14941	5.6
255.13799	5.0
257.15533	1.8
259.13336	3.3
261.14883	1.9
267.15921	19.8
271.13477	3.5
273.14902	19.7
277.14383	4.1
279.16187	1.9
283.13162	4.0
285.17151	10.3
287.16409	2.0
289.14563	4.6
291.15979	2.8
301.14310	26.8
303.16159	3.7
309.16995	3.4
319.15317	16.0
323.16483	2.4
337.16559	4.8
341.17575	2.0
341.21487	2.2
357.17218	3.9
357.24304	2.5
359.18600	1.9
360.23923	3.2
361.24283	4.5
367.22702	5.9
375.18082	12.4
376.23245	1.7
377.23770	4.3
385.23526	7.3
393.19128	6.4
403.24640	5.7
409.23721	3.7
411.19998	3.3
433.25662	4.0
441.26248	3.0
447.25305	1.7
451.24719	2.3
458.31012	2.3
459.26923	16.5
465.27017	2.1
475.25082	3.7
477.28455	5.2
483.27902	2.3
493.26031	4.0
495.29044	2.0
501.28561	6.4
511.26672	4.6
523.29504	2.5
525.28479	2.6
529.27936	2.7
539.30121	2.2
543.29279	4.8
547.27643	1.6
555.29871	1.7
561.30328	2.1
567.29474	12.1
573.30646	4.8
585.30579	28.4
593.27704	1.8
603.31549	33.0
621.32526	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47432	1.5
53.03943	8.2
55.01870	10.1
55.05516	21.5
57.03437	10.9
61.02914	2.5
62.06461	1.6
67.05506	36.7
68.99798	2.1
69.03425	17.3
69.07076	13.8
69.28245	11.2
69.28673	7.5
70.06597	2.8
71.04996	6.6
71.08630	1.8
72.08144	4.0
73.02916	3.8
79.05499	42.9
81.03420	94.4
81.07062	45.7
81.07525	3.7
83.04990	15.4
83.08623	23.5
85.02904	29.2
85.06563	4.9
86.06043	1.8
86.09702	4.5
91.05482	46.9
92.21815	1.6
93.07045	30.5
93.16365	1.8
94.06590	2.2
95.01349	3.1
95.04969	55.2
95.08611	22.4
97.02887	19.6
97.06541	9.5
97.10172	11.9
99.04482	5.3
99.08062	1.8
103.03931	2.1
103.05507	4.0
105.07027	32.2
106.06551	2.2
107.04957	17.8
107.07349	14.0
107.08576	19.0
108.07654	2.5
109.02882	18.6
109.06518	10.9
109.10164	12.5
111.04443	14.0
111.08080	8.3
113.05985	2.8
115.05456	4.9
116.10728	2.8
117.07054	12.5
119.04960	5.6
119.08586	30.2
120.08112	29.1
121.02848	2.2
121.06503	12.6
121.10133	19.0
122.06021	2.7
122.09673	100.0
123.04433	15.4
123.08064	9.3
123.09992	17.4
123.11703	4.6
124.07611	5.6
124.10352	2.4
125.06004	4.6
125.09657	9.9
127.03902	11.9
128.06253	2.4
129.07037	11.9
131.04942	8.0
131.08554	17.8
133.06523	10.4
133.10123	13.8
135.04396	4.2
135.08057	8.0
135.11691	7.5
136.07581	2.4
137.05989	5.9
137.09665	3.2
138.09171	3.3
141.06993	3.5
142.07819	2.9
143.08559	7.8
145.04982	2.2
145.06479	10.0
145.10115	14.2
147.04398	8.2
147.08031	10.4
147.09082	2.0
147.11667	19.5
149.05977	6.5
149.09616	10.0
150.09114	15.7
151.07544	4.7
151.09488	2.8
151.11275	2.0
153.09102	3.8
153.12755	2.8
154.07663	2.1
155.08543	4.3
157.06549	3.0
157.10112	13.9
159.08064	5.2
159.11681	3.8
161.05991	6.1
161.09633	7.1
163.04005	2.0
163.07521	2.1
163.11177	11.7
164.07098	3.8
165.09056	2.6
165.12793	5.5
166.08719	3.9
167.08446	1.8
169.06577	1.9
169.10098	4.1
171.04419	2.8
171.08072	4.6
171.11728	3.5
173.04498	5.2
173.06038	7.5
173.09668	5.1
173.13243	2.7
175.07491	2.5
175.11217	10.0
177.12744	1.8
179.08650	2.8
181.06538	1.9
181.09996	3.8
181.12267	3.3
183.07985	2.3
183.11534	4.9
185.05963	2.1
185.09656	2.1
185.13298	2.3
187.03973	2.7
187.07587	4.2
187.11139	2.7
189.05493	7.5
189.09140	2.5
189.11203	5.0
189.12825	5.0
191.10690	4.8
193.09941	4.8
193.12273	30.2
197.09560	1.9
199.07617	2.4
199.11227	2.9
202.08824	2.4
203.14346	2.4
204.10280	1.9
205.10388	2.1
205.12271	4.6
207.13960	2.9
209.09598	3.0
209.11530	2.2
211.11281	4.1
211.13252	35.7
213.12836	2.6
214.18048	4.3
215.18330	2.6
217.09818	2.9
219.13748	2.5
223.13222	3.5
227.12753	7.2
227.14656	2.0
230.08182	2.7
231.13893	2.0
233.15332	2.4
235.11272	2.3
235.13177	10.3
243.13785	2.3
248.09180	2.5
249.14915	4.2
255.13927	6.6
259.10590	2.3
259.13223	3.8
261.08752	11.7
261.14960	1.9
262.09018	6.2
263.09747	1.8
267.15891	18.0
273.14838	18.8
277.14221	4.1
281.12411	1.8
285.17081	10.1
286.10623	1.9
289.14447	2.6
299.13837	3.1
301.14331	29.7
303.16092	3.9
307.12854	3.6
309.17026	2.1
316.21219	2.5
319.15396	13.6
325.11642	3.0
326.12070	3.6
327.12561	2.4
334.20322	1.6
337.16528	4.1
341.21164	2.0
350.98541	1.8
355.17688	3.9
360.23444	2.2
367.22928	4.1
375.18051	9.4
385.23822	7.1
393.19174	7.4
399.25125	2.0
400.18600	7.6
403.24939	5.0
409.23840	2.7
411.20010	3.9
423.25092	1.9
433.25565	2.1
441.26379	7.3
446.21143	2.4
447.25378	2.0
456.20255	2.3
457.17432	2.0
459.27173	21.4
460.28250	1.8
466.18875	2.5
472.20474	13.0
476.51907	1.8
477.28305	5.4
493.25931	2.4
501.28516	7.4
511.26904	4.8
513.28308	3.2
525.28717	2.4
527.16016	1.8
529.27448	5.8
539.30103	2.0
543.29797	4.7
549.28217	2.9
561.30695	1.9
567.29791	9.0
573.30072	6.2
575.27777	4.9
585.30560	29.8
593.28125	6.9
603.32263	27.4
621.32990	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	621.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	2.4
53.03955	8.5
55.01884	9.1
55.05513	26.7
57.03442	12.0
59.05001	1.8
65.03143	1.5
65.03448	1.9
65.03931	3.9
67.05510	39.0
67.05870	2.2
68.05824	1.4
69.03426	18.0
69.07076	13.2
71.01338	1.5
71.05005	9.8
71.05344	1.9
71.08649	1.9
73.02905	2.8
79.05492	38.4
81.03422	100.0
81.07060	36.6
83.04986	18.0
83.08620	22.5
85.02906	28.3
85.06544	4.2
86.06097	1.6
86.78023	1.4
90.48376	1.4
91.05487	44.7
93.07048	30.5
95.01344	2.0
95.04360	3.3
95.04974	59.7
95.08611	20.6
97.02892	17.8
97.06548	7.0
97.10172	15.0
99.04465	5.3
99.08102	3.3
103.03964	3.5
103.05474	4.2
105.07036	30.6
107.04955	20.0
107.08601	16.7
109.02878	11.8
109.06500	10.0
109.10168	13.9
111.04446	9.7
111.08079	7.1
113.06032	2.3
115.05491	4.4
116.10732	8.0
117.07025	13.5
117.11089	2.9
119.04955	4.9
119.08593	29.0
120.08134	8.9
121.02898	4.0
121.06538	11.2
121.10150	14.4
122.09710	2.3
123.04436	12.9
123.08076	7.1
123.11698	3.6
125.02312	1.6
125.06024	2.1
125.09618	12.8
127.03905	9.5
127.40761	1.3
128.06262	3.4
129.05560	1.9
129.07014	21.8
131.04903	8.1
131.08588	17.3
133.06480	11.2
133.10133	13.1
135.04431	4.2
135.08110	6.8
135.11736	9.3
137.05997	4.6
137.09637	3.2
139.03949	1.5
141.07024	5.7
142.07814	4.2
143.08563	8.9
145.06520	11.3
145.10129	11.3
147.04388	9.6
147.08051	10.7
147.11682	17.1
149.06000	5.8
149.09590	11.3
151.07535	2.7
153.09160	3.3
153.12741	1.7
155.08563	4.8
157.06493	7.0
157.10129	13.8
159.04480	1.6
159.08087	5.1
159.11708	5.3
161.06004	8.1
161.09663	5.9
161.13249	1.9
163.03979	2.9
163.11180	14.2
165.09097	2.9
165.12772	5.3
166.07765	1.5
167.08559	3.0
169.06535	3.4
169.10098	3.7
171.08075	6.6
171.11703	3.4
173.04543	3.1
173.06030	6.0
173.09698	5.7
175.03891	2.3
175.07574	1.4
175.11185	11.1
177.12746	2.9
181.06589	2.4
181.12241	2.8
183.08095	2.8
183.11740	2.2
185.05922	3.1
185.09695	2.1
185.13283	2.9
187.07616	5.0
187.11128	2.6
189.05470	6.9
189.09155	1.8
189.11246	4.4
189.12720	3.4
191.10741	4.0
193.10381	2.2
193.12254	30.5
195.11652	3.3
196.17030	2.0
197.06091	1.8
199.07625	3.0
199.11208	2.6
201.05534	1.6
203.10739	1.6
205.10309	1.7
205.12268	4.0
207.11894	1.6
207.14035	2.3
209.13330	2.5
211.07642	2.1
211.11281	3.3
211.13289	29.9
211.15221	2.0
213.09091	2.8
213.12849	1.5
214.18040	27.7
215.14481	1.7
215.18408	17.5
217.12234	3.4
219.11713	1.4
219.13899	1.6
223.13240	3.6
226.06308	1.5
227.12593	8.1
231.13937	2.2
235.13287	8.7
243.13829	2.5
245.15427	1.9
247.13298	2.8
249.14980	5.6
255.13855	4.1
257.15417	3.1
259.13364	3.9
265.14484	1.7
267.09012	1.8
267.15985	16.6
271.13385	2.7
273.14914	18.3
277.14395	4.1
283.13309	5.4
283.15958	1.8
285.10077	2.4
285.17041	10.6
289.14465	4.7
291.15894	2.2
301.14325	23.6
302.41507	1.7
309.17035	2.9
319.15445	10.3
337.16467	5.5
355.17371	1.4
357.16821	2.3
357.24390	2.8
361.24069	3.1
367.22806	2.0
369.19156	1.6
375.18204	8.2
376.23453	3.4
377.24014	2.4
385.23816	6.5
393.19025	5.3
403.25040	2.6
409.24121	2.3
411.20053	2.6
433.25751	3.0
441.26370	3.0
452.21634	1.9
457.25043	1.5
458.30637	1.9
459.26764	13.7
459.32883	2.8
475.25061	1.8
477.28607	6.2
483.27405	2.9
493.25848	4.6
501.28369	6.0
511.26770	2.9
513.28522	2.9
519.29974	2.0
525.28845	2.4
529.27899	3.9
539.29871	2.6
543.29706	4.0
547.28967	2.4
549.28516	2.3
555.29071	3.0
557.31360	2.0
561.30304	1.8
567.29407	9.3
573.30359	6.8
585.30548	32.2
603.31732	26.1
621.32562	63.0
622.33057	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	621.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50894	1.5
53.03946	6.9
55.01876	8.3
55.05510	27.1
57.03445	10.1
59.04996	1.7
61.02934	3.6
65.03938	4.7
65.85231	1.8
67.05506	41.2
69.03426	19.0
69.07072	12.3
70.06573	3.6
71.04995	13.4
71.59739	2.0
72.08153	3.3
73.02914	1.8
79.05489	33.3
81.03418	100.0
81.07059	46.2
83.04984	14.7
83.08624	19.3
85.02909	35.4
85.06534	2.6
86.09697	4.3
87.04446	2.4
91.05476	39.6
93.07047	31.3
94.06563	2.8
95.01324	2.3
95.04976	51.2
95.08602	21.8
97.02909	18.2
97.06545	8.9
97.10166	13.6
99.04488	4.7
100.07610	1.7
101.02348	1.8
103.03952	1.9
103.05477	5.6
105.03383	2.4
105.07029	33.9
106.06560	3.4
107.04967	18.0
107.07378	11.2
107.08584	23.5
109.02893	13.3
109.06497	11.5
109.10167	13.8
111.04431	9.9
111.08060	10.6
115.05499	3.2
116.10729	5.3
117.07004	11.8
119.04958	4.3
119.08591	29.0
120.08099	32.1
121.02855	2.2
121.06512	14.8
121.10153	18.6
122.09666	91.6
123.04420	10.5
123.08080	7.4
123.10009	12.7
123.11692	6.5
124.07597	5.6
124.10413	2.8
124.11245	2.5
125.05903	2.3
125.09647	9.1
127.03915	8.9
128.06241	2.4
129.07021	17.2
131.04955	6.8
131.08588	17.3
133.06474	10.8
133.10141	15.7
135.04420	1.5
135.08093	6.4
135.11688	7.2
136.07570	2.9
137.05988	4.2
137.09630	3.8
138.09143	3.4
141.07022	4.0
142.07784	5.2
143.08540	9.5
145.06461	11.3
145.10143	14.0
146.11766	2.2
147.04440	10.2
147.08063	6.8
147.11662	20.3
148.11174	2.0
149.05954	5.2
149.09619	10.8
149.13246	2.8
150.09108	14.7
151.07544	4.3
151.09441	2.0
151.11235	3.1
153.05515	1.8
153.07051	1.9
153.09126	2.3
153.12784	2.4
154.07822	1.9
155.08569	5.1
157.06522	5.2
157.10120	15.2
158.28682	1.7
159.04285	1.8
159.08093	6.6
159.11694	6.1
161.06047	6.2
161.09650	6.2
161.13271	2.2
163.03856	1.9
163.11133	10.4
163.41226	1.7
165.07028	2.1
165.09120	5.1
165.12779	4.7
166.08617	3.4
167.08446	3.1
168.09294	1.8
169.10136	2.4
171.04410	2.0
171.08058	3.6
171.11656	4.0
173.04454	5.7
173.06026	6.2
173.09637	4.8
173.13309	2.2
175.07547	3.4
175.11176	11.9
177.06578	2.8
177.12674	1.7
181.10059	2.6
183.08038	2.7
183.11456	5.1
185.05962	2.5
185.09621	2.2
187.07590	2.8
189.05495	6.7
189.09114	2.6
189.11205	3.1
189.12758	3.8
191.10597	3.5
193.09763	3.8
193.12230	28.7
195.08060	2.5
195.11751	2.1
197.06079	2.6
197.09631	3.0
199.11227	4.8
201.12663	2.6
203.08301	2.1
205.10147	2.2
205.12236	4.6
206.43983	1.9
207.13847	3.6
211.07623	2.1
211.13264	29.9
211.14999	2.6
213.05328	2.2
213.12767	3.8
214.18028	2.8
215.18384	2.4
217.09712	3.3
217.12268	1.9
222.93707	1.7
223.13228	3.7
227.12805	7.1
229.12207	2.8
230.08173	2.5
231.13805	2.8
235.11131	1.9
235.13254	8.5
237.12772	1.8
243.13980	2.5
245.09312	2.0
245.15369	2.6
247.84918	1.7
249.14906	3.1
255.13840	4.9
257.15430	2.5
259.10895	2.0
259.13379	5.5
261.08624	9.9
262.09021	2.6
263.09628	2.2
267.15930	12.9
273.14777	20.6
281.14902	1.8
283.13147	3.6
285.16986	9.5
289.14316	3.9
291.15921	3.1
299.13742	2.6
301.14325	22.6
307.12808	3.0
309.17203	2.1
316.21289	4.3
319.15454	11.3
323.16730	2.4
326.12296	2.4
327.12427	2.9
355.17941	2.8
357.17081	2.1
357.24417	2.0
367.22775	2.6
369.18860	3.1
375.17957	7.9
385.23822	6.9
393.18988	7.6
400.18735	9.7
403.24786	3.3
409.31113	1.9
411.20322	3.1
418.17471	1.9
441.26205	6.1
459.27301	18.8
472.20740	11.3
475.24707	2.0
477.28439	5.5
483.27975	2.4
487.27182	2.3
493.25821	2.3
501.28305	5.4
511.27014	3.7
519.29291	2.1
525.28357	2.6
529.27789	3.2
539.29413	2.7
543.29382	5.1
555.29657	3.2
567.29297	9.0
573.30573	4.7
575.27515	3.5
577.28839	2.1
585.30841	21.0
593.28473	7.8
603.31647	23.8
621.32886	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2708
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
54.15226	0.3
55.05509	0.4
67.05529	0.5
69.49682	1.8
69.50116	1.8
95.78323	0.4
99.78889	0.3
120.08165	0.4
164.60629	0.4
196.93306	0.4
375.16199	1.1
387.16074	0.7
389.17545	2.0
390.18448	0.7
391.19351	0.9
401.17920	0.7
402.18848	0.7
403.19180	2.5
404.20099	1.6
405.20938	1.2
416.20386	0.5
417.16843	1.3
417.20956	1.6
418.21548	1.3
419.22382	3.4
420.23120	0.6
430.17685	0.7
431.18643	1.9
431.22980	1.5
432.19052	1.0
433.20145	1.1
445.20572	3.8
446.20975	2.5
447.21918	4.8
459.18268	2.5
459.22876	0.9
460.18610	0.8
461.19409	1.9
473.19431	0.8
474.20438	5.4
475.21259	11.0
476.21982	1.1
487.21573	2.5
488.22220	1.2
501.22815	1.9
502.24063	0.5
505.26077	1.2
517.21277	0.5
519.20404	0.9
529.22217	0.7
533.25708	6.5
546.22784	0.5
561.24988	26.9
562.25098	1.8
589.24261	0.9
593.27148	0.8
621.27094	100.0
622.27472	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	621.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.01859	0.5
55.05514	1.4
57.03436	0.5
60.04529	0.2
62.15987	0.2
65.03938	0.3
67.05498	1.4
69.07061	1.0
69.41442	1.7
70.06590	0.3
70.61728	0.2
71.05001	0.3
71.08627	0.4
72.08143	0.2
77.03925	0.3
79.05499	1.9
81.03418	2.9
81.07050	1.8
83.04987	0.6
83.08610	0.4
84.08154	0.4
85.02912	1.5
86.06059	2.2
86.09720	0.7
87.04466	0.3
87.06342	0.2
91.05478	4.6
93.07048	3.0
94.35832	0.2
95.04976	2.3
95.08595	1.1
96.08114	0.4
97.02880	0.9
97.06519	0.6
97.10180	0.4
98.09705	0.5
98.20751	0.5
99.04464	0.3
99.08096	0.6
99.09993	0.2
103.05470	8.2
105.03391	2.8
105.04517	0.3
105.07043	1.8
106.06579	0.5
107.04964	0.6
107.07430	0.2
107.08588	1.3
109.02868	0.5
109.06557	0.4
109.10152	0.8
111.04483	0.5
111.08103	0.4
115.05437	0.4
116.10732	2.9
117.05777	0.2
117.07021	0.6
117.11057	0.6
118.06554	0.6
119.04977	0.3
119.07275	0.3
119.08597	1.2
120.08106	100.0
121.06498	0.7
121.08437	0.8
121.10164	0.8
122.09709	1.7
122.10479	0.4
123.04419	0.3
123.11720	0.3
125.09649	0.3
126.55427	0.2
127.03908	0.5
129.07005	0.8
130.06511	1.3
131.04916	0.7
131.08556	0.7
132.08081	0.3
133.06564	0.3
133.10136	0.4
134.06013	0.3
135.08060	0.3
135.11702	0.6
136.07602	0.4
137.05992	0.3
142.08655	0.9
143.08928	0.3
145.06406	0.3
145.10130	0.8
146.06000	0.3
147.04404	0.4
147.08093	0.3
147.09152	1.8
147.11711	0.4
149.05972	0.3
149.09618	0.7
157.10135	0.7
159.11710	0.4
161.09601	0.3
163.11165	0.7
165.07080	0.5
165.10265	0.7
167.08548	1.1
167.10738	0.2
169.10222	0.3
171.08124	0.2
173.04443	0.3
173.05875	0.2
173.09665	0.3
175.08707	1.3
175.11288	0.2
178.07776	0.8
179.08594	0.4
191.08562	0.4
193.10133	1.3
193.12242	0.7
195.08031	0.5
196.16940	0.3
203.08469	0.6
205.12350	0.3
207.08141	0.6
208.11296	0.4
209.09657	0.7
211.07565	0.3
211.13251	0.5
214.17998	3.1
215.18324	1.8
219.08015	0.6
220.11253	0.5
221.09663	1.1
222.09209	0.4
222.12834	0.3
223.07559	1.6
224.10785	1.3
225.09299	0.3
225.11452	1.0
227.12752	0.4
234.09058	0.3
235.09769	0.5
236.10698	2.7
237.09134	0.4
238.12285	1.7
240.10229	0.4
246.09181	0.6
247.07535	0.5
248.10707	1.7
250.12143	0.3
251.06940	0.4
253.13353	2.4
254.11731	0.9
263.11768	1.3
264.10229	2.3
265.08560	0.4
265.13406	0.4
273.14810	0.4
282.11258	3.0
284.12720	0.3
292.09607	0.5
299.13904	12.1
300.14117	0.4
301.14380	0.3
309.12341	2.4
310.10703	1.0
311.13736	0.8
336.27075	0.3
337.14148	0.4
338.15192	0.3
340.16943	0.3
342.22760	0.7
343.22900	1.0
343.42111	0.3
355.17972	0.6
356.16489	0.4
360.23627	0.9
361.24103	0.9
366.14740	0.3
367.17786	0.3
375.17938	0.3
376.23355	0.6
377.23486	0.8
398.15088	0.3
400.20224	0.5
401.18668	2.6
404.16339	0.3
411.17383	0.8
413.18713	0.5
428.19608	1.1
429.18103	0.7
441.25754	0.3
446.20764	7.3
456.19199	0.7
457.17618	8.9
458.20212	0.8
459.18799	0.4
459.25726	0.3
459.32324	1.2
474.20300	6.3
475.18704	0.4
484.18661	0.4
502.19699	3.9
523.29327	1.2
548.25317	0.8
558.23682	0.3
560.25275	0.5
575.26569	1.7
576.24896	1.2
577.28064	1.8
585.30109	0.4
593.27563	17.8
594.27502	0.8
603.31110	0.5
621.26721	15.7
621.35126	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	621.2703
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
55.05513	0.6
57.07069	1.1
67.05493	0.7
69.27962	4.2
69.28369	0.5
70.49436	0.4
71.08626	0.6
73.58482	0.4
75.18169	0.4
81.03424	0.6
81.07067	0.6
83.08623	0.7
85.02911	0.4
85.10172	0.4
91.05452	0.7
93.07063	0.4
95.04948	0.5
97.97221	0.4
98.98459	0.5
119.08647	0.4
120.19217	0.4
125.76831	0.4
131.08572	0.4
193.12173	0.5
200.73186	0.4
211.13297	0.6
273.46689	0.4
313.27258	0.4
374.15811	0.6
375.16406	0.7
387.16428	0.5
388.16858	1.0
389.17560	2.3
390.18430	1.2
391.19119	0.8
401.18069	0.9
402.18546	1.2
403.14902	0.6
403.19333	4.4
404.19980	1.9
405.20682	2.4
415.19626	0.7
416.15921	1.0
417.16190	4.0
417.21103	2.1
418.17459	1.1
419.22388	6.5
420.23105	0.7
430.17575	0.7
431.18124	7.0
432.18903	3.1
433.20203	2.2
440.16107	0.4
444.19577	1.0
445.20129	5.3
446.20901	5.6
447.21783	9.2
459.17313	0.8
459.22021	1.9
460.23227	0.7
461.19824	1.5
463.21408	0.5
473.19305	0.8
473.24234	0.7
474.20349	4.6
475.21262	7.5
487.21417	3.1
488.22031	0.9
491.20398	0.7
501.22888	1.9
503.21161	0.7
505.26071	1.3
519.20892	0.8
523.39862	2.9
533.25537	14.2
534.25708	1.1
561.24976	20.2
562.25610	0.9
572.09070	0.5
589.24866	1.1
593.27429	3.4
621.27081	100.0
622.27283	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	620.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
55.05512	3.0
56.05023	0.7
56.96534	0.4
57.03424	1.6
57.07060	0.5
60.04522	0.4
61.02926	2.2
62.06067	0.8
65.03930	0.4
67.05504	4.1
69.03076	0.7
69.03429	7.4
69.07067	15.9
70.06584	2.2
71.04978	1.4
71.07364	0.5
71.61167	0.6
72.08150	3.6
73.02908	1.4
73.06554	2.2
79.05477	3.3
79.59851	0.3
80.04999	0.4
81.03418	3.9
81.05791	0.6
81.07055	9.5
82.06572	0.9
83.04982	1.2
83.08600	1.1
84.03666	0.3
84.04503	0.5
84.08135	0.7
85.02904	10.3
85.06524	1.4
86.06065	45.2
86.09695	1.5
87.04452	1.7
91.03947	0.7
91.05476	4.5
91.35518	0.4
93.07050	2.7
94.06571	0.5
95.04962	1.4
95.08598	2.9
96.08128	12.0
97.02893	5.0
97.06535	5.1
98.06053	1.1
98.09096	0.4
98.09692	6.1
99.04473	2.3
99.08077	0.8
100.07587	0.9
101.02419	0.5
101.05991	0.4
104.07101	0.6
105.07024	4.4
107.08607	2.2
108.08118	4.0
109.02885	1.9
109.06516	2.1
109.10156	1.2
110.09657	1.4
111.04462	0.5
112.07597	0.8
113.05960	0.4
113.08391	0.4
114.09157	1.6
115.07549	3.0
116.10732	61.4
119.03290	0.4
119.08582	3.5
120.08105	1.2
120.43120	0.3
121.10142	2.1
121.30149	0.3
122.09690	2.4
123.08061	0.7
123.11700	3.2
124.07582	3.6
126.09168	1.0
127.03915	2.8
129.06990	1.0
131.08562	0.8
133.10114	2.3
134.09637	0.8
135.11685	0.6
136.07581	0.7
136.11278	0.9
138.09157	1.3
139.09750	0.3
140.10727	1.3
141.09105	1.3
142.08635	26.7
142.12276	0.7
145.04961	1.1
147.11684	11.4
151.11214	1.6
152.10750	1.1
152.14296	0.6
154.08650	0.5
154.12247	1.6
157.10081	2.1
158.11742	0.4
159.11656	0.5
164.14378	0.5
165.12730	5.2
166.08673	0.6
169.12245	0.6
170.11778	0.8
175.11223	2.4
176.14252	0.5
183.13857	0.7
184.16977	0.7
187.13348	0.7
193.12238	2.2
194.15414	2.6
210.18527	1.4
211.13304	2.9
212.16452	100.0
212.68024	0.3
213.16840	0.9
214.17993	0.4
229.14346	8.6
230.17509	18.9
236.16405	2.0
242.13742	0.5
243.11281	0.6
254.17584	0.7
261.08765	0.5
272.18564	11.1
278.15982	5.6
284.46402	0.4
315.13568	0.6
316.13779	0.7
326.23096	0.4
344.24307	4.6
355.17587	0.5
373.18546	0.7
374.21725	39.6
375.22232	0.6
392.22797	22.7
393.23132	0.4
422.28949	0.6
434.23999	0.5
437.18826	0.5
440.30051	10.3
441.30475	0.4
449.19315	0.7
455.20056	0.6
458.31119	26.4
459.31503	0.8
506.29651	6.2
545.18329	0.4
602.27057	1.1
602.35327	22.4
603.36511	0.4
620.28949	0.9
620.36493	16.0
621.36658	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03865	0.8
55.01791	1.0
55.05400	3.0
55.05699	1.2
57.03340	1.0
57.06990	0.7
61.02841	0.8
62.05976	1.3
67.05379	5.5
67.05775	1.4
69.03307	5.5
69.03709	1.2
69.06941	2.8
70.06495	0.8
70.73093	1.2
71.04860	1.4
71.08504	5.9
71.08936	1.1
72.08028	1.7
73.02819	0.7
79.05361	5.0
79.05852	0.6
81.03286	6.4
81.03805	0.8
81.06923	6.7
83.04845	1.7
83.08476	2.1
84.08015	1.3
85.02769	7.0
85.03316	0.9
85.06422	0.9
86.05929	16.6
86.06515	2.4
87.04359	0.8
91.05341	4.5
92.05688	0.5
93.06902	4.8
95.04832	3.2
95.05489	0.7
95.08460	4.4
96.07997	2.6
96.08698	0.7
97.02740	4.0
97.06395	2.2
97.10082	0.9
98.05929	1.2
98.09550	6.1
99.04324	1.5
99.07945	8.3
99.08649	0.9
105.06872	2.4
107.04827	1.1
107.08446	3.7
108.07973	2.4
108.08764	0.7
109.02732	2.3
109.06408	1.0
109.10009	1.8
110.09614	0.6
111.04327	0.4
111.07930	1.3
113.08298	0.5
114.09026	0.7
116.10574	47.4
116.11846	1.5
117.06870	1.3
117.10970	0.5
119.08421	2.4
120.07982	0.7
121.06397	1.1
121.10128	2.3
122.09644	2.5
122.10309	0.7
123.04351	0.7
123.07950	0.9
124.07449	0.7
125.09570	0.5
126.08999	1.3
127.03761	3.7
129.06882	1.0
131.08411	1.4
132.45436	0.5
133.09976	1.2
135.07933	0.7
135.11681	4.5
136.11108	0.6
137.09450	1.3
138.09004	0.5
139.10970	0.5
140.10533	1.4
142.12175	0.9
143.08415	0.7
143.10623	2.5
145.04819	1.1
145.06444	0.7
145.10123	2.5
147.07892	0.5
147.11546	1.2
149.05846	0.7
149.09476	0.9
154.15828	1.0
157.10042	1.0
161.09531	0.5
163.11154	2.6
166.15813	0.9
168.17209	0.5
173.05873	0.5
173.09494	0.9
181.12253	2.1
184.07127	1.2
189.05380	0.6
191.10532	0.6
193.12106	1.3
196.16992	3.0
199.13170	1.9
201.10960	0.6
205.12128	0.6
209.11639	0.4
211.13257	0.9
214.18016	49.3
215.18079	0.7
224.19943	0.5
225.11066	0.8
226.17940	0.7
227.12625	1.2
227.16353	1.1
235.13286	0.4
238.21573	0.8
243.15820	0.7
245.13693	0.4
248.20174	1.1
250.21858	0.9
260.20065	0.7
261.13370	3.1
262.21609	1.0
266.21039	1.7
267.15732	1.0
273.14810	0.9
274.14987	0.5
278.20898	0.7
280.22733	2.4
284.22345	2.9
285.10043	0.9
285.16876	0.6
296.22095	2.1
298.23785	6.9
301.14319	1.3
314.23218	6.0
319.15536	0.6
342.22708	4.3
348.14911	0.5
360.23804	100.0
361.24207	1.3
374.15637	0.5
375.18167	0.7
376.23279	6.5
405.81760	0.5
435.21152	1.1
440.30020	2.3
458.31100	28.3
459.32358	0.7
509.26443	0.5
522.29120	21.3
523.29199	0.6
567.30066	0.6
580.49011	0.5
584.29797	0.5
585.30646	2.1
602.31134	0.7
603.31915	1.6
620.36719	15.5
621.32733	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	620.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.8
54.31684	0.5
55.01862	2.0
55.05512	5.4
56.05024	0.6
57.03423	2.9
57.07058	0.5
61.02921	1.3
62.06076	0.8
65.03928	0.7
66.87132	0.4
67.05169	0.8
67.05503	10.9
69.03091	0.6
69.03424	7.9
69.07056	4.1
70.06583	0.7
70.12666	2.5
71.01342	0.4
71.05000	2.6
71.08630	8.0
72.08151	3.0
73.02905	0.6
76.03880	0.4
78.82838	0.5
79.05489	9.5
80.05000	0.5
81.03415	20.6
81.07057	12.4
83.01334	0.5
83.04980	3.9
83.08618	5.5
84.08126	1.5
85.02898	7.6
85.06533	1.8
86.06068	17.5
87.04462	0.8
90.35909	0.5
91.04965	0.7
91.05486	9.5
93.07035	8.7
94.06561	1.5
95.04967	6.8
95.08605	5.7
96.08135	3.9
97.02897	5.6
97.06537	2.7
97.10162	2.0
98.06072	1.2
98.09695	7.4
99.04443	2.0
99.08093	8.4
103.03980	0.5
103.05447	0.5
105.07034	6.6
106.06541	1.2
107.04978	2.4
107.07346	6.9
107.08570	5.3
108.07520	0.6
108.08115	2.0
109.02864	5.6
109.06509	1.7
109.10147	1.7
110.09677	0.9
111.04444	2.0
111.08097	2.1
114.09150	0.8
115.05370	0.5
116.10730	51.1
117.07030	2.4
119.04918	0.6
119.08574	5.6
120.08111	1.4
121.02972	0.5
121.06506	2.2
121.10129	3.7
122.06020	1.6
122.09666	41.1
123.04417	1.4
123.08078	1.0
123.10007	12.7
123.11693	0.7
124.07582	0.6
124.11172	0.6
125.02383	0.8
125.05975	0.6
125.09625	0.9
126.09162	0.9
127.03911	4.4
128.06239	0.7
129.07025	3.2
131.04869	1.0
131.08571	2.3
133.06512	1.2
133.10114	3.3
134.09697	0.5
135.08066	1.4
135.11691	5.4
136.07535	1.8
136.11220	1.1
137.09666	0.7
138.09073	0.8
140.10698	1.2
141.06996	0.6
142.07716	0.7
142.08701	0.7
142.12299	1.2
143.08533	0.7
143.10699	3.2
145.04948	1.1
145.06485	1.5
145.10106	2.9
147.04388	1.7
147.08069	0.9
147.11671	3.8
148.11212	0.9
149.09622	1.2
150.09129	5.3
151.09502	2.0
153.12706	1.1
154.15875	1.1
157.10091	3.1
159.08116	0.7
161.05936	0.7
161.09666	0.9
163.11115	2.9
164.07092	2.8
165.12743	1.1
166.15916	1.0
171.08183	0.7
171.11787	0.7
173.04485	0.6
173.05881	0.6
173.09613	1.2
175.11183	2.7
179.08510	0.6
181.09763	1.4
181.12236	1.9
181.43185	0.5
182.09949	0.5
189.05495	0.8
191.08144	2.2
191.10666	0.7
192.08502	0.8
193.12228	6.2
196.16977	1.8
199.13315	0.9
202.08693	1.1
204.10190	0.8
211.13301	7.8
214.18011	29.9
225.11363	0.7
227.12669	1.2
229.14313	0.5
230.08119	0.8
231.08600	0.7
235.10826	0.5
236.20062	0.6
237.12463	0.5
238.21707	1.4
243.12129	0.9
243.15976	0.7
248.09125	1.1
248.20190	1.0
250.21715	1.0
261.08682	2.5
261.13245	3.2
262.09036	1.4
262.21597	0.7
266.21198	2.0
267.16006	2.3
272.09183	1.1
273.14905	1.9
278.21078	0.5
280.22690	2.2
283.13138	0.6
284.22092	2.4
285.09961	0.7
285.17023	1.5
287.10318	1.0
296.22153	2.5
298.23746	5.7
300.21872	0.5
301.14404	2.2
303.16034	0.6
307.12891	1.1
308.13284	0.6
312.65121	0.5
314.23206	5.8
319.15366	1.3
337.16507	0.9
342.22693	3.7
355.17368	0.7
360.23801	100.0
361.24219	2.1
364.28568	0.6
376.23245	3.4
393.19110	1.0
398.17090	0.7
399.17282	1.4
411.20065	1.0
429.21902	0.8
437.19019	0.7
439.20523	0.8
440.30042	2.0
455.19986	1.1
456.21201	0.7
457.21649	1.7
458.31146	29.1
459.26776	1.0
465.18439	1.2
470.19308	2.2
471.19635	3.6
477.28464	2.3
483.19348	0.6
495.29358	1.3
522.29108	20.6
528.26642	0.6
556.26495	0.9
573.30341	0.7
574.27179	0.9
585.30731	2.4
592.28259	1.7
602.26740	4.0
603.32306	2.5
620.27838	1.8
620.36548	14.2
621.32721	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	620.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50618	0.2
53.03933	0.4
55.01864	0.4
55.05508	1.5
56.05020	0.3
57.03429	0.8
57.07074	1.4
61.02914	0.5
62.06102	0.4
67.05498	2.9
69.03421	2.2
69.07076	1.5
69.58720	0.2
70.06592	0.7
71.04998	1.2
71.08633	4.8
72.08147	1.7
73.02908	0.5
79.05486	2.2
80.05852	0.2
81.02975	0.3
81.03416	3.0
81.07059	3.4
83.04965	0.9
83.08618	1.4
84.04449	0.3
84.08129	1.0
85.02905	3.3
85.06553	0.3
86.06063	3.5
86.09698	0.4
87.04465	0.5
91.03934	0.3
91.05480	2.2
93.07051	2.4
94.29829	0.2
95.04977	1.1
95.08605	2.2
96.08127	2.4
97.02888	1.4
97.06520	0.9
97.10145	0.6
98.06061	0.6
98.09711	1.6
98.20780	0.5
99.04434	0.5
99.08087	2.4
103.05416	0.2
105.07041	1.4
106.06518	0.3
107.04964	0.8
107.07355	2.3
107.08588	1.6
108.05370	0.2
108.07501	0.3
108.08224	1.1
109.02879	0.8
109.06526	0.4
109.10136	0.8
110.09702	0.5
111.04448	0.4
111.08090	0.3
113.08376	0.3
114.09164	0.3
116.10735	15.7
117.07001	0.7
119.08593	1.4
120.08096	1.0
120.08920	0.3
121.06490	0.4
121.08852	0.4
121.10136	1.2
122.06049	0.5
122.09671	19.4
123.08053	0.4
123.10008	5.5
124.07580	0.5
124.11205	0.4
125.09642	0.4
126.09191	0.3
127.03881	1.1
129.06982	0.4
131.08546	0.7
133.10123	0.6
135.11688	2.3
136.07562	0.7
136.11195	0.4
139.03853	0.2
140.07037	0.3
140.10707	0.8
143.10625	1.3
145.10139	0.9
147.04378	0.3
147.11615	0.5
148.11211	0.3
149.01158	0.3
149.02341	5.5
149.09581	0.2
150.09158	2.1
151.09457	1.0
153.12738	0.5
154.15903	2.8
157.10120	0.4
161.09578	0.3
163.11156	1.0
164.05818	0.2
164.07005	1.3
164.14287	0.3
166.15886	2.2
168.17448	0.7
169.10109	0.3
171.04263	0.2
175.11142	0.3
176.10712	0.3
178.15933	1.2
181.06621	0.2
181.09828	0.6
181.12221	1.8
182.09995	0.5
184.07365	0.3
189.05588	0.2
191.08177	0.8
191.10649	0.3
193.12265	0.5
196.16963	6.4
199.13289	2.1
202.08763	0.3
203.09084	0.3
204.10194	0.3
205.08589	0.9
205.10345	0.3
205.12628	0.2
209.11798	0.3
213.05498	0.7
214.18022	100.0
215.18358	0.7
217.09763	0.4
217.14420	0.6
222.08426	0.2
227.12852	1.2
230.08194	0.3
245.09254	0.3
245.13872	1.0
249.09555	0.4
261.08832	1.6
262.08997	1.0
263.10071	0.4
267.09030	0.2
277.14459	1.0
287.10107	0.4
292.15088	0.2
307.12885	0.5
307.80035	0.3
308.13098	0.3
337.14084	0.7
360.23828	3.1
361.18445	0.3
362.17221	0.3
376.23303	15.5
399.17462	0.9
407.19095	0.3
411.17853	0.4
429.22290	0.5
437.18808	0.3
439.20483	0.4
440.29987	0.8
455.20367	0.4
457.21243	0.7
458.31155	10.8
465.18704	0.6
470.19022	0.5
471.19464	1.3
472.20593	0.3
483.18900	0.3
508.43307	0.3
522.28717	0.5
528.26721	0.3
565.28632	0.3
574.27332	0.5
592.27972	0.7
602.26715	1.7
603.29089	0.4
620.37054	6.0
621.32007	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	619.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	7.3
55.01877	11.5
55.05513	32.6
57.03438	8.6
58.48055	1.6
59.04999	1.6
60.18613	1.4
65.03963	1.9
67.05508	37.9
69.03434	20.0
69.07077	10.9
69.48799	10.2
69.49230	5.9
71.01340	2.2
71.04992	5.1
73.02934	3.3
79.05493	36.5
81.03423	40.7
81.07063	34.0
83.04980	15.1
83.08620	19.3
85.02916	16.5
85.06546	3.1
91.05489	23.8
93.07046	26.5
95.04971	29.9
95.08611	13.4
97.02908	13.0
97.06509	4.0
97.10168	22.8
99.04462	6.0
103.03962	3.2
105.03387	2.0
105.07046	16.9
107.04955	14.7
107.08593	21.9
109.02859	11.5
109.06541	8.1
109.10168	9.6
111.04440	10.1
111.08112	4.0
115.05476	3.8
117.07018	15.4
119.04951	3.3
119.08581	15.2
121.02890	4.7
121.06477	10.5
121.10147	9.8
122.09692	3.7
123.04426	9.3
123.08106	7.0
125.09636	17.3
127.03928	5.8
128.06247	3.1
129.06963	8.8
131.04973	8.0
131.08542	10.9
132.61536	2.0
133.06477	8.5
133.10146	5.7
135.04471	2.4
135.08075	7.9
135.11696	8.8
137.02400	2.9
137.05991	2.3
137.09741	3.0
139.03902	2.9
141.07018	6.0
143.08614	5.9
145.06491	11.9
145.10164	11.6
147.04427	5.2
147.08099	6.5
147.11697	7.0
149.06012	6.9
149.09706	3.8
151.07574	2.4
153.09142	4.0
153.12770	3.1
155.08572	4.7
157.06554	3.8
157.10149	4.3
159.04431	3.1
159.08057	5.7
159.11728	3.4
161.06015	8.7
161.09694	7.1
161.13373	2.4
163.03838	2.1
163.11214	19.6
165.09102	3.7
165.16771	1.9
167.08653	3.3
169.06468	3.2
171.08084	6.0
171.11736	4.5
173.04547	3.6
173.06052	7.5
173.09694	7.1
175.03908	2.2
175.07579	3.7
175.11278	2.1
181.06569	4.3
181.10222	1.6
181.12312	3.5
182.07208	1.8
183.08055	2.8
183.11665	2.2
185.06004	4.5
185.09709	2.2
185.23950	1.6
187.07585	5.3
187.11180	2.2
187.14951	2.1
189.05470	6.6
189.09271	2.7
189.11243	10.5
189.12782	2.8
191.10651	3.0
193.12259	3.9
197.06175	2.5
199.07629	3.2
205.12372	6.0
209.11664	2.8
209.13417	2.0
211.07469	3.2
211.11205	2.1
213.05655	2.1
213.09149	2.3
213.12785	2.8
217.12263	2.7
221.09760	2.5
223.07553	2.7
227.10724	3.6
227.12697	13.2
231.13889	2.0
235.11195	2.2
235.13318	4.0
237.12811	2.1
243.13971	2.7
247.13319	3.0
255.13922	3.0
259.13510	2.4
269.15372	2.9
271.13416	4.7
273.14911	23.2
283.12848	3.1
283.15463	9.7
285.14828	3.2
289.14380	3.1
293.15457	2.1
297.14990	2.5
301.14325	21.4
311.16504	2.8
319.15482	8.2
321.14938	2.6
331.42249	1.9
339.15927	5.6
347.18942	1.9
355.15982	2.6
357.17166	3.3
365.21136	2.8
373.81061	1.9
375.18176	6.6
383.22266	9.2
393.19189	4.2
401.23346	6.4
433.24979	2.0
445.23737	2.2
449.23407	3.6
457.25940	4.2
459.67691	1.9
463.25009	3.2
467.24591	2.6
475.26944	4.8
491.24448	5.9
499.27222	5.4
509.25671	7.6
511.26724	2.0
514.56958	1.8
527.26483	4.1
529.27356	2.3
537.29065	2.5
541.28113	7.2
545.27148	3.3
553.28284	5.3
555.29358	2.2
565.28027	9.9
571.29138	5.4
583.29034	30.2
601.30078	33.9
619.31122	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	619.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.5
55.01862	1.0
55.05505	1.6
56.96550	0.4
57.03436	0.6
59.04981	0.4
61.02916	0.4
67.05510	3.2
69.03417	0.9
69.07059	0.9
70.06607	0.4
71.02463	0.3
71.04982	0.6
71.59735	0.5
71.60123	0.4
72.08153	0.4
78.29353	0.3
79.05495	2.1
80.05031	0.7
81.03425	3.2
81.07065	3.1
83.04980	0.9
83.08616	1.2
85.02881	1.9
85.06535	0.4
91.05488	2.8
93.07050	2.4
94.06580	2.1
95.04969	2.1
95.08585	1.8
96.08131	0.7
97.02885	1.3
97.06519	0.7
97.10164	1.0
98.06061	0.4
99.04449	0.3
103.05479	0.4
105.07037	2.4
106.06556	2.3
107.04977	1.0
107.07339	12.5
107.08470	1.7
108.08131	0.7
109.02882	1.2
109.06488	0.6
109.10154	1.5
111.04453	0.7
116.10752	0.5
117.07035	0.8
119.04922	0.7
119.08546	1.6
120.08104	0.6
121.02905	0.5
121.06499	1.0
121.08895	0.4
121.10172	0.9
122.06084	3.1
122.09671	100.0
124.11209	1.8
125.09622	0.7
127.03907	1.0
131.04930	0.5
131.08562	1.2
133.06508	0.6
133.10130	0.6
135.06819	0.8
135.08054	0.6
135.11655	0.7
136.07578	5.4
136.08578	0.6
137.09660	0.4
138.09183	0.4
140.07098	0.7
143.08577	0.5
145.06494	0.6
145.10117	1.0
147.04413	0.9
147.08099	0.5
147.11671	0.7
148.07613	0.5
148.11205	1.3
149.05991	0.5
149.07072	0.4
149.09628	0.4
150.09152	12.9
151.09836	0.4
157.06544	0.4
157.10120	0.8
159.08070	0.4
160.07578	0.5
161.09604	0.4
162.05505	0.4
162.48138	0.3
163.08670	0.5
163.11206	1.2
164.07083	6.3
165.09067	0.4
171.11650	0.5
173.05919	0.7
173.09581	0.6
174.09187	0.8
175.07472	0.4
176.10686	2.3
177.06566	1.7
181.09737	5.3
188.07082	1.4
190.56555	0.4
191.06482	0.4
191.08163	5.9
191.10674	0.5
193.12183	0.7
202.07094	0.4
202.08765	3.0
203.08205	1.3
204.06572	0.5
204.10178	2.6
214.18094	1.4
216.10217	0.4
217.09781	2.1
219.11383	0.6
220.09746	0.5
227.12805	0.6
230.08086	3.1
231.07732	0.7
231.11334	0.4
233.09334	0.6
235.10788	1.1
243.11311	1.0
244.09793	0.6
245.09229	1.6
247.10735	0.7
248.09109	2.1
253.11885	0.4
257.09290	1.1
259.10831	0.7
261.08734	13.0
261.11612	0.7
263.10257	1.6
265.11896	0.5
269.09302	0.3
272.09177	2.1
273.14929	1.0
283.15591	0.6
285.08957	1.2
287.10321	2.6
289.11890	0.9
291.09842	0.3
301.14462	1.3
305.11267	1.5
307.12943	3.9
313.08127	1.1
319.15692	0.5
321.14182	0.4
326.15256	0.5
331.09290	1.3
333.10760	1.1
340.13007	0.8
353.15991	0.3
364.16312	0.4
373.15726	0.5
375.17508	0.4
380.16217	0.6
390.18161	1.4
398.17188	6.1
410.20523	0.7
413.12180	0.3
418.17657	1.8
425.23447	0.5
428.21881	3.2
434.21219	0.5
436.18561	1.4
438.20306	2.7
452.18225	1.0
454.19644	3.4
456.21368	4.9
464.18121	5.5
468.17719	1.2
470.19217	8.6
475.26953	0.4
482.19211	2.5
509.25146	0.5
527.26270	0.9
555.25836	1.9
573.27167	3.3
583.27936	0.8
591.28192	5.1
601.26532	11.7
619.29187	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	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.55510	0.3
55.01873	1.4
55.05523	2.3
56.96568	0.5
57.03436	0.9
57.07068	0.5
65.03941	0.6
67.05511	3.7
69.03426	1.4
69.07054	1.4
70.06586	0.5
70.87478	0.4
71.02486	0.5
71.04988	0.7
71.08643	0.5
71.60607	0.6
71.61016	0.6
71.62549	0.4
72.08160	1.0
79.05501	3.7
80.05022	0.7
81.03414	3.8
81.07050	4.2
83.04980	1.3
83.08643	0.9
84.08165	0.5
85.02922	1.8
86.06071	1.0
91.05486	3.6
93.07047	2.4
94.06577	2.2
95.01345	0.4
95.04967	2.8
95.08601	2.5
96.08120	0.5
97.02885	1.2
97.06523	1.0
97.10178	1.4
99.04526	0.5
105.07030	2.9
106.06552	2.3
107.04955	1.1
107.06605	0.7
107.07344	14.8
107.08489	1.9
108.08131	0.7
109.02861	0.9
109.06527	0.8
109.10152	1.4
111.04463	0.7
111.52710	0.4
114.05506	0.4
116.10759	1.7
117.07035	0.7
119.04952	0.8
119.08567	1.4
120.08138	0.9
121.06520	1.0
121.10137	1.4
122.06071	3.6
122.09673	100.0
123.04430	1.0
123.08108	0.8
123.09999	1.7
124.07599	0.4
124.11250	1.4
125.02353	0.4
125.09618	1.2
127.03905	0.8
128.06195	0.4
129.07016	0.6
131.04945	0.6
131.08580	1.3
133.06551	0.4
133.10106	0.7
135.04460	0.5
135.06793	0.7
135.08070	0.6
135.11711	1.5
136.07579	5.1
137.05942	0.4
140.07082	1.2
143.08568	0.5
145.10135	1.2
146.06029	0.7
147.04393	1.1
147.08060	0.5
147.11707	0.7
148.07512	0.5
148.11205	1.6
149.02344	3.4
149.09706	0.9
150.09152	13.2
153.09117	0.4
153.10263	0.5
159.08144	0.4
159.11729	0.4
160.07582	0.8
161.05989	0.8
161.09660	0.4
162.05452	0.4
163.11157	1.1
164.07089	6.6
171.08093	0.7
173.05963	0.6
173.09608	0.5
174.09174	0.7
175.11215	0.5
176.06779	0.4
176.10710	2.7
176.48985	0.4
177.06621	1.8
181.09727	5.3
185.05862	0.6
188.07114	1.7
189.05412	0.4
189.11235	0.6
189.12778	0.5
191.08171	4.9
193.12285	0.6
202.07053	0.4
202.08760	3.7
203.08221	1.7
204.06688	0.4
204.10190	3.1
205.08507	0.6
214.18021	0.4
215.08232	0.6
217.09758	2.8
219.11368	0.7
220.09682	0.8
230.08104	2.8
233.09207	0.7
235.10864	1.7
243.11421	0.5
244.09737	0.9
245.09248	1.6
246.07796	0.5
248.09247	1.8
253.11836	0.5
255.11485	0.5
257.09357	0.6
259.10782	1.0
261.08719	18.0
262.08929	0.6
263.10345	1.6
272.09268	1.4
273.14987	1.2
277.11816	0.5
279.13547	0.5
283.15417	0.5
285.08856	0.7
286.03720	0.4
287.10236	2.6
288.08688	0.7
290.10153	0.5
301.14380	1.3
305.11429	1.7
307.12958	3.7
313.07797	1.4
314.07773	0.4
319.15530	0.5
331.09372	0.6
333.10739	1.1
360.23798	4.7
361.14160	0.6
362.18661	0.5
375.18167	0.6
390.18018	1.8
398.17169	5.8
401.24115	0.4
410.20889	0.8
418.17633	2.2
425.23593	0.5
428.21832	3.7
436.18628	2.0
438.20175	3.2
452.18265	1.0
454.19699	2.6
456.21335	3.7
458.31146	0.9
464.18134	6.0
468.17587	0.4
470.19299	10.1
471.19864	0.4
482.19406	1.4
509.25433	0.4
522.29346	0.9
527.26422	1.5
555.26050	1.4
573.27301	3.1
583.27716	0.6
591.28253	5.6
592.28510	0.7
601.26550	11.0
602.26221	0.9
619.30023	6.4
620.27338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08205	0.3
50.44668	0.3
50.70874	0.3
53.03938	0.6
53.87264	0.3
55.01871	1.0
55.05502	1.0
56.96550	0.6
57.03416	0.6
67.05506	3.0
69.03436	0.8
69.07081	0.7
70.06591	0.8
70.88728	0.6
71.02483	0.6
71.04984	0.4
76.58695	0.3
79.05494	2.7
80.34846	0.4
81.03421	2.3
81.05791	0.4
81.07064	2.4
82.12957	0.3
83.04957	0.5
83.08624	0.4
85.02914	1.5
91.05483	2.4
93.03469	0.3
93.07026	2.2
94.06573	2.2
95.04979	2.2
95.08587	1.6
97.02884	0.8
97.06537	0.6
99.04446	0.4
99.08129	0.5
100.12664	0.3
105.07040	2.5
106.04259	0.3
106.06548	2.9
107.04947	0.8
107.07343	12.8
107.08592	1.1
108.08106	1.2
109.02893	1.0
109.06493	0.4
109.10168	1.4
111.04459	0.6
115.05491	0.4
116.10771	0.4
117.06985	0.5
119.04900	0.4
119.08599	1.1
120.08109	0.9
121.06521	0.6
121.10178	0.8
122.06063	3.8
122.09671	100.0
123.08084	0.5
123.10040	0.4
124.07620	0.7
124.11226	1.4
125.09649	0.6
127.03947	0.5
129.07007	0.5
131.04897	0.5
131.08578	1.1
133.06482	0.8
133.10138	0.9
135.04393	0.4
135.06779	0.8
135.08031	0.6
135.11711	0.6
136.07579	4.6
138.09145	0.5
140.07095	1.0
143.08577	0.7
145.10168	0.7
146.06050	0.5
147.04437	0.7
147.07988	0.4
148.07487	0.4
148.11200	1.4
149.07063	0.5
150.09148	13.7
151.09966	0.4
159.08131	0.4
160.07643	0.8
161.05995	0.7
161.09639	0.3
162.09213	0.3
163.07472	0.5
163.08690	0.4
163.11194	0.9
164.07082	7.1
173.06020	0.8
173.09607	0.5
174.09126	0.8
176.07088	0.4
176.10715	2.1
177.06583	2.4
181.09729	6.7
186.09236	0.4
187.07491	0.4
188.07079	1.3
189.05461	0.6
191.08157	5.6
200.10873	0.5
202.05792	0.3
202.07114	0.7
202.08821	4.4
203.08273	1.6
204.06691	0.6
204.10233	3.5
205.09869	0.6
205.12003	0.4
211.13249	0.4
213.10237	0.5
214.18027	0.7
216.10254	0.6
217.09671	2.1
219.11430	0.8
220.09598	0.5
227.08318	0.5
227.12749	0.4
230.08195	3.1
231.07683	0.4
235.10794	1.4
240.08952	0.4
243.11418	1.0
243.13678	0.3
244.09749	0.6
245.09222	1.6
247.10765	0.8
248.09192	2.3
253.11929	0.4
255.11317	0.4
257.09317	0.8
259.10876	0.9
261.08713	21.4
262.08850	0.5
263.10324	1.2
265.11728	0.7
271.10794	0.6
272.09177	2.1
273.14896	0.8
279.13538	0.4
285.09076	0.8
286.09036	0.3
287.10266	3.1
288.08569	0.5
289.11725	0.7
290.10461	0.8
299.10172	0.5
301.14352	1.4
305.11316	1.5
307.12894	4.6
313.08218	1.5
314.08511	0.6
315.09393	0.3
321.14465	0.4
325.11685	0.5
330.16226	0.4
331.09238	0.6
332.09671	0.5
333.10672	1.4
340.12793	0.5
348.75113	0.3
357.17279	0.4
359.22849	0.4
361.14368	0.4
362.18619	0.5
374.14917	0.5
390.18137	2.0
398.17120	7.3
418.17508	3.1
424.18735	0.7
428.21780	2.7
436.18616	2.9
438.20169	2.0
446.79391	0.3
450.16275	0.4
452.18121	1.1
454.19891	2.2
456.21228	4.2
464.18234	7.8
469.17996	0.4
470.19257	13.0
482.18906	1.6
527.26624	0.8
555.25995	1.3
573.27075	4.0
583.25916	0.5
591.28149	5.0
601.26367	12.3
619.27728	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	618.3485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	0.9
55.05510	1.5
56.05005	0.3
57.03437	2.2
57.07066	0.3
59.04969	0.5
60.04485	0.4
61.02929	2.7
62.06061	0.4
67.05502	2.2
69.03429	6.8
69.07064	3.7
69.91727	1.6
70.06567	0.9
71.05000	1.8
72.08150	0.6
73.02917	2.5
79.05488	2.3
80.04999	0.3
81.02979	0.3
81.03415	3.3
81.07050	3.7
82.06536	0.6
83.04951	0.8
83.08591	0.6
84.04463	0.4
84.08121	0.7
85.02905	15.5
85.05289	0.3
85.06506	1.1
86.06066	9.9
86.09698	0.7
87.04466	5.0
91.03965	0.7
91.05482	1.4
93.07050	2.7
94.06528	0.3
95.04963	0.5
95.08607	3.3
96.08136	2.9
97.02898	5.6
97.06529	1.3
98.06046	1.7
98.06594	0.3
98.09671	0.6
98.20715	0.3
99.04466	2.8
103.03927	0.4
105.07030	1.6
107.04936	0.3
107.08616	1.6
108.08089	1.5
109.02875	2.4
109.06505	1.0
109.10117	1.2
110.09629	0.7
112.07565	0.5
116.10734	4.8
117.07011	0.6
119.08534	1.2
120.08087	1.1
121.10178	1.3
122.05968	0.4
122.09689	2.2
123.08035	0.5
123.11681	0.4
124.07572	1.4
124.11212	0.5
126.09184	0.3
127.03928	3.5
129.05496	0.4
133.10123	0.3
134.09641	1.1
135.11678	1.3
136.11235	1.6
138.09113	0.9
138.12723	0.2
138.20717	0.2
140.10649	0.8
141.09077	0.4
142.07565	0.5
142.08636	8.4
142.12210	0.5
145.04988	1.6
145.10088	1.1
147.11671	0.7
148.11122	0.3
150.09117	0.4
150.12672	0.3
151.11195	2.6
152.10678	0.9
152.14218	0.7
154.12289	1.8
160.11194	0.5
162.12741	0.9
163.11108	0.4
164.14326	1.1
169.12161	0.5
170.11847	0.4
174.09088	0.3
176.14294	0.6
180.13773	0.7
182.15367	0.7
184.16876	0.3
194.15381	1.9
196.17036	0.7
198.15031	0.3
207.08655	0.4
208.16936	0.7
212.16457	60.6
213.16769	0.7
224.16483	3.2
226.18015	46.8
242.17520	7.9
252.15991	0.7
259.09705	0.3
261.08746	1.3
262.08945	1.0
270.16971	1.2
276.23206	0.3
288.18048	100.0
315.13312	0.4
327.43503	0.3
342.23026	0.5
352.12625	0.3
360.23761	1.3
374.21735	75.2
375.22083	0.8
395.24396	0.9
399.17529	0.5
438.28445	0.8
450.23291	6.6
456.29562	10.8
480.17389	0.4
527.11749	0.3
618.26819	1.4
618.34888	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	618.3482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.2
55.05477	1.1
56.05002	0.8
57.03431	2.5
57.07047	0.4
60.04520	0.4
61.02927	2.0
67.05505	2.8
68.87919	0.3
69.03432	6.8
69.07075	3.2
70.06586	1.9
70.06890	0.4
70.95252	1.2
71.04951	1.6
72.08125	0.6
73.02924	2.3
79.05500	1.9
80.04967	0.4
81.03014	0.3
81.03407	3.2
81.06638	0.4
81.07041	4.0
82.06548	0.6
83.04974	0.7
83.08586	0.8
84.08097	0.8
85.02905	15.0
85.06509	0.9
86.05599	0.6
86.06068	9.1
86.09695	0.9
87.04461	3.5
91.03959	0.6
91.05466	2.4
93.07045	2.8
94.06538	0.9
95.04943	1.2
95.08600	3.4
96.08138	3.2
97.02896	4.6
97.06512	0.9
98.06033	1.4
98.09660	0.9
99.04460	2.3
105.06995	1.2
107.04968	0.6
107.08553	1.3
108.08156	2.0
109.02831	2.0
109.06483	1.2
109.10126	0.7
110.09692	0.8
112.07626	0.4
116.10741	4.5
116.98529	0.4
119.08561	1.4
120.08115	1.8
121.10110	1.7
122.09641	1.6
123.08023	0.8
123.11703	0.5
124.07539	1.7
126.09117	0.4
127.03928	2.3
129.05421	0.3
133.10085	0.8
134.09589	0.9
135.11656	1.7
136.07486	0.7
136.11209	0.5
137.05902	0.4
138.09096	1.2
140.10640	0.6
142.08635	7.5
142.12274	6.0
145.04965	1.6
145.10051	1.4
147.11606	0.6
148.07567	0.4
149.08154	0.4
151.11237	2.1
152.14311	0.6
154.12204	0.9
162.12694	0.8
164.14230	0.9
166.12291	0.5
167.12993	0.5
171.32076	0.4
180.13785	0.6
182.15451	0.8
194.15375	1.3
196.16960	0.7
208.16888	0.5
212.16458	51.9
216.15857	0.4
224.16446	2.9
226.18018	42.0
241.13412	0.5
242.17499	8.0
252.16042	0.5
261.08810	0.8
262.08673	0.4
270.16974	0.9
284.69180	0.4
288.18051	100.0
289.18448	0.8
304.17551	0.7
324.47296	0.4
342.23038	0.4
358.22220	1.4
360.23862	1.4
374.21729	63.4
407.17166	0.4
438.28708	0.8
446.87064	0.4
450.23346	6.4
456.29559	10.2
520.27661	1.2
568.65369	0.5
590.26727	0.9
600.25134	1.2
600.37476	0.4
618.27130	1.4
618.34991	22.4
619.26843	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.3483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01837	0.9
55.05508	1.7
56.05000	0.4
57.02412	0.2
57.03432	2.1
57.07050	0.4
59.04972	0.4
60.04507	0.4
61.02924	2.7
62.06050	0.8
67.05499	2.9
69.03427	7.9
69.07069	3.7
70.06596	1.9
70.96538	0.6
71.01304	0.4
71.05002	1.4
72.08121	1.1
73.02912	2.4
79.05478	1.5
79.05844	0.3
79.88357	0.3
80.04991	0.3
81.03419	3.4
81.07054	4.0
81.88669	0.3
82.06567	0.5
83.04929	0.8
83.08588	0.6
84.04474	0.3
84.08114	0.7
85.02901	16.5
85.05287	0.5
85.06517	0.6
86.06063	10.9
86.09669	1.0
87.04467	5.4
91.03936	0.7
91.05476	1.7
93.06558	0.3
93.07043	3.1
94.06531	0.5
95.04947	0.5
95.08057	0.3
95.08606	3.2
96.08121	4.0
97.02296	0.3
97.02887	5.4
97.06505	1.0
97.10130	0.4
98.06046	1.8
98.09640	0.9
99.04449	3.0
100.07622	0.5
102.74214	0.3
103.03896	0.5
105.07027	2.1
107.04959	0.4
107.08589	1.7
108.08116	2.2
109.02885	2.8
109.06516	1.4
109.10134	0.8
110.07158	0.5
110.09671	1.2
112.07574	0.5
113.05904	0.2
116.10731	4.6
117.06960	0.6
119.08571	1.2
120.08071	1.1
121.10129	1.5
122.09676	1.8
123.06763	0.3
123.08008	0.7
123.11673	0.6
124.07555	1.8
124.11179	0.4
126.09136	0.4
127.03908	3.0
129.05464	0.7
131.08543	0.3
133.10062	0.5
134.09642	1.3
135.08054	0.3
135.11642	1.1
136.11171	1.1
138.09088	0.8
140.10684	0.7
141.05467	0.3
141.09129	0.3
142.07571	0.5
142.08633	8.7
142.12273	0.8
145.04973	1.7
145.10094	1.1
147.11656	0.5
150.12755	0.3
151.11159	2.9
152.10645	0.6
152.14307	0.9
153.12749	0.3
154.12213	1.5
162.12724	1.1
163.11206	0.4
164.14328	1.2
165.40314	0.3
166.12180	0.4
167.06998	0.3
169.12195	0.5
170.11760	0.4
171.06520	0.4
174.09109	0.3
176.14340	0.3
180.13818	0.6
182.15392	1.5
190.12288	0.3
194.15356	1.8
196.17056	0.7
207.08437	0.3
208.16899	0.5
209.13928	0.3
212.16449	62.2
224.16487	3.1
226.18010	49.4
242.17503	9.0
243.11177	0.3
252.15990	0.3
261.08630	0.4
262.09128	0.4
270.16956	1.0
276.23334	0.4
287.05576	0.4
288.18036	100.0
289.18442	0.7
291.45184	0.3
352.12537	0.6
360.23880	1.1
374.21722	73.5
375.22269	0.4
395.24445	0.6
404.21521	0.3
438.28510	0.9
450.23349	6.5
456.29605	11.3
618.34857	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	616.355
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	5.1
56.05020	2.0
57.05809	1.1
69.07066	4.8
69.29513	3.0
70.06567	0.4
70.33228	0.3
72.08154	100.0
74.06081	3.0
76.49358	0.3
81.07057	0.4
84.04492	0.8
85.02892	0.5
86.09702	87.3
92.63416	0.3
93.07060	0.3
97.02831	0.3
98.06071	0.9
98.20774	0.5
102.05539	0.9
105.07053	0.3
116.07104	0.9
119.08614	0.3
124.07600	0.3
126.05515	8.3
130.05003	0.7
136.07535	0.5
137.05898	0.4
144.06593	0.4
148.06053	3.6
181.09819	0.6
185.16464	2.3
197.12827	1.7
199.18071	2.9
213.16008	0.9
215.13895	0.3
225.12332	26.3
227.17531	5.4
243.13396	22.5
252.39543	0.3
261.14432	8.2
287.05554	0.4
287.93893	0.3
326.24478	0.4
328.22302	11.7
338.20905	0.4
356.21783	45.7
374.22681	2.3
455.09778	0.4
469.30255	5.2
568.87311	0.3
598.34790	0.4
616.24219	0.4
617.26984	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21405	2.5
53.03941	4.1
55.05512	20.3
57.03443	13.6
57.07074	3.6
61.27528	2.2
64.23368	2.1
65.03923	3.1
67.05172	4.0
67.05507	55.6
69.07072	21.5
70.12049	10.3
71.04988	4.6
75.04482	2.9
75.92149	2.3
79.05499	21.1
81.03418	75.6
81.07060	56.7
83.04975	6.0
83.08622	24.0
85.06530	2.8
89.06033	5.3
91.05474	25.1
93.07038	22.3
95.04964	25.2
95.08608	40.1
97.06509	3.1
97.10191	7.7
99.08147	2.4
104.41330	2.4
105.07035	19.7
107.04940	5.5
107.08611	16.5
109.06480	5.5
109.10146	16.9
110.54488	2.5
111.08080	10.0
111.11846	2.6
119.08595	13.6
121.10126	14.0
123.11716	5.7
125.09689	3.0
129.06979	7.4
131.08591	11.3
133.08617	4.3
133.10112	13.5
135.08092	3.2
135.11676	3.2
137.13350	2.5
138.83769	2.2
143.08574	4.9
145.10115	4.0
147.08058	2.7
147.11707	10.6
149.09644	4.6
157.10144	9.7
163.11215	3.1
163.14833	4.0
175.11185	7.7
175.14870	3.0
186.30432	2.8
193.12263	19.1
227.12836	3.4
249.14853	2.5
253.15846	2.3
263.23633	5.4
267.15930	100.0
337.27386	73.2
447.34229	3.0
455.35590	4.0
529.38928	65.8
547.39886	31.4
614.48096	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.4406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49273	7.3
50.86491	7.4
55.05495	17.3
59.05004	15.3
62.27193	8.6
67.05499	27.3
69.07072	18.1
71.35139	17.9
75.82610	8.1
79.05488	18.9
81.07050	44.3
83.04978	11.1
83.08628	10.8
85.06491	18.0
91.05463	20.8
93.07044	49.8
95.04951	18.2
95.08585	35.3
105.07024	43.9
107.08597	35.9
107.65132	8.9
109.06506	22.4
109.10158	15.8
111.08043	10.4
117.07024	18.8
119.08578	53.4
121.06478	9.3
121.10154	38.6
123.08038	17.5
125.09746	9.9
127.21609	8.9
129.06987	11.1
131.08577	25.3
131.26768	8.4
133.10167	43.7
135.08070	19.2
135.11723	16.6
137.09625	10.9
143.08560	17.8
145.10115	31.9
147.08080	26.6
149.09601	15.1
151.07539	30.3
151.11133	10.0
157.10129	22.8
159.11726	17.9
161.09621	9.9
163.11191	15.8
165.09160	33.5
169.10114	17.4
171.11687	20.1
173.13240	16.9
175.11227	12.7
175.14870	15.8
181.10123	9.1
181.12225	17.3
183.11708	15.0
187.14824	8.9
189.12724	10.2
191.14391	9.9
195.11671	17.6
197.13316	12.1
199.14967	9.1
203.14330	16.4
206.10786	8.2
207.11766	9.8
221.15355	70.1
286.19150	11.9
503.37189	20.5
583.41241	23.8
615.43951	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	614.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.8
54.56541	3.3
55.01857	4.7
55.05512	29.6
57.03428	12.3
57.07072	8.3
67.05508	48.2
68.05858	3.9
69.03419	4.4
69.07076	14.0
70.06585	14.0
71.04997	5.3
71.08627	11.2
71.60585	6.4
79.05505	32.0
79.20406	3.4
81.03415	29.3
81.07063	55.2
83.04980	21.4
83.08641	21.6
85.02911	18.4
88.10580	3.3
88.70065	4.2
91.05482	42.2
93.07043	37.2
95.04978	23.1
95.08624	20.0
97.02882	3.6
97.06533	8.8
97.10171	6.7
99.08089	11.6
105.03384	13.9
105.07046	34.6
107.04964	5.1
107.08605	22.2
109.06499	9.8
109.10154	7.2
111.08105	8.5
117.07000	9.1
119.08595	23.8
121.10152	11.7
123.11681	4.5
125.09641	4.4
129.07022	11.8
131.08549	18.1
132.10204	8.0
133.10129	20.9
135.11662	6.7
137.09630	4.1
143.08617	6.2
146.11719	4.6
147.08044	3.8
147.11717	10.8
149.02339	19.0
149.05991	66.5
149.09624	9.6
149.13258	4.3
151.07594	4.3
151.11186	14.4
157.10124	16.2
159.11702	7.7
161.13290	7.9
163.11223	10.3
167.10783	7.1
170.89032	3.5
171.11684	5.1
175.11160	6.7
179.14352	5.8
189.11040	3.3
193.05040	10.8
193.12299	28.9
195.13745	4.6
211.13281	43.0
227.12834	9.2
266.78729	4.4
267.15897	14.2
269.17545	13.0
277.21564	6.3
285.16971	42.0
297.07553	10.3
300.28973	21.1
333.79672	4.8
341.10208	60.0
343.34946	4.0
351.25174	13.3
425.62073	3.7
461.28830	11.0
479.30093	57.1
532.74213	5.3
543.37054	5.0
561.37463	15.3
614.36804	100.0
615.35706	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	613.4822
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
51.75427	1.9
53.03953	2.3
55.05511	19.9
57.03431	4.3
57.07073	4.8
62.97652	2.1
65.03963	2.8
67.05170	4.1
67.05504	51.3
69.07066	21.5
71.08630	2.4
71.27174	4.3
71.27519	2.6
79.05489	30.6
81.07058	60.6
83.04966	3.5
83.08610	12.1
89.14243	2.2
91.05480	21.6
93.07043	38.4
93.07623	2.5
95.04980	3.1
95.07983	2.6
95.08603	48.5
97.06561	4.1
97.10154	3.1
99.08113	2.6
105.07024	24.2
107.08585	24.1
109.10139	21.1
117.07000	12.7
119.08574	25.9
121.10120	19.6
123.11713	8.8
129.07033	4.6
131.08568	21.4
133.10110	18.3
135.11687	15.6
137.13272	3.9
143.08582	8.0
145.10135	19.0
147.11673	15.4
149.13268	7.2
155.08511	2.4
157.10143	7.2
159.11716	15.8
161.13277	8.9
163.14783	3.7
169.10191	3.1
171.11737	6.7
173.13260	12.1
175.14848	6.8
177.16371	3.3
183.11682	2.6
185.13330	4.4
187.14824	4.6
197.13287	2.2
201.16319	2.6
203.17934	2.8
213.16324	2.7
228.39243	2.0
241.19597	2.9
243.21152	2.8
259.20657	8.2
261.22244	7.2
273.22263	2.4
317.25183	2.2
333.24213	4.8
335.25732	13.2
337.27530	6.2
521.43713	4.5
525.39630	2.5
595.47473	9.9
613.48224	100.0
614.48657	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	612.4466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	4.1
55.05509	18.0
57.03437	5.6
57.07077	4.6
65.03925	2.3
66.95689	1.9
67.05503	50.1
69.07061	16.5
71.04975	3.0
71.32861	6.2
71.53196	2.1
79.05487	35.7
80.05824	3.9
81.03409	20.1
81.07053	44.9
82.07394	2.8
83.08642	10.6
91.05476	25.7
92.05795	3.1
93.07037	37.9
94.07371	5.1
95.04968	8.1
95.08035	4.4
95.08600	39.1
96.08937	5.8
97.06541	2.8
97.10175	6.1
105.07032	25.2
106.07373	3.5
107.08602	23.4
108.08902	3.0
109.06525	2.3
109.10146	14.7
110.10474	2.7
117.07025	10.2
119.08588	23.1
120.08907	6.1
121.10145	15.9
122.10497	5.1
123.11740	5.2
125.09644	2.5
129.07025	8.5
130.07373	3.1
131.08568	20.7
132.08896	7.0
133.10100	14.4
134.10466	4.5
135.11694	9.6
143.08574	8.9
144.08922	2.4
145.10117	15.5
146.10464	4.2
147.11707	11.5
148.12021	4.3
149.13307	5.7
155.08577	3.8
157.10135	10.3
158.10548	3.1
159.11694	14.3
160.11981	3.3
161.13286	6.6
162.13635	3.2
163.14758	2.3
171.11734	6.4
172.12050	4.6
173.13283	9.5
174.13779	3.2
175.11136	2.4
175.14877	6.3
183.11693	4.6
185.13321	6.3
186.13728	2.2
187.14951	4.1
193.12271	3.8
197.13228	5.5
199.14825	6.5
233.64122	2.3
257.19061	3.5
259.20676	5.2
260.20792	10.8
261.22235	4.7
262.22552	4.1
267.15872	22.4
280.50250	2.5
333.24252	5.9
334.24664	6.5
335.25781	29.3
336.26178	13.1
435.32257	2.7
520.41998	5.0
527.37433	14.7
538.43671	5.4
545.38531	6.0
574.87573	2.4
594.46118	7.4
602.14539	2.4
612.28259	11.2
612.47034	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	612.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.8
55.05519	19.9
57.03427	9.8
59.35838	2.8
67.05505	45.5
69.07080	14.7
69.62370	8.1
69.62787	18.5
71.04984	6.1
71.08641	5.9
79.05493	37.5
81.03418	10.3
81.07057	45.1
83.04987	13.9
83.08614	12.5
85.02875	3.3
85.80705	2.8
91.05460	28.2
92.46890	3.2
93.07051	50.0
95.04967	17.8
95.08598	21.4
97.06515	6.4
99.08071	6.7
105.07035	20.7
106.07366	3.9
107.04943	5.4
107.08595	26.1
109.06533	3.2
109.10165	6.5
117.07029	12.9
119.08607	17.7
121.10139	12.7
121.99138	2.9
123.08038	8.4
125.09603	5.7
131.08565	10.3
133.10149	10.5
135.11673	11.0
145.10101	10.6
147.11699	6.0
149.09619	3.7
149.13222	10.6
151.11180	9.8
155.23080	3.1
157.10081	3.3
159.11627	5.5
161.13260	3.5
163.11169	17.8
165.12807	3.4
175.11186	3.8
175.14778	3.2
195.13763	5.7
197.43103	3.5
211.13272	6.1
221.95168	4.0
224.30969	3.1
227.12735	7.4
269.17514	7.2
277.21658	10.1
283.15405	44.3
351.25317	13.8
383.49106	3.2
453.24417	6.1
461.28561	3.4
477.28476	100.0
525.24860	3.1
553.24817	4.1
559.35938	8.7
600.43683	4.2
612.25610	6.3
612.34979	3.1
612.46838	5.0
613.26367	39.9
613.35535	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	612.4106
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29625	6.0
55.01871	10.4
55.05520	31.3
57.03435	17.0
57.07074	8.8
67.05506	72.8
69.03416	10.5
69.07073	28.1
70.06602	13.9
70.45921	27.1
71.04996	6.4
73.29025	6.2
79.05492	55.0
81.03421	57.4
81.07062	73.6
83.04977	22.9
83.08620	23.1
85.02908	26.0
88.07638	23.4
91.05465	63.1
93.07050	50.1
95.04965	31.3
95.08621	30.9
96.08974	6.1
97.06543	12.9
97.10178	9.3
102.09184	19.3
105.07066	42.9
107.04953	13.1
107.08604	28.8
109.06540	14.9
109.10191	17.2
111.08083	6.5
113.06026	6.5
117.07014	12.8
119.08562	39.8
121.06503	6.5
121.10164	27.9
125.09618	7.1
129.07031	14.2
131.08556	29.7
133.10112	31.2
135.11700	15.4
143.08569	9.2
145.10129	13.3
147.04440	17.0
147.08032	9.5
147.11688	18.3
149.02414	7.6
149.09636	9.1
149.13266	8.7
155.08600	6.9
157.10162	14.4
159.11702	14.5
161.13185	7.3
163.11156	13.1
173.13177	7.8
175.11244	13.3
181.12364	8.8
191.07063	32.6
193.05042	12.9
193.12244	39.2
211.13316	55.7
219.06511	6.9
255.15961	9.8
256.26410	35.8
257.19037	11.1
267.15933	18.1
269.17416	14.7
275.20050	24.5
285.16919	53.3
293.20963	6.6
349.23740	14.4
357.09927	10.2
374.45313	7.1
383.11282	26.9
447.27209	11.8
461.29117	9.3
465.28323	9.7
479.30029	53.2
489.81958	6.6
559.36285	21.5
612.35266	100.0
613.34332	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	611.4671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	11.0
57.03432	6.0
59.61537	6.5
67.05502	38.1
69.07066	16.6
71.32392	10.9
79.05489	28.1
81.07051	37.3
91.05476	24.8
93.07040	42.0
95.04975	10.9
95.08620	32.4
105.07031	21.5
107.08592	25.0
109.10159	15.1
117.06982	8.3
119.08618	13.9
121.10151	18.2
129.07088	6.3
131.08578	18.9
133.10146	10.6
134.36404	6.7
135.11748	10.1
143.08510	11.2
145.10124	16.4
147.11649	9.5
148.17982	7.7
149.13239	7.4
159.11743	10.8
161.13306	9.5
169.10146	7.1
171.11726	8.0
185.13213	5.8
195.11684	6.0
221.42278	6.4
259.20535	8.8
342.78366	6.7
596.71814	6.5
611.46704	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.4
55.05513	14.1
57.03430	5.3
57.07067	4.2
65.03935	1.7
67.05505	35.6
69.07069	14.7
71.04994	2.9
71.08622	1.8
71.60428	2.1
79.05495	25.7
80.05847	1.5
81.06578	2.3
81.07058	37.2
83.04993	1.5
83.08627	8.5
85.06541	2.3
89.06044	2.0
91.05479	25.4
93.07047	32.6
95.04964	4.0
95.08613	30.6
97.06567	2.0
97.10176	2.5
105.04539	1.2
105.07037	29.4
107.08601	19.6
109.06530	1.3
109.10162	11.2
117.07030	13.3
119.08586	21.8
121.10137	16.8
122.32437	1.4
123.11720	3.7
125.09615	1.7
129.07019	8.3
131.08578	15.5
133.10126	15.4
135.11691	12.0
141.06953	1.7
143.08577	10.9
145.10120	17.7
147.11670	13.3
149.09593	1.4
149.13281	5.2
155.08562	4.2
157.10153	10.0
159.11710	13.2
161.13263	9.5
163.14880	2.3
169.10136	5.8
171.11682	11.4
173.13229	9.6
175.14830	5.0
181.10141	2.3
183.11697	6.8
185.13297	5.4
187.14861	5.4
195.11731	1.9
197.13310	5.3
199.14841	5.0
201.16330	3.5
209.13275	3.1
211.14890	3.7
213.16470	3.3
215.18170	2.3
223.14732	1.9
225.16431	2.6
227.18094	2.4
231.21088	2.2
239.17940	2.4
241.19533	6.0
257.19113	1.7
259.20569	13.1
261.22052	2.3
333.24246	9.4
335.25848	14.1
339.27048	1.3
519.41943	5.3
537.43219	4.6
541.38580	1.3
593.45563	7.5
611.46692	100.0
612.46381	1.6
617.59918	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.3
55.01862	1.3
55.05511	13.8
57.03434	3.2
57.07074	4.6
65.03938	2.1
67.05503	25.6
69.07072	10.5
70.85925	1.7
70.86265	0.9
71.08630	1.5
79.05495	18.6
81.06576	1.3
81.07057	24.2
83.05008	1.9
83.08611	8.4
83.24523	0.6
85.06557	1.3
91.05482	13.0
93.07040	18.7
95.04973	2.2
95.08606	21.3
97.06524	2.1
97.10177	2.9
99.08046	1.0
103.54266	0.7
105.07029	16.8
107.08595	12.0
109.06514	1.7
109.10155	7.7
111.08097	1.3
117.07025	8.7
119.08574	13.7
119.09338	1.0
121.10136	7.7
123.08103	1.3
123.11721	2.1
125.09641	1.1
128.06236	2.3
129.07016	9.4
130.07845	1.0
131.08562	16.2
133.10123	8.9
135.11713	4.3
141.07011	3.1
142.07813	2.2
143.08562	11.7
145.10123	15.0
147.11703	4.5
149.13277	2.7
153.07001	0.8
155.08553	5.8
157.10123	11.1
157.11284	1.0
159.11707	9.9
161.13304	2.6
163.14905	1.1
167.08585	2.2
168.09361	1.0
169.10115	7.7
171.11682	10.0
173.13257	6.4
175.14845	1.7
175.97694	0.7
177.16461	1.1
179.08592	1.5
179.14340	1.3
181.10117	4.2
183.11685	8.5
185.13261	6.9
187.14836	4.4
189.16483	1.9
191.18060	1.5
193.10106	1.1
195.11748	3.3
197.13245	5.4
199.14864	4.9
201.16443	3.1
203.18019	1.4
205.44873	0.8
208.35619	0.8
209.13292	3.1
211.14793	4.5
213.16463	2.6
215.18004	2.6
217.19693	1.0
221.13281	1.4
223.14894	2.2
224.51103	0.8
225.16524	2.6
227.18016	2.7
229.19620	2.8
235.14871	1.4
237.16411	1.3
239.18021	1.5
241.19588	1.2
243.21182	0.8
251.17902	1.2
253.19592	1.3
255.21158	1.5
257.22723	1.5
265.19464	1.2
267.21152	1.1
275.20258	1.1
281.18747	0.8
341.28314	0.9
353.28287	1.2
371.25388	0.9
419.02908	0.9
501.41129	1.6
519.41956	8.6
529.39264	0.8
537.43176	5.2
541.39172	1.0
555.40344	0.9
593.45746	9.0
611.46741	100.0
612.47321	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	611.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57634	0.1
52.65287	0.1
57.03419	0.2
61.02889	0.2
67.01851	0.1
67.05501	0.2
68.99790	0.2
69.03432	0.5
69.07036	0.1
69.64636	0.1
70.06557	0.4
70.96930	0.3
71.04954	0.4
72.08139	0.2
73.02911	0.6
79.05468	0.1
81.03392	0.2
81.07031	0.1
83.04966	0.1
84.08125	0.1
85.02905	2.0
86.09706	0.2
93.07001	0.1
95.08580	0.2
97.02893	0.6
97.06497	0.2
97.78821	0.1
98.97540	0.1
105.07018	0.2
107.04917	0.2
107.08555	0.2
109.02856	0.2
121.06441	0.1
127.03899	0.3
133.04823	0.1
135.04424	0.9
137.02336	0.2
145.04939	0.4
153.00578	0.2
153.01816	3.1
156.10986	0.1
161.02370	0.3
171.02867	0.6
203.03398	0.1
241.04962	0.4
259.06097	0.2
262.25369	0.1
269.04422	0.3
271.05972	0.3
272.06271	0.1
273.06583	0.2
280.26340	0.3
286.04865	0.2
287.05490	100.0
288.05820	2.4
298.27490	0.2
299.27637	0.1
303.04926	0.8
316.28479	0.6
317.28815	0.3
438.69186	0.1
444.33350	0.1
449.10797	40.2
450.11087	1.1
494.53183	0.1
610.38019	0.9
611.15784	1.4
611.38477	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1606
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
57.03397	0.1
67.01843	0.1
67.05452	0.1
67.67076	0.1
68.99779	0.2
69.03409	0.1
70.02907	0.1
70.03316	0.2
70.06570	0.1
71.04958	0.1
73.73833	0.1
85.02892	0.3
91.05432	0.2
95.04961	0.1
98.97562	0.1
102.57715	0.1
105.07019	0.1
107.08555	0.1
121.10099	0.1
123.08033	0.1
123.11709	0.1
129.01778	0.1
129.43753	0.1
135.04419	0.7
137.02309	0.2
139.93329	0.1
145.35074	0.1
147.11679	0.1
153.01826	2.5
153.09198	0.1
158.99605	0.1
161.02315	0.2
171.02879	0.3
171.04340	0.1
173.13300	0.1
177.00754	0.1
179.03394	0.1
191.14323	0.1
199.03857	0.1
203.03291	0.1
207.13770	0.2
219.06540	0.1
225.14920	0.1
241.04883	0.3
259.06009	0.1
263.05551	0.2
269.04388	0.3
287.05487	100.0
288.05801	2.4
409.68393	0.1
416.18729	0.1
416.69315	0.1
417.19513	0.1
424.94604	0.1
449.10797	19.5
450.11050	0.8
573.63391	0.1
611.15997	1.2
611.25555	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	610.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	14.2
55.05517	27.0
57.03431	12.5
65.03925	4.2
67.05511	63.3
69.03414	5.1
69.07069	25.9
71.01337	3.8
71.05022	6.7
71.60567	7.6
79.05501	58.8
81.03429	18.9
81.07069	71.1
83.01358	12.2
83.04984	21.0
83.08624	19.7
85.02924	7.4
91.05460	42.3
93.07047	68.0
95.04951	18.6
95.08617	35.7
97.06536	14.8
97.10165	5.7
99.08202	4.5
104.85269	3.8
105.07032	35.2
107.04967	9.5
107.08611	36.9
109.06545	12.2
109.10173	10.6
111.08115	5.6
117.07026	17.0
119.08588	33.4
121.06530	7.2
121.10145	18.6
123.08084	9.5
125.06069	4.0
129.07031	5.6
131.08571	20.6
133.10173	22.7
135.08098	6.1
135.11665	23.1
137.09622	5.8
143.08620	4.1
145.10110	24.2
147.08051	4.5
147.11694	12.9
149.09584	9.2
149.13312	5.1
157.10117	5.5
159.11700	15.3
163.11191	26.8
185.13385	4.3
195.13826	5.5
209.11737	8.7
210.81056	3.6
227.12746	7.9
255.15956	10.0
257.19043	8.4
269.17453	15.9
275.20071	28.3
283.15448	80.3
309.12186	3.6
349.23825	16.9
355.07034	7.6
393.76123	4.3
463.27191	21.2
477.28500	100.0
557.34558	16.2
575.35321	10.7
577.21014	4.0
610.36139	4.7
610.45331	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	611.1605
Annotation	Luteolin-3',7-di-O-glucoside
Peak:m/z	Relative Intensity
60.82610	0.1
65.58884	0.1
67.01822	0.1
69.03428	0.2
69.89424	0.2
70.94090	0.4
71.16411	0.1
85.02865	0.5
97.02855	0.2
127.03896	0.2
129.75916	0.1
135.04379	0.6
137.02322	0.4
138.90337	0.1
153.00691	0.2
153.01831	2.6
161.02307	0.4
171.02872	0.4
203.10771	0.2
241.05025	0.3
271.06012	3.4
272.06335	2.3
273.06589	2.4
273.09302	0.2
286.04587	0.3
287.05496	100.0
288.05841	2.0
342.92767	0.2
373.78723	0.2
449.10815	32.2
450.11053	1.2
611.15936	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	610.38
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01841	0.6
55.05507	2.2
56.05025	1.4
57.03439	5.0
57.07048	0.4
60.04525	2.3
61.02922	3.0
62.57656	0.3
67.05510	3.0
68.04998	0.4
69.03436	4.8
69.07066	2.3
70.06551	1.1
70.67284	0.5
70.67619	0.4
71.01311	1.0
72.04496	0.5
73.02921	19.8
74.06027	0.3
79.05476	1.7
81.03377	0.8
81.07068	2.9
82.06538	0.8
83.08576	1.3
84.08126	0.7
84.45104	0.3
85.02909	10.6
86.06013	1.2
86.40570	0.3
87.04424	1.2
91.03944	0.5
91.05437	1.1
91.60249	0.3
93.07014	1.3
95.04906	0.4
95.08601	2.5
96.08127	1.7
97.02892	4.6
97.06506	0.4
97.10130	0.5
99.04424	0.5
103.03934	0.4
104.41098	0.3
107.08587	0.8
109.02838	0.9
109.10126	1.0
110.09629	0.4
114.09137	0.9
115.03927	2.8
118.97313	0.3
121.10114	0.9
123.11654	0.4
127.03930	2.1
130.08612	0.3
133.04912	0.9
135.11705	0.3
145.04947	0.8
179.29785	0.3
196.20657	0.3
197.09857	0.3
210.22208	0.5
236.23752	6.8
248.08028	0.4
250.25322	0.5
254.24797	3.5
262.25281	3.0
280.26364	18.3
281.26746	0.4
287.05524	1.8
296.25647	0.4
297.04034	0.5
298.27420	30.1
299.27808	0.6
316.28476	38.8
323.86325	0.4
340.28506	0.8
358.29712	1.1
393.53125	0.3
430.31403	0.4
442.31943	0.6
448.32816	1.0
449.09491	1.1
460.32785	1.6
478.33755	10.4
592.36798	1.9
610.37982	100.0
611.38342	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	610.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	1.0
55.01866	2.4
55.05508	5.4
57.03443	1.3
57.07073	73.6
61.02937	0.7
67.05161	1.0
67.05502	9.2
69.03430	4.9
69.07063	7.8
70.35344	0.8
70.35738	1.1
71.04988	5.3
71.08636	2.5
73.02925	0.6
77.85264	0.4
79.05489	5.5
81.03416	3.8
81.07054	9.2
83.04982	1.0
83.08604	4.7
85.02898	7.0
85.06551	0.9
85.10189	1.0
87.00830	2.4
91.05460	8.7
93.07044	13.1
95.04974	1.8
95.08605	24.0
97.02903	3.6
97.06535	2.6
97.10161	7.5
99.04456	1.4
99.08085	2.7
99.11724	10.8
101.02377	0.7
105.01861	1.2
105.07010	3.9
107.08585	5.9
109.02900	2.6
109.06535	1.4
109.10159	10.6
111.08092	1.2
111.11713	4.4
115.11182	1.2
116.24028	0.5
117.07036	1.5
119.08582	16.6
121.06488	0.7
121.10141	14.8
123.08060	5.5
123.11686	2.7
125.13284	1.0
127.03923	3.2
127.11174	4.4
131.08566	1.8
133.10124	1.3
135.08072	1.5
135.11694	3.9
137.09608	15.7
137.13252	1.4
138.82037	0.5
139.11224	0.7
143.55647	0.5
145.04968	1.0
145.10153	1.5
145.12228	3.4
147.08055	2.7
147.11757	0.9
149.09630	2.2
149.13229	4.5
151.11125	0.5
151.14763	2.3
153.09039	0.9
155.10649	2.6
157.10143	0.7
159.02916	1.1
159.11734	0.6
163.11221	1.1
163.14781	2.9
165.09128	3.5
167.10692	0.7
167.14342	1.7
167.17975	1.1
169.15996	0.5
173.13249	1.1
181.15843	0.9
183.10103	2.3
195.13760	0.5
201.11209	7.6
205.19508	3.0
210.96227	0.5
219.21045	7.4
229.19475	2.8
237.22150	6.9
239.23657	6.6
241.21629	11.5
247.20512	2.3
255.23137	0.6
256.15970	0.7
265.21622	48.6
272.06613	0.6
283.22665	90.7
284.22903	0.6
287.05728	0.5
301.23727	100.0
302.24142	0.9
320.49713	0.5
327.25464	1.6
345.26428	1.1
355.06976	0.7
448.27658	0.7
610.33270	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	610.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01861	2.4
55.05513	6.3
56.96568	1.4
57.03440	2.1
57.07077	81.1
57.67773	1.4
58.89224	1.3
58.92274	1.4
60.45885	1.5
61.02944	1.7
67.05505	13.3
69.03425	7.7
69.07056	8.9
71.05000	7.2
71.08629	3.2
73.02959	2.2
79.05507	7.6
81.03427	10.5
81.07052	12.0
82.07417	1.6
83.04979	2.1
83.08624	5.4
85.02908	10.7
85.06546	1.9
87.00834	4.1
91.03991	1.8
91.05449	9.2
93.07041	12.3
95.04942	2.5
95.08610	21.2
97.02895	5.2
97.06539	5.6
97.10168	8.8
99.04446	2.0
99.11731	9.8
105.01830	1.7
105.07061	6.1
107.08606	6.7
109.02861	3.6
109.10164	10.8
111.11733	5.7
115.11210	1.7
119.08575	10.6
121.06517	1.6
121.10143	14.8
123.08063	7.0
123.11729	2.9
125.09628	2.7
127.03957	6.9
127.11190	8.3
131.08588	2.8
133.10158	3.4
135.08115	1.5
135.11697	6.4
137.09639	6.6
137.13252	2.3
139.04759	1.4
145.10080	2.1
145.12294	4.4
147.08054	1.6
147.11722	2.5
149.09615	4.1
149.13277	5.0
153.09116	3.1
163.11157	1.5
163.14816	2.6
165.09094	3.2
183.07834	1.6
186.97098	1.5
193.12251	2.2
200.73470	1.3
201.11320	3.9
205.19498	2.8
208.41998	1.6
219.21059	9.3
229.19720	2.1
237.22063	7.1
239.23778	5.7
239.81261	1.6
241.21596	13.6
247.20656	2.3
265.21631	52.8
283.22684	91.5
287.05502	2.0
301.23737	100.0
309.24280	2.9
327.24997	1.7
355.07010	2.7
610.33356	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	609.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	1.9
53.03931	6.2
55.01867	6.2
55.05510	22.4
55.76102	1.7
57.03434	7.5
65.03936	4.8
67.05505	64.0
69.03400	1.9
69.07066	26.8
69.31146	19.7
71.04995	3.8
71.10669	1.5
79.05492	59.6
81.03417	5.4
81.07056	62.4
83.04984	6.8
83.08608	8.7
85.06563	5.7
91.05478	63.0
93.07045	66.4
95.01344	5.3
95.04961	12.0
95.08607	43.8
97.06535	10.0
97.10160	2.4
99.04460	2.4
101.09650	1.9
103.05482	1.6
105.04556	2.0
105.07025	60.9
107.04951	9.4
107.08586	32.1
109.06520	8.4
109.10164	14.3
111.04471	1.7
111.08091	3.1
115.05426	2.9
117.07014	22.4
119.08579	43.5
121.06515	2.9
121.10144	18.9
123.08050	5.1
123.11728	4.0
128.06276	2.5
129.06999	4.6
131.08578	29.6
133.10129	33.9
135.08022	3.0
135.11707	12.7
137.09595	4.2
141.07079	1.8
143.08565	6.7
145.10106	27.2
147.11673	15.0
149.09630	4.5
149.13275	4.6
153.12791	2.5
155.08589	4.1
157.10170	5.7
159.11673	15.9
161.13254	5.3
163.11230	4.1
163.14847	2.0
165.01297	1.7
169.10176	5.0
171.11722	5.9
173.13252	7.8
175.14793	1.9
177.12683	2.3
179.14339	5.8
183.11714	4.7
185.13319	4.1
187.14827	2.0
195.11734	3.0
197.13269	4.8
201.16460	3.8
203.14438	2.1
211.14804	1.9
219.17444	56.3
229.19501	2.3
239.17981	3.7
247.20753	2.3
255.32707	1.8
257.18973	10.7
261.22168	2.1
275.20059	53.1
293.21094	5.5
331.22839	2.9
335.25946	4.0
349.23907	3.5
591.44257	3.2
609.45093	100.0
610.45544	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	609.4518
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
55.05518	10.5
57.03432	1.8
65.68584	1.5
67.05505	23.6
69.07081	10.7
69.79330	8.2
69.79739	2.1
79.05497	12.5
81.07064	21.2
83.08611	5.9
91.05488	12.6
93.07046	16.0
95.04980	2.3
95.08608	17.2
97.06575	3.5
97.10201	2.9
98.25587	1.5
105.07057	12.7
107.08599	9.5
109.10157	8.0
113.06950	1.6
115.76772	1.7
117.07026	7.0
119.08589	11.3
121.10184	7.6
123.11716	2.2
128.06223	2.3
129.06998	6.5
131.08565	11.8
133.10118	11.1
135.11749	3.5
141.07014	4.2
143.08568	9.9
145.10120	10.1
147.11722	3.9
149.13307	1.9
155.08607	8.3
157.10103	10.0
159.11711	11.4
161.13290	3.7
167.08591	3.2
169.10161	9.7
171.11682	10.6
173.13310	4.7
181.10179	5.4
183.11693	9.1
185.13280	7.0
187.14825	3.1
195.11740	6.8
197.13307	6.5
199.14880	3.7
207.11797	2.1
209.13243	6.8
211.14798	5.8
213.16393	1.8
221.13223	2.2
223.14822	4.0
225.16420	4.6
237.16614	1.9
239.18033	3.9
251.18033	1.9
253.19626	2.0
275.20132	4.2
351.26956	2.1
511.37833	7.1
517.40460	7.6
535.41357	6.8
553.42426	1.6
591.44202	12.4
609.35828	9.4
609.45105	100.0
610.45093	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	609.4515
Annotation	Batzelladine I
Peak:m/z	Relative Intensity
53.03936	1.9
55.01860	1.7
55.05511	12.4
57.03423	2.7
57.07072	3.1
65.03938	1.4
67.05505	25.0
67.58463	1.2
69.07066	11.1
69.26791	3.0
69.27187	15.2
71.04996	2.8
74.22456	1.4
79.05490	17.0
79.24624	1.1
81.07056	24.4
83.08616	4.9
85.06484	1.4
91.05474	14.1
93.07051	18.2
95.04957	3.0
95.08617	20.6
97.06539	2.7
97.10165	3.8
105.07025	16.6
107.08604	12.1
109.10131	9.9
111.08127	1.5
117.06976	6.3
119.08589	12.7
121.06531	1.2
121.10152	6.4
123.11694	2.9
128.06168	1.3
129.07014	6.3
131.08569	9.5
133.10130	9.4
135.11725	4.8
139.98697	1.3
141.06990	4.9
142.07780	1.5
143.08563	12.5
145.10141	11.7
147.11697	6.7
149.13264	2.3
155.08571	10.1
157.10139	10.9
159.11690	10.6
161.13277	3.9
163.11119	1.6
165.07005	1.7
167.08571	4.0
169.10144	14.4
171.11673	8.9
171.49120	1.2
173.13216	6.6
175.14760	1.7
181.10120	7.3
183.11717	14.0
185.13327	7.9
187.14879	4.2
193.10095	2.2
195.11708	6.4
197.13261	9.2
199.14868	5.0
201.16431	2.0
207.11725	3.6
209.13271	4.9
211.14906	6.9
213.16438	3.2
221.13338	2.5
223.14818	5.8
225.16414	4.4
227.18106	2.6
235.14746	2.4
237.16338	2.3
239.17998	3.4
241.19797	1.9
250.18867	1.2
251.18021	2.4
257.19012	2.2
265.19467	2.1
276.60590	1.1
281.22260	1.4
292.82986	1.3
339.23145	1.6
353.24585	1.5
386.06107	1.3
409.31305	1.6
511.37848	3.8
517.40430	11.5
535.41516	6.3
573.43317	2.5
591.44031	12.6
609.35699	5.3
609.45026	100.0
610.45557	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	609.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	9.3
55.01875	6.9
55.05514	25.0
57.03442	12.1
59.04984	1.4
61.02919	2.3
61.63765	1.1
65.03947	2.9
65.08807	1.3
67.05505	51.8
69.03432	18.8
69.07072	15.8
71.01368	2.6
71.05001	6.8
71.08603	1.2
73.02911	1.5
77.03929	1.2
79.05499	48.6
79.05968	2.3
81.03419	90.5
81.07059	37.1
83.04981	23.5
83.08611	18.0
85.02915	14.7
85.06541	3.9
91.05481	37.0
93.07047	46.6
95.04973	25.7
95.08605	13.8
97.02901	17.0
97.06544	9.1
97.10197	11.6
99.04482	5.6
105.07030	21.6
107.04954	10.0
107.08599	31.7
109.02880	16.4
109.06535	7.7
109.10167	12.0
111.04436	15.3
111.08077	7.5
113.05983	2.1
115.05447	2.0
117.07029	8.1
119.04926	1.6
119.08582	17.0
120.06348	1.2
121.06524	5.8
121.10136	12.7
123.04448	1.3
123.08105	4.4
123.11713	3.1
125.09669	5.6
127.03922	11.0
128.06293	1.8
129.05464	1.6
129.07039	8.4
131.04904	1.8
131.08569	10.9
133.06529	3.7
133.10135	12.7
135.08087	3.8
135.11693	28.2
137.09622	3.0
140.27469	1.1
141.06995	2.5
143.08604	3.6
145.06465	2.7
145.10126	12.7
146.75513	1.3
147.08073	5.2
147.11705	11.0
149.05978	1.4
149.09624	6.9
151.11208	1.8
153.12749	3.6
155.08575	2.6
157.10173	10.0
159.11693	3.0
163.11192	10.0
165.09088	1.7
165.12741	3.1
167.08813	1.3
169.10266	2.5
171.08122	1.5
171.11662	1.7
173.04532	2.4
173.09689	1.5
175.11198	7.3
181.10022	1.3
181.12262	12.1
183.11642	1.5
185.13258	1.3
189.11256	1.3
191.10661	6.1
193.12230	26.0
193.13832	1.7
205.12347	1.8
209.11848	2.2
211.11391	1.6
211.13283	36.2
211.15239	2.1
223.13252	1.5
227.12778	7.1
229.14424	2.7
229.77629	1.6
235.13310	1.3
237.14928	1.3
243.13922	1.6
249.14989	2.6
253.14368	1.7
255.13586	2.0
255.15952	12.7
261.14862	1.7
267.15991	4.9
271.06094	2.9
273.14865	1.5
283.15494	4.0
285.17065	4.8
289.14542	1.9
291.19717	2.0
296.90976	1.5
325.16473	6.1
337.16492	3.1
337.21857	1.3
345.16907	1.5
355.17654	6.8
355.22742	2.2
363.17792	2.2
373.23773	1.7
381.18896	3.0
393.19083	2.3
393.59909	1.4
411.20325	3.6
421.25879	2.9
429.26550	3.4
438.01627	1.3
447.27438	19.8
465.28516	14.9
470.48022	1.3
481.28152	1.6
489.28226	2.2
573.30499	2.1
591.30951	6.2
609.32727	100.0
610.33423	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	609.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79127	1.4
53.03939	5.5
55.01872	4.0
55.05506	6.1
57.03437	12.6
61.02924	38.4
63.49675	1.6
67.05495	11.9
68.94790	1.7
69.03426	21.7
69.07077	5.4
70.06586	1.8
70.84747	1.8
70.85110	4.8
71.01348	1.9
71.04990	6.5
71.13387	1.5
73.02923	14.2
79.05486	19.5
81.02924	2.6
81.03417	54.9
81.07054	16.9
83.04981	12.6
83.08627	12.2
84.04467	1.8
84.16691	1.9
85.02904	66.3
86.09687	4.7
87.04463	2.3
90.69308	1.7
91.03957	32.0
91.05482	22.7
93.07055	12.8
95.04964	17.8
95.08604	7.3
97.02894	42.3
97.06534	3.1
97.10188	3.4
99.04460	7.5
99.97091	1.4
101.02386	4.8
103.03949	4.8
105.07018	15.3
107.04951	6.0
107.08572	5.5
109.02901	9.3
109.06499	3.5
111.04440	5.5
111.08100	8.8
115.03941	4.4
116.10762	3.1
119.04988	2.1
119.08583	11.4
121.10165	5.0
123.08108	3.1
127.03900	19.9
129.05464	3.4
129.06992	8.0
131.08586	9.9
133.06514	3.2
133.10138	9.4
136.07643	1.8
142.07784	2.0
145.04936	13.9
145.10085	2.9
147.08046	2.9
147.11684	14.6
149.09628	4.4
157.10127	9.6
158.66510	1.8
163.06046	4.1
165.12828	3.0
171.06686	4.1
174.89561	2.2
175.11201	15.5
180.07272	4.6
183.06581	7.0
193.12248	50.2
194.28166	1.6
201.07613	4.6
211.13301	83.3
212.16490	4.2
229.14331	1.9
252.09381	6.9
267.15863	24.3
271.06009	100.0
272.06302	6.1
285.10202	2.4
285.16959	82.8
287.05472	20.4
288.06122	1.6
301.14285	2.5
309.16995	4.7
313.16431	5.6
333.11868	12.0
333.61972	3.6
355.17596	2.2
375.18039	3.2
393.18985	4.6
411.20157	9.2
429.21210	20.6
429.26440	2.7
447.09195	5.1
447.21796	3.1
463.09076	2.8
609.27423	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	609.2756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18785	0.4
53.03940	0.9
53.29688	0.4
55.01874	1.1
55.05497	2.0
57.03442	2.9
61.02642	0.6
61.02926	6.3
67.01881	0.4
67.05505	3.6
69.03429	4.4
69.07057	1.5
70.06580	0.7
71.01353	0.6
71.04990	1.6
71.60534	0.7
72.08144	0.7
73.02568	0.5
73.02921	3.3
74.32542	0.4
79.05489	3.2
81.03420	19.0
81.07063	4.1
83.04987	2.9
83.08607	3.9
84.04475	0.5
84.08141	0.8
85.02909	10.0
85.06522	0.6
86.06059	1.4
86.09690	0.5
87.04456	0.4
87.05577	1.0
91.03964	4.1
91.05479	4.6
93.03391	0.4
93.07043	2.6
95.04967	5.2
95.08617	1.2
96.08138	0.5
97.02906	5.8
97.06538	0.8
98.09663	0.5
99.04456	1.3
101.02356	0.7
103.03936	1.0
105.07028	3.5
107.04949	1.8
107.08588	1.7
109.02868	1.4
109.06514	1.7
109.10190	1.0
111.04458	1.0
111.08077	1.8
116.10729	4.7
117.07018	0.8
117.11075	0.9
119.04932	1.7
119.08563	2.9
121.06509	0.7
121.10151	2.5
123.04424	0.9
123.08074	0.6
127.03905	3.6
129.05495	0.6
129.07004	2.3
131.00191	0.6
131.08568	2.5
133.06525	0.6
133.10118	1.9
135.08096	0.5
135.11667	0.6
136.07536	0.5
137.06004	1.3
142.07767	0.8
143.05461	0.7
145.02824	0.6
145.04933	1.3
145.06468	0.5
147.08047	0.9
147.11665	3.6
149.01208	0.7
149.09639	1.1
151.07574	0.7
153.01833	3.1
153.12651	0.6
156.03644	0.6
157.10129	3.1
159.11662	0.5
161.09547	0.6
163.03886	0.5
163.06085	0.8
163.11151	0.9
165.05455	0.7
165.06769	0.7
165.12741	0.8
171.02888	0.9
171.06708	0.7
173.05920	0.6
175.11192	3.7
177.00769	0.5
180.07231	1.5
181.04901	0.6
183.06506	0.9
191.58121	0.9
193.12257	13.6
200.12711	0.4
211.13307	10.2
211.15260	0.8
219.10185	1.3
225.05701	0.5
229.05099	0.5
229.14351	0.5
235.13162	1.0
243.08885	0.5
252.09406	2.3
259.13303	0.6
267.09290	0.6
267.15918	7.7
271.06018	100.0
272.06424	4.8
285.10110	0.8
285.16977	21.9
287.05576	1.7
288.05869	0.8
289.05975	0.7
309.17001	2.5
324.11395	2.5
324.61636	0.6
325.06860	0.6
331.15521	0.9
332.20654	6.1
333.12073	4.5
333.20981	6.1
333.62119	0.7
340.12961	0.8
349.13474	2.1
351.17795	0.7
358.07297	0.5
363.18005	0.7
369.09537	0.9
375.18091	0.9
393.18918	1.4
411.19855	1.3
415.10944	0.5
429.21298	3.7
447.09286	5.5
494.26059	0.5
495.26230	2.6
519.17865	0.6
591.13226	2.7
592.13452	0.6
609.13544	0.6
609.26794	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	609.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75603	1.0
55.05514	2.3
57.03438	1.2
60.93336	1.2
62.41295	1.0
67.05508	8.8
69.07063	2.4
70.36512	3.6
71.98035	1.2
73.65299	1.0
79.05487	6.4
81.07059	7.4
82.72945	1.0
83.08636	1.4
85.48720	1.0
91.05476	4.4
93.07050	4.6
95.04989	2.2
95.08612	4.6
97.06530	1.2
105.04436	1.0
105.07040	4.5
107.08610	3.4
109.06480	1.2
109.10122	1.7
117.07013	2.7
119.08589	4.0
121.10133	1.6
129.06993	1.3
131.08575	3.5
133.10139	3.1
135.11754	2.0
145.10135	2.9
155.08527	1.1
157.10179	1.7
159.11723	2.5
161.13136	1.1
169.10121	1.0
179.14253	1.2
233.29097	1.2
250.14841	1.3
257.18832	1.3
275.20007	4.9
391.19220	2.7
392.19977	1.4
405.20901	3.2
407.22415	3.3
415.18802	1.4
417.80139	1.1
421.23874	3.5
429.21030	2.0
433.20114	1.8
449.23901	1.4
459.22235	1.4
461.14023	1.3
461.19025	4.9
462.20197	1.7
463.21561	1.5
475.21231	7.7
476.21884	4.8
477.22833	4.2
478.23352	1.8
485.23428	5.3
486.20462	1.3
488.22089	1.2
489.22717	3.9
494.26978	1.5
499.21432	2.7
503.24518	6.5
513.23065	1.5
515.24646	4.0
517.22675	1.5
521.25623	2.4
531.23798	8.4
549.25189	2.5
550.25708	4.4
559.23468	5.4
577.24054	2.3
591.26105	10.6
609.27032	100.0
609.44495	18.8
610.27332	2.6
617.65778	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	609.2706
Annotation	Epoxypheophorbide a
Peak:m/z	Relative Intensity
53.03934	0.5
55.01873	0.9
55.05513	2.2
57.03430	0.5
59.98847	0.5
60.61449	0.4
65.03925	0.5
67.05502	5.1
69.07052	2.3
69.29182	4.9
78.87013	0.4
79.05494	5.5
81.07059	4.8
83.04984	0.8
83.08625	1.1
91.05489	4.3
93.07038	5.1
95.04964	0.7
95.08607	3.4
95.20616	0.4
97.06561	0.7
97.10154	0.5
105.07046	4.2
107.08595	2.9
109.10157	1.9
109.84061	0.4
117.07036	1.7
119.08578	2.6
121.10167	1.6
125.09576	0.5
129.07033	0.6
131.08568	2.6
133.10121	2.2
135.11674	0.8
143.08580	1.3
145.10101	3.3
147.11699	1.2
149.09601	0.6
149.13214	0.6
155.08635	0.6
157.10095	1.0
159.11659	2.0
163.11163	0.7
169.10115	0.7
171.11687	1.5
173.13264	0.8
179.14293	0.7
183.11699	1.2
185.13300	0.9
191.95105	0.6
197.13292	0.5
200.58687	0.4
209.13487	0.5
237.13837	0.4
239.17862	0.5
257.19046	1.5
275.20099	3.7
331.22620	0.8
335.25714	0.6
377.17789	0.6
378.18622	0.7
388.17874	0.7
389.18320	1.0
390.18628	0.4
391.19312	1.4
392.20078	1.4
393.20721	0.6
400.17065	0.5
400.82782	0.4
401.17743	1.1
404.20459	0.7
405.20935	2.9
406.21741	1.9
407.22220	2.9
413.17532	0.9
414.18457	0.5
415.19147	2.5
416.19998	0.8
417.21393	0.6
419.18176	0.9
419.22980	0.8
420.23160	1.1
421.23846	4.3
422.24808	0.5
427.19345	0.6
428.20334	0.7
429.20828	2.9
430.22232	1.3
431.18353	0.7
431.23154	0.7
432.19409	0.7
433.15326	0.5
433.20078	1.9
435.22147	0.6
441.21295	0.5
442.21887	0.4
443.23001	0.7
444.23157	1.6
445.20352	1.2
446.21066	0.5
447.18182	2.1
448.18576	0.5
449.23502	0.9
451.21838	0.5
456.19479	0.6
457.24551	2.0
459.22055	3.0
460.22784	1.6
461.19312	7.2
462.20578	2.0
463.21396	1.2
470.21118	0.5
471.17859	0.6
472.22510	1.0
473.19443	0.5
474.20389	0.6
475.20938	7.4
476.21634	5.6
477.22217	4.1
478.23462	0.6
479.24530	0.6
485.23581	8.3
486.20078	2.7
487.25754	0.8
488.22513	0.6
489.23087	5.2
494.26953	0.9
497.23325	0.7
499.21109	2.5
500.22003	1.3
502.23492	0.7
503.24673	5.7
504.21164	1.2
504.25833	0.4
507.24179	0.5
513.23035	1.7
515.24396	8.2
517.22742	0.9
518.23413	0.5
521.25848	3.5
531.23944	16.1
533.25806	0.7
535.23529	0.8
541.22339	0.6
548.23499	0.4
549.25006	1.8
550.25836	4.5
559.23254	6.7
577.24603	1.2
591.26007	28.4
592.26300	0.9
609.27057	100.0
609.43738	13.3
610.27399	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	609.1448
Annotation	Luteolin 7-glucuronide-4'-rhamnoside
Peak:m/z	Relative Intensity
50.55215	0.2
52.19878	0.1
66.47328	0.1
67.01862	0.2
67.05490	0.1
68.99821	0.2
69.03399	0.2
69.07082	0.2
69.92431	0.6
69.92844	0.3
70.06578	0.3
72.08176	0.2
81.03371	0.2
84.08131	0.1
85.02892	0.6
86.09705	0.7
91.05452	0.3
97.02868	0.3
98.21529	0.2
98.89741	0.2
105.07002	0.2
119.04945	0.9
119.99064	0.2
120.08066	0.5
121.02863	0.3
131.04872	0.2
136.07571	0.2
145.02798	0.3
153.01813	2.2
156.93581	0.2
163.03963	0.3
164.11028	0.2
168.51250	0.2
171.02876	0.4
171.93100	0.2
174.85135	0.1
225.05466	0.2
271.05988	100.0
272.06287	1.2
433.11292	13.8
434.11884	0.2
447.09216	7.3
511.10110	0.1
570.35486	0.2
608.30182	0.2
609.14313	5.5
609.30072	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	0.1
61.02925	0.1
67.01878	0.4
68.99818	0.3
69.03421	0.5
70.71027	0.2
71.01362	0.2
73.02894	0.1
81.03376	0.2
85.02898	1.8
87.04492	0.1
90.86916	0.1
91.05460	0.3
94.69691	0.1
95.01365	0.1
97.02892	0.6
97.21584	0.1
99.04427	0.1
99.99178	0.1
109.02871	0.2
111.98476	0.1
113.02396	0.1
119.04939	1.3
121.02859	0.6
121.03942	0.1
127.03915	0.4
129.01825	0.1
131.03381	0.1
141.01781	0.6
145.02786	0.6
145.04932	0.4
153.01825	3.4
159.02867	0.2
160.08698	0.1
163.03885	0.4
171.02867	0.6
187.03947	0.1
203.07056	0.1
225.05490	0.2
229.04987	0.3
240.57709	0.1
243.06581	0.2
247.06073	0.1
253.05014	0.1
270.04984	0.1
271.06000	100.0
272.06320	0.9
283.06033	0.2
287.05515	1.2
313.06720	0.2
325.01053	0.1
447.09235	7.1
498.75876	0.1
600.61517	0.1
609.14508	2.1
635.91162	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	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
59.08880	0.6
59.46929	0.6
67.05489	0.6
69.24116	0.6
70.86490	1.4
70.86836	0.9
74.69343	0.6
76.20694	0.6
105.88955	0.5
131.69099	0.5
138.78653	0.6
171.73647	0.5
180.38289	0.6
238.63797	0.6
253.95381	0.6
319.24652	0.7
387.16290	0.7
403.19339	2.6
404.20004	1.3
405.20953	1.1
417.21426	2.8
418.21780	1.3
419.22491	2.6
431.18146	5.8
432.18881	1.6
432.24017	1.0
433.23962	6.0
434.24954	1.0
445.19894	7.2
446.20657	4.2
447.21814	4.1
459.21445	3.0
460.22440	9.4
461.23380	9.0
473.23398	2.7
474.24469	0.9
487.24863	1.3
487.77423	0.7
505.22620	2.5
519.23676	0.8
519.27911	0.7
547.27026	30.1
548.26984	0.8
575.26361	1.1
578.25085	0.7
607.29126	100.0
608.29395	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	607.2553
Annotation	Trigonosin B
Peak:m/z	Relative Intensity
55.05510	6.1
67.05504	11.4
69.07059	4.3
71.62242	5.5
79.05492	8.1
81.07054	7.0
91.05516	3.4
93.07066	5.2
95.08623	7.3
107.08614	3.9
109.10169	5.5
119.08540	4.6
133.10173	5.5
144.30281	3.3
145.10168	2.7
155.08594	3.5
157.10095	5.0
159.11699	3.4
169.10162	3.5
174.98241	3.1
178.33217	3.2
299.20468	2.6
324.14578	3.9
328.06683	3.0
417.16754	4.2
431.18564	5.0
433.20419	4.1
445.20496	7.8
446.21127	3.6
447.21545	7.9
474.20227	5.2
475.21426	6.4
509.36108	7.5
519.24280	14.6
547.23096	12.5
579.25867	4.3
607.25488	100.0
607.33643	6.7
607.43384	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	606.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05514	3.4
57.03436	2.1
60.04506	0.8
61.02914	1.4
62.06091	0.7
67.05510	5.1
69.03420	5.2
69.07055	2.9
70.06590	1.5
71.04974	1.5
71.07341	0.9
71.08630	5.4
71.61156	1.0
72.08148	1.8
73.02916	1.0
77.90399	0.7
79.05487	3.3
81.03416	2.4
81.07065	7.1
82.06574	0.7
83.04977	1.5
83.08630	1.1
84.08133	1.5
85.02895	5.4
85.06528	1.2
86.06066	15.7
86.09712	1.1
91.05493	3.3
91.40809	0.6
93.07050	6.4
94.07344	0.7
95.04954	1.4
95.08591	3.5
96.08125	2.6
97.02890	3.5
97.06522	2.1
98.06082	1.0
98.09699	6.3
99.08104	7.7
104.05403	0.6
105.07014	2.4
107.04999	0.9
107.08602	3.5
108.08126	2.4
109.02859	1.4
109.10146	3.1
116.10732	44.7
119.08564	1.7
119.77502	1.0
121.06510	1.0
121.10135	5.5
122.09682	2.7
123.08092	0.8
123.11670	1.0
124.07623	1.2
127.03916	3.3
131.08571	2.8
133.10123	1.7
137.09644	0.9
138.09061	0.9
139.11154	1.0
140.10683	0.9
142.12241	1.3
143.08401	0.7
143.10638	2.9
147.11700	2.0
149.09662	2.1
149.13210	1.2
159.11676	1.3
166.15903	1.0
167.10643	1.7
172.72528	0.7
196.17075	0.7
202.78973	0.7
214.18024	14.0
243.12129	0.9
248.19908	0.9
252.19612	2.1
261.13333	2.5
262.42981	0.7
264.19662	1.2
266.21091	1.6
270.20642	3.2
271.53738	0.8
275.14960	0.8
282.20688	1.7
284.22220	5.9
287.05722	0.9
300.21732	4.8
316.13797	0.9
328.21133	5.9
346.22235	100.0
347.22910	0.9
363.62085	0.8
376.23471	1.4
426.28586	2.0
442.17758	0.9
444.29556	25.8
468.17279	0.9
469.18106	1.3
508.27414	14.9
588.24969	0.8
606.26605	1.0
606.34808	12.3
628.34875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	606.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.1
55.05514	3.4
57.03436	2.1
60.04506	0.8
61.02914	1.4
62.06091	0.7
67.05510	5.1
69.03420	5.2
69.07055	2.9
70.06590	1.5
71.04974	1.5
71.07341	0.9
71.08630	5.4
71.61156	1.0
72.08148	1.8
73.02916	1.0
77.90399	0.7
79.05487	3.3
81.03416	2.4
81.07065	7.1
82.06574	0.7
83.04977	1.5
83.08630	1.1
84.08133	1.5
85.02895	5.4
85.06528	1.2
86.06066	15.7
86.09712	1.1
91.05493	3.3
91.40809	0.6
93.07050	6.4
94.07344	0.7
95.04954	1.4
95.08591	3.5
96.08125	2.6
97.02890	3.5
97.06522	2.1
98.06082	1.0
98.09699	6.3
99.08104	7.7
104.05403	0.6
105.07014	2.4
107.04999	0.9
107.08602	3.5
108.08126	2.4
109.02859	1.4
109.10146	3.1
116.10732	44.7
119.08564	1.7
119.77502	1.0
121.06510	1.0
121.10135	5.5
122.09682	2.7
123.08092	0.8
123.11670	1.0
124.07623	1.2
127.03916	3.3
131.08571	2.8
133.10123	1.7
137.09644	0.9
138.09061	0.9
139.11154	1.0
140.10683	0.9
142.12241	1.3
143.08401	0.7
143.10638	2.9
147.11700	2.0
149.09662	2.1
149.13210	1.2
159.11676	1.3
166.15903	1.0
167.10643	1.7
172.72528	0.7
196.17075	0.7
202.78973	0.7
214.18024	14.0
243.12129	0.9
248.19908	0.9
252.19612	2.1
261.13333	2.5
262.42981	0.7
264.19662	1.2
266.21091	1.6
270.20642	3.2
271.53738	0.8
275.14960	0.8
282.20688	1.7
284.22220	5.9
287.05722	0.9
300.21732	4.8
316.13797	0.9
328.21133	5.9
346.22235	100.0
347.22910	0.9
363.62085	0.8
376.23471	1.4
426.28586	2.0
442.17758	0.9
444.29556	25.8
468.17279	0.9
469.18106	1.3
508.27414	14.9
588.24969	0.8
606.26605	1.0
606.34808	12.3
628.34875	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.4775
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19041	3.3
55.01865	16.9
55.05512	21.9
57.03429	10.1
57.07078	52.5
65.03961	4.2
67.05177	4.6
67.05502	61.9
69.07069	25.9
70.73282	3.1
71.08633	36.3
71.60227	6.0
71.80877	3.5
72.41389	3.1
74.47716	4.3
79.05494	40.5
81.03389	4.6
81.07056	85.7
83.04977	5.7
83.08629	22.0
84.04517	6.8
85.06505	3.3
85.10178	14.3
88.80631	3.5
91.05476	39.1
93.07043	34.3
95.04962	10.6
95.08607	56.9
97.06561	17.4
97.07074	3.6
97.10162	20.8
105.07024	38.7
107.04943	18.4
107.08588	45.7
109.06508	13.9
109.10146	26.7
111.08133	3.9
117.07000	12.4
119.08588	27.1
121.10128	11.8
123.08044	5.7
123.11658	16.3
125.09595	13.7
131.08569	20.2
133.10143	27.1
135.08017	6.2
135.11705	8.5
142.30566	3.4
143.08572	3.6
144.06584	7.5
145.10161	17.9
147.11697	20.2
149.09570	23.2
149.13245	6.0
154.71346	3.5
157.10156	7.3
159.11678	12.1
161.13307	6.3
163.11201	9.9
165.12682	5.7
169.10126	3.7
171.11682	5.4
173.13287	4.4
173.49164	3.4
189.11180	7.8
227.12785	11.0
229.19476	3.9
239.17960	5.1
239.23836	8.0
257.18939	10.0
275.20068	100.0
293.21057	14.9
312.13306	3.4
313.27359	67.1
331.22522	7.6
349.23746	48.8
402.57660	4.3
433.89578	4.1
483.36346	4.3
518.47559	4.8
587.46820	42.4
605.48462	45.8
606.47742	4.6
632.08087	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	604.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73758	0.4
55.01881	0.6
55.05519	2.0
57.03432	0.6
61.02908	0.8
62.06074	0.9
67.05234	0.3
67.05506	3.4
69.03426	4.4
69.07063	1.6
70.06586	0.9
71.04985	1.3
71.08632	6.8
72.08147	2.5
73.02920	0.5
77.52245	0.5
79.05483	2.5
79.92261	0.4
81.03413	1.5
81.07057	7.2
83.04966	0.4
83.08630	1.0
84.08133	1.9
85.02909	4.8
85.06542	0.8
86.06068	15.7
86.09695	0.5
87.04461	0.7
90.93842	0.4
91.05504	2.5
93.07037	2.2
94.43311	0.4
95.04947	1.0
95.08051	0.5
95.08599	3.0
96.08138	3.1
97.02874	2.4
97.06522	1.5
98.06049	1.0
98.09691	5.2
99.04455	0.9
99.08094	6.7
105.07014	2.9
107.08584	1.3
108.08123	2.7
109.02863	1.1
109.06538	0.8
109.10159	0.8
110.09683	0.7
113.05968	0.7
113.08394	0.6
114.09170	0.7
116.10728	39.5
119.08582	2.7
121.10143	1.4
122.09660	2.2
123.08073	0.4
123.11750	2.1
124.07564	0.7
126.09222	0.4
127.03897	2.3
128.51961	0.4
129.07022	0.7
131.08589	1.0
133.10106	1.2
135.08080	0.5
136.11232	0.5
140.10719	1.0
142.08636	0.9
143.10663	2.8
145.04962	0.6
147.11678	6.0
154.15907	1.7
157.10130	2.0
159.11774	0.5
165.12746	1.7
166.15901	1.5
168.17461	0.8
170.25830	0.4
175.11182	2.2
178.15929	1.0
193.12250	1.7
196.16956	6.2
203.02486	0.5
210.18546	0.4
211.13338	1.1
214.18016	100.0
215.18216	0.6
229.14308	3.6
229.82921	0.5
237.14676	0.5
243.12399	0.9
248.19960	0.5
255.15913	0.9
261.13303	1.9
264.23199	0.6
266.21228	1.4
272.18481	0.5
282.24298	4.1
284.22198	1.9
308.22217	3.6
326.06027	0.5
326.23196	4.2
333.06821	0.4
344.24310	50.5
345.24771	0.5
376.23322	14.5
424.30524	1.4
442.31656	21.7
443.32013	0.9
480.67429	0.5
506.29611	11.8
527.19708	0.4
604.37225	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	604.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73758	0.4
55.01881	0.6
55.05519	2.0
57.03432	0.6
61.02908	0.8
62.06074	0.9
67.05234	0.3
67.05506	3.4
69.03426	4.4
69.07063	1.6
70.06586	0.9
71.04985	1.3
71.08632	6.8
72.08147	2.5
73.02920	0.5
77.52245	0.5
79.05483	2.5
79.92261	0.4
81.03413	1.5
81.07057	7.2
83.04966	0.4
83.08630	1.0
84.08133	1.9
85.02909	4.8
85.06542	0.8
86.06068	15.7
86.09695	0.5
87.04461	0.7
90.93842	0.4
91.05504	2.5
93.07037	2.2
94.43311	0.4
95.04947	1.0
95.08051	0.5
95.08599	3.0
96.08138	3.1
97.02874	2.4
97.06522	1.5
98.06049	1.0
98.09691	5.2
99.04455	0.9
99.08094	6.7
105.07014	2.9
107.08584	1.3
108.08123	2.7
109.02863	1.1
109.06538	0.8
109.10159	0.8
110.09683	0.7
113.05968	0.7
113.08394	0.6
114.09170	0.7
116.10728	39.5
119.08582	2.7
121.10143	1.4
122.09660	2.2
123.08073	0.4
123.11750	2.1
124.07564	0.7
126.09222	0.4
127.03897	2.3
128.51961	0.4
129.07022	0.7
131.08589	1.0
133.10106	1.2
135.08080	0.5
136.11232	0.5
140.10719	1.0
142.08636	0.9
143.10663	2.8
145.04962	0.6
147.11678	6.0
154.15907	1.7
157.10130	2.0
159.11774	0.5
165.12746	1.7
166.15901	1.5
168.17461	0.8
170.25830	0.4
175.11182	2.2
178.15929	1.0
193.12250	1.7
196.16956	6.2
203.02486	0.5
210.18546	0.4
211.13338	1.1
214.18016	100.0
215.18216	0.6
229.14308	3.6
229.82921	0.5
237.14676	0.5
243.12399	0.9
248.19960	0.5
255.15913	0.9
261.13303	1.9
264.23199	0.6
266.21228	1.4
272.18481	0.5
282.24298	4.1
284.22198	1.9
308.22217	3.6
326.06027	0.5
326.23196	4.2
333.06821	0.4
344.24310	50.5
345.24771	0.5
376.23322	14.5
424.30524	1.4
442.31656	21.7
443.32013	0.9
480.67429	0.5
506.29611	11.8
527.19708	0.4
604.37225	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	603.3161
Annotation	trapoxin A
Peak:m/z	Relative Intensity
53.03941	6.8
55.01885	16.1
55.05514	33.4
56.96567	3.2
57.03436	15.1
61.02930	3.7
67.05502	39.9
69.03422	8.9
69.07063	13.2
71.01322	3.5
71.04990	6.9
71.11887	6.9
79.05489	35.5
81.03419	50.3
81.07057	54.2
83.04987	15.3
83.08624	20.9
83.09076	3.6
84.08142	3.7
85.02902	29.2
89.03091	3.3
91.05485	44.3
93.07036	35.9
95.04975	53.2
95.08609	24.8
96.74402	3.3
97.02898	7.6
97.06534	10.3
97.10162	18.6
97.89398	3.4
99.04453	4.5
99.77212	3.4
103.05472	8.3
105.03435	4.7
105.07021	40.8
107.04967	14.8
107.08603	22.7
108.08132	3.4
109.02874	16.5
109.06523	9.3
109.10160	22.7
111.04462	10.8
111.08071	6.5
114.23801	3.5
115.05439	7.8
117.07014	18.7
119.04956	4.1
119.08563	26.3
120.07064	3.2
120.08070	4.7
121.02866	6.9
121.06503	10.7
121.10161	18.5
122.05994	3.9
122.09670	11.9
123.04449	6.4
123.08057	8.2
123.11732	6.8
125.09608	19.7
128.06201	8.4
129.06982	20.3
131.04945	11.7
131.08554	23.0
133.06497	11.3
133.10150	10.9
135.08032	4.9
135.11658	5.6
137.02357	3.8
137.09659	5.3
141.06999	8.2
143.08568	9.1
145.06494	19.8
145.10135	12.8
147.04414	7.9
147.08060	12.9
147.11693	11.7
149.06035	6.2
149.09644	8.4
151.03946	3.3
153.09064	3.9
155.08569	7.8
157.06612	7.0
157.10143	14.4
159.07977	7.5
159.11679	6.0
160.05254	5.5
161.06049	21.7
161.09630	10.1
163.11203	12.9
165.06979	4.6
165.09154	8.5
167.08426	3.7
171.08081	8.5
173.05991	28.6
173.09612	6.1
174.06728	4.0
175.07619	5.1
175.11198	9.7
179.08606	4.3
181.06577	5.9
183.08076	7.8
185.06062	5.7
185.09702	3.9
187.07513	18.7
189.05447	16.5
189.09242	3.6
189.11229	7.4
191.10686	6.5
193.10315	6.7
193.12277	21.3
195.08141	6.3
197.09685	7.0
205.12193	5.2
211.11435	6.1
211.13193	20.3
214.18092	7.0
227.12801	11.6
249.50742	3.8
255.13824	6.9
257.15250	4.8
259.13321	5.7
267.08929	4.8
267.16058	8.1
271.17145	4.4
273.14902	14.9
281.15024	4.0
283.13373	11.7
285.10153	8.7
285.14499	7.3
285.17035	12.8
287.05511	9.5
297.14844	3.5
301.14301	69.0
303.16016	5.7
315.13086	4.2
319.15475	12.6
323.16440	6.1
341.17474	15.2
343.15515	26.1
357.16672	4.7
361.16428	4.4
375.18143	15.2
393.18628	5.4
420.85974	4.6
475.24686	4.4
478.19696	4.8
493.25836	9.1
511.27014	18.3
529.27899	5.6
543.29309	31.2
555.29742	4.9
567.29700	21.0
573.30817	22.1
575.27600	5.5
585.30688	96.8
603.31769	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	603.3164
Annotation	Withalongolide K
Peak:m/z	Relative Intensity
50.98931	1.7
53.03940	4.3
55.01867	13.2
55.05508	29.6
57.03440	12.3
59.65155	1.7
67.05169	3.1
67.05503	37.8
67.05832	3.4
68.05295	1.7
69.03434	7.7
69.07072	12.5
69.26656	20.5
70.06580	1.7
71.01350	1.8
71.04990	6.0
73.02905	2.9
79.05496	38.7
81.03419	52.8
81.07056	39.3
83.04971	14.8
83.08620	20.4
85.02904	22.3
85.06531	2.4
91.05483	40.0
93.07046	26.1
95.01307	2.6
95.04962	43.9
95.08611	18.5
97.02886	6.4
97.06544	6.4
97.10171	20.6
99.04482	2.6
103.05486	4.7
105.03404	1.8
105.07017	29.8
107.04962	20.2
107.08593	17.9
109.02877	11.0
109.06522	7.6
109.10136	8.5
111.04422	10.0
111.08053	8.3
113.06023	3.8
115.05458	8.6
117.07014	17.8
119.04982	5.3
119.08598	19.1
121.02863	9.4
121.06488	14.2
121.10152	13.3
122.09727	4.4
123.04460	6.5
123.08076	5.1
123.11718	3.3
125.09637	11.9
128.06284	4.9
129.06989	18.4
131.04909	14.6
131.08568	15.6
133.06485	12.1
133.10106	13.0
135.04375	3.7
135.08087	6.8
135.11700	6.4
137.02345	4.3
137.05994	3.6
138.79298	1.7
141.06993	5.3
143.08591	8.4
145.06490	21.7
145.10094	11.1
147.04410	11.1
147.08067	7.4
147.11705	9.7
149.05994	8.2
149.09653	7.8
151.07547	3.2
153.07013	3.5
153.09163	2.9
155.08601	6.1
157.06480	9.9
157.10129	10.5
159.04440	4.7
159.08012	8.5
159.11726	2.0
160.05270	4.0
161.05994	20.6
161.09645	5.9
163.03947	2.8
163.07645	1.6
163.11200	13.2
165.07069	3.9
165.09129	3.5
165.12741	3.0
166.07797	1.8
167.08565	3.9
169.06508	4.2
169.10188	5.5
171.04393	2.8
171.08018	9.5
171.11778	2.6
173.05977	32.7
173.09647	7.4
174.06772	6.8
175.03947	4.5
175.07475	8.5
175.11214	7.7
177.05586	1.9
179.08586	3.5
181.10213	2.7
181.12254	2.5
183.08110	6.7
183.11674	2.1
185.06041	3.5
185.09599	1.9
185.13258	2.1
186.06822	5.3
187.07567	13.0
187.11189	3.7
189.05443	24.2
189.09195	2.8
189.11232	8.4
189.12801	3.7
191.10744	3.1
193.10521	3.1
193.12242	21.7
195.08122	3.0
197.06075	3.1
197.09692	3.8
199.07596	6.0
201.05463	2.2
201.09166	4.2
203.07079	3.0
203.10645	2.0
203.14401	2.0
205.12294	2.3
209.09657	2.9
209.11690	2.1
209.13510	2.2
211.07643	3.2
211.11348	3.5
211.13228	21.4
213.09091	3.8
213.12715	2.6
215.07080	2.3
215.14397	2.9
219.11836	2.2
223.13411	2.1
227.10878	2.2
227.12637	10.9
229.12303	2.2
237.12740	3.6
241.12236	3.0
243.13802	2.7
255.13797	9.9
257.15445	6.3
259.13388	2.7
265.12302	2.3
267.16000	6.6
271.13290	4.1
273.14804	19.0
283.13205	14.9
283.15744	1.7
285.10199	2.5
285.14816	10.5
285.17499	13.7
289.14426	6.2
291.16147	2.8
295.16748	2.1
297.14886	3.5
299.16580	3.1
301.14337	71.9
302.14752	2.6
303.16031	5.2
313.14581	2.1
313.18024	3.5
315.15991	5.5
319.15411	10.4
323.16403	4.4
325.14316	3.6
331.15393	4.5
339.15851	2.3
341.17496	13.4
343.15454	15.0
345.17371	1.9
357.17023	3.8
359.18704	3.9
361.16690	3.5
375.17929	16.1
393.19003	4.1
399.18307	1.9
417.19125	2.6
423.25342	3.3
457.25293	1.9
465.26459	3.1
467.43808	1.7
475.24896	4.7
493.25937	11.0
511.26834	12.9
525.28625	2.7
529.27844	3.1
539.30176	3.7
543.29498	19.1
549.28760	3.0
555.29443	2.2
557.31281	2.3
567.29639	25.1
573.30493	17.7
585.30566	98.5
603.21002	8.0
603.31622	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	603.2811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05506	1.7
55.18754	1.1
60.52689	1.0
67.05505	2.1
69.52061	1.9
69.52468	7.7
75.69306	0.8
79.05486	7.7
80.05012	1.8
81.03403	1.4
81.07059	2.4
83.04978	1.4
83.08649	1.1
91.05486	4.9
93.07041	7.7
95.04973	3.6
98.21567	1.9
103.05465	5.7
105.05738	1.6
105.07007	1.7
107.08643	1.9
108.04436	1.9
108.08158	1.2
109.10149	2.0
117.07005	1.2
118.06560	2.9
119.07306	1.8
119.08585	1.5
120.08108	24.0
123.21287	0.9
126.07214	0.9
129.07008	1.4
131.08566	1.4
148.07571	39.9
161.10709	1.3
203.11795	5.4
213.10373	1.3
229.09764	1.3
229.13361	15.7
257.12888	9.1
262.14700	1.8
277.17020	1.4
288.14703	2.2
289.15390	2.7
292.14508	1.6
294.12415	2.1
305.16333	2.0
306.12408	1.4
308.13974	1.3
333.15033	1.6
336.17078	8.4
348.17062	2.1
350.14886	2.1
350.18719	1.7
364.16376	3.1
378.18195	6.3
396.19223	18.0
406.17538	5.9
424.18695	6.9
424.30984	1.3
438.20227	2.0
456.21326	100.0
457.21835	2.6
503.29056	1.1
571.24921	2.5
603.28070	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	602.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32019	0.2
55.01842	1.0
55.05503	1.2
56.05009	0.3
56.50940	0.2
57.03431	1.4
58.59932	0.2
60.04485	0.3
61.02917	1.9
62.06059	0.6
67.05507	2.2
69.03428	6.8
69.07067	2.3
70.06611	1.2
70.85319	0.6
71.01348	0.2
71.04989	1.3
72.04476	0.2
72.08121	0.8
73.02907	1.7
77.60371	0.2
79.05492	1.8
80.05002	0.2
81.03421	3.1
81.06590	0.3
81.07047	4.3
82.06555	0.4
83.04951	0.5
83.08596	0.5
84.04463	0.4
84.08115	0.8
85.02901	14.5
85.06516	0.6
86.06065	9.0
86.09673	0.7
87.04002	0.3
87.04463	3.8
91.03898	0.3
91.05465	1.7
93.07022	1.1
94.06536	0.5
95.04961	0.6
95.08585	1.3
96.08118	3.0
97.02297	0.3
97.02893	5.0
97.06519	1.3
97.10135	0.3
98.06048	3.1
98.09676	0.7
99.04456	2.6
100.07574	0.3
103.03935	0.3
105.07024	1.6
107.08566	1.3
108.08114	1.8
109.02880	2.2
109.06519	1.3
109.10127	0.8
110.09644	0.9
112.07575	0.8
114.09165	0.4
115.03944	0.3
116.10725	3.7
117.00826	0.3
119.08570	1.2
120.08089	0.5
121.08908	0.2
121.10101	1.0
122.09637	1.0
123.08034	0.6
123.11668	1.1
124.07573	1.6
124.11153	0.3
126.09118	0.4
127.03927	3.4
129.05417	0.5
129.06966	0.6
131.08507	0.7
132.88141	0.2
133.10097	1.5
134.09631	0.5
135.11630	0.2
136.11197	0.8
138.09108	1.0
140.10637	0.7
141.09106	0.4
142.07590	0.5
142.08638	7.6
145.04924	1.2
147.11658	1.9
148.11179	0.7
149.09637	0.5
150.12770	0.4
151.11159	2.3
152.10654	0.9
152.14294	0.4
154.08464	0.3
154.12207	1.3
157.10091	1.0
158.11682	0.3
162.12790	0.4
164.14317	1.1
165.12831	0.3
168.13728	0.3
169.12131	0.3
170.11716	0.5
171.06485	0.3
174.12740	0.8
175.11154	0.8
180.13756	0.3
187.42461	0.3
192.13785	1.7
194.15395	2.2
207.08679	0.3
208.16977	2.8
210.18529	16.6
212.16443	60.9
213.16725	0.7
226.18044	0.6
236.16441	15.1
254.17500	7.6
272.18546	100.0
273.18857	1.0
288.18066	0.4
340.66299	0.2
344.24265	0.5
349.72903	0.2
358.22107	0.4
374.21716	65.2
375.21930	0.9
379.24582	0.8
422.28864	0.9
434.23880	6.0
440.30087	9.6
451.65366	0.3
602.35315	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	602.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.2
55.05502	1.7
57.03413	2.0
59.04996	0.7
59.06096	0.6
60.04504	0.6
61.02932	3.0
61.62201	0.5
62.06076	0.8
65.13065	0.5
67.05495	3.6
69.03085	0.8
69.03430	9.9
69.07075	3.1
70.06577	1.6
71.01342	0.6
71.04984	1.7
71.08614	2.3
71.60899	0.6
71.61600	0.6
72.08141	0.8
73.02917	3.1
79.05496	3.2
80.05031	0.5
81.03418	5.6
81.07051	5.4
83.04980	0.9
83.08603	0.6
84.04494	0.6
84.08120	1.0
85.02903	20.6
85.06538	0.9
86.05570	0.9
86.06064	12.2
86.09689	1.6
87.03992	0.6
87.04463	6.4
91.03963	0.7
91.05483	2.8
93.07068	3.5
94.06530	0.7
94.53548	0.5
95.04952	1.3
95.08628	3.3
96.08122	4.2
97.02883	7.5
97.06534	1.6
97.10165	0.4
98.06042	3.3
98.09697	4.5
99.04454	4.2
99.08059	0.9
105.06994	2.1
107.04993	1.1
107.08593	2.3
108.08112	1.6
109.02870	3.3
109.06513	1.7
109.08897	0.5
109.10163	0.7
110.09698	0.8
111.08134	0.5
112.07606	0.8
116.10729	12.7
119.08546	2.6
120.08092	1.6
121.06477	0.6
121.10124	2.4
122.09675	1.7
123.08096	1.1
123.11669	0.5
124.07558	2.6
125.06055	1.1
127.03928	6.0
129.05461	1.4
129.07045	0.7
131.08562	1.1
133.10110	1.3
133.35687	0.6
138.09132	1.4
142.08636	10.4
142.12271	88.9
143.10667	0.5
143.12584	1.0
145.04971	4.7
145.06531	0.6
145.10092	1.0
147.11684	1.4
148.11150	0.5
149.09607	0.9
151.11165	1.6
154.12282	1.0
155.08560	0.6
157.10190	0.6
163.11205	1.1
164.14384	0.9
171.06541	0.7
174.09303	0.5
174.12758	0.9
191.10567	0.9
192.13884	1.4
194.15462	1.2
207.08704	0.9
208.17027	1.8
210.18535	20.7
212.16457	35.7
213.16765	1.0
214.18092	3.3
226.18021	13.7
236.16467	9.4
254.17467	5.5
272.18564	100.0
273.18774	1.3
280.22888	0.8
282.20782	1.3
287.10156	0.7
301.14322	1.0
304.17508	4.9
318.09552	0.7
324.21866	1.1
342.22760	15.8
343.22928	0.6
369.26419	0.5
374.21719	35.2
375.22256	0.8
422.29190	0.8
434.23996	5.6
439.10312	0.8
440.10822	1.7
440.30188	9.2
504.28070	27.0
585.30255	0.9
602.27484	1.4
602.35461	19.7
603.29395	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	601.4253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63792	4.9
53.03946	6.5
55.05508	23.8
57.03429	6.1
57.07058	20.1
65.03929	5.3
67.05509	49.1
68.48479	6.0
69.03437	13.3
69.07074	31.9
69.58607	5.4
70.76238	18.8
71.08633	8.0
79.05504	36.1
81.03403	19.0
81.07063	68.0
81.31560	5.7
83.04984	22.0
83.08611	25.2
85.06543	9.5
87.04427	6.6
89.06068	6.5
91.05479	58.3
93.07044	65.6
94.07366	5.6
95.04977	30.7
95.08618	46.1
97.06537	14.5
97.10138	6.4
99.88391	6.2
105.07033	97.0
107.04964	6.9
107.08607	74.6
109.06516	25.4
109.10159	41.5
111.08103	6.1
113.09653	5.7
115.05451	9.9
115.16338	5.6
117.07008	29.5
118.31479	5.1
119.08588	100.0
121.06533	14.3
121.10154	82.4
122.10397	5.3
123.08060	16.6
123.11732	11.4
125.09645	16.2
128.06227	16.3
129.07010	16.6
130.07826	12.4
131.08566	48.8
133.06511	6.0
133.10132	60.6
135.08081	19.5
135.11707	25.6
139.11174	9.9
141.07024	10.2
142.07764	18.1
143.08562	50.5
144.09366	7.9
145.10133	84.1
147.08099	12.4
147.11668	22.2
149.09570	13.4
151.07523	6.7
154.07697	5.6
155.08528	16.1
155.10699	7.8
156.09331	15.5
157.10149	62.1
158.10805	9.2
159.08041	19.0
159.11659	41.4
161.09630	17.6
161.13182	7.4
163.11133	8.8
163.52965	6.1
165.09149	12.8
167.10704	66.3
168.09354	10.6
169.10147	25.8
170.10947	5.5
171.11707	41.8
173.09563	8.1
173.13272	18.3
175.11270	10.8
175.14838	15.4
176.15353	6.3
179.08578	8.6
180.09419	7.3
181.10109	13.0
181.12212	9.1
182.10718	5.5
183.11711	23.0
184.12398	6.9
185.13278	20.5
187.14812	18.9
189.12758	12.2
193.10088	14.2
195.11760	27.7
196.30943	6.4
197.13268	24.1
199.14932	15.4
201.12770	8.2
201.16415	7.0
201.54871	5.5
203.14233	7.4
207.11679	13.4
209.13275	21.0
209.15125	5.8
211.14838	14.1
215.14268	8.1
217.15880	6.6
219.11700	6.4
221.13402	12.4
221.15431	23.0
223.14798	9.7
225.16393	11.1
231.88698	6.0
233.13289	8.0
233.15273	29.6
235.14722	9.3
251.17941	10.5
261.16388	7.0
265.19537	7.8
295.20432	8.1
335.23608	5.7
343.88852	6.7
370.58160	5.8
583.40491	8.3
601.42896	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	6.0
55.01872	3.1
55.05515	23.2
57.03412	2.5
57.07073	14.2
59.04989	4.0
65.03905	2.7
66.71970	2.2
67.05505	35.4
69.03431	17.0
69.07064	26.9
69.20123	2.0
70.09894	7.7
70.10299	4.4
71.04977	3.0
77.03913	2.2
79.05486	37.7
81.03415	4.9
81.07053	52.7
83.04980	24.6
83.08602	14.7
84.77692	2.0
85.06538	10.1
87.04450	3.9
91.05478	59.2
92.86559	1.9
93.07040	86.3
95.04971	31.3
95.08599	49.1
96.08924	2.5
97.06520	18.2
103.05470	3.4
105.07027	100.0
105.80991	2.0
106.07325	2.7
107.04931	2.9
107.08595	69.6
109.06515	21.9
109.10148	30.3
109.56952	2.0
111.08101	3.5
111.62348	2.3
113.09628	4.3
115.05421	6.4
115.78442	2.9
116.06236	2.8
117.07005	24.4
119.08578	97.0
121.06506	11.0
121.10133	78.8
122.10455	2.5
123.08067	19.0
123.11700	13.6
125.05981	4.2
125.09624	13.0
128.06227	12.9
129.07013	14.5
130.07787	10.2
131.08575	39.4
132.08951	2.0
133.06477	5.3
133.10127	56.0
135.08051	19.7
135.11681	17.3
137.09605	12.3
139.11169	3.7
141.07002	7.7
142.07777	19.6
143.08565	40.7
144.09378	10.8
145.10123	69.6
145.11285	3.7
146.10519	3.7
147.08055	23.1
147.11682	17.3
149.09618	17.6
149.13297	3.7
151.07539	13.7
151.11105	3.1
153.06926	5.0
153.09142	2.5
154.07758	5.5
155.08569	18.3
155.10646	4.8
156.09355	17.4
157.10127	61.1
158.10706	6.7
159.08032	14.4
159.11699	38.8
161.09607	20.4
161.13261	7.7
163.11174	13.7
165.06996	5.1
165.09122	31.4
166.07779	3.3
167.08533	9.0
167.10693	48.0
168.09341	5.3
168.10970	1.9
168.90511	2.0
169.10110	30.6
170.10924	10.2
171.11690	39.8
172.12239	3.1
173.09587	7.9
173.13248	25.8
174.09995	2.2
175.11182	12.1
175.14816	9.1
177.12732	3.9
179.08603	12.0
180.09332	4.7
181.10133	16.6
181.12175	14.2
182.10931	13.2
183.11658	27.8
183.86552	1.9
184.12398	5.9
185.09641	4.6
185.13252	22.1
186.13600	2.9
187.11159	5.7
187.14810	8.3
189.12694	9.8
191.14275	7.5
192.09357	4.9
193.10138	12.1
193.11977	3.7
194.10844	7.7
195.11703	23.9
196.12408	9.6
197.11627	3.7
197.13266	23.8
198.13808	2.6
199.11172	4.9
199.14801	12.9
201.12723	6.6
201.16382	5.0
203.14282	15.2
204.14655	2.7
206.10880	7.0
207.11664	12.9
207.13748	6.6
208.12437	6.3
209.13293	29.7
209.15295	5.7
210.13957	4.2
211.11172	2.4
211.14772	15.3
212.15327	2.6
213.12706	5.4
213.16359	6.0
214.13496	2.1
215.14276	8.9
217.15805	6.8
218.11060	2.8
219.11763	3.8
220.12471	5.6
221.13214	12.2
221.15306	75.6
222.13924	4.9
222.15866	4.0
223.14819	19.1
225.12834	2.8
225.16273	10.6
227.14374	5.3
229.15862	2.8
231.11668	3.5
232.12300	2.9
233.13252	7.4
233.15366	21.6
234.13846	3.2
234.16029	2.7
235.14758	12.3
236.15555	2.8
237.14508	3.1
237.16559	4.4
239.17845	6.6
241.19559	3.2
245.13283	2.8
247.14766	5.0
247.17085	3.3
249.16389	7.4
251.17917	9.1
253.15765	2.6
255.17409	4.1
257.13162	2.9
257.18994	3.2
258.14133	2.5
259.14871	4.1
261.16373	5.4
263.17902	5.5
265.19473	6.4
267.17560	2.8
269.19000	6.0
271.17346	2.8
271.20380	3.5
273.18607	2.7
275.17715	4.8
275.20282	2.7
277.19516	6.4
281.19043	3.4
283.20456	6.2
286.19156	2.5
287.20120	8.6
291.19601	3.0
293.18921	3.1
295.20599	4.7
297.22198	2.3
299.20062	5.3
301.21564	7.7
303.19672	4.3
304.19864	4.6
311.20169	3.1
312.20731	3.6
313.21527	6.3
331.24185	3.8
333.26654	2.1
343.24240	4.1
347.23917	2.7
349.25259	7.5
352.23962	8.3
353.24188	10.0
361.25439	3.1
365.24725	3.3
367.26239	7.7
375.26743	3.5
393.27838	3.8
415.80753	2.3
491.35223	4.4
503.35013	3.0
509.35046	2.7
520.35370	2.4
521.35809	10.3
547.38977	2.8
565.40100	11.5
583.41754	18.0
601.34106	2.7
601.42480	47.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72258	1.4
53.03929	5.3
55.01868	2.5
55.05509	21.3
57.07074	9.6
59.04988	3.9
63.85061	1.4
65.03925	5.8
67.05167	2.1
67.05504	31.1
69.03431	17.6
69.06728	1.7
69.07067	25.2
69.32658	15.4
71.04992	3.2
72.20511	1.5
79.05495	36.1
81.03428	2.2
81.07057	46.7
83.04980	20.9
83.08620	17.6
85.06539	6.1
87.04459	4.1
91.05480	64.0
93.07043	83.5
94.07355	2.8
95.04969	24.5
95.08602	39.2
97.06538	13.4
97.10170	2.6
103.05466	4.6
105.07031	98.8
107.04951	4.4
107.08591	76.5
108.08868	1.6
109.06526	15.8
109.09454	2.5
109.10158	35.9
111.04446	1.4
111.08079	5.8
111.11723	2.1
113.06020	1.4
113.09631	4.4
115.05444	8.3
116.06252	3.0
117.07025	24.6
119.04983	1.7
119.08581	100.0
120.08874	3.2
121.06512	12.7
121.10145	90.5
123.08067	15.3
123.11691	9.4
125.05998	3.1
125.09638	17.1
128.06219	16.0
129.07018	17.0
130.07799	11.0
131.08572	44.1
132.09334	2.1
133.06474	5.8
133.10130	68.3
134.10553	1.7
135.08049	19.8
135.11681	21.3
137.09631	9.5
139.11191	9.3
141.06978	8.1
142.07776	25.9
143.08568	41.8
144.09373	12.9
145.06514	2.8
145.10124	73.5
146.07294	2.6
146.10480	2.6
147.08041	14.7
147.11679	23.3
149.09613	22.2
149.13254	3.4
151.07553	3.8
151.11163	4.2
153.06963	4.3
154.07776	4.8
155.08559	19.7
155.10623	6.3
156.09340	22.0
157.10129	54.6
158.10854	8.6
159.08069	17.5
159.11690	41.2
160.12233	2.6
161.09604	14.7
161.13243	9.1
163.11165	10.8
163.14850	2.8
165.06979	6.7
165.09117	9.7
166.07787	4.0
167.08603	10.8
167.10674	70.5
168.09346	7.8
169.10121	29.3
170.10931	11.9
171.08099	1.4
171.11710	34.8
172.08804	2.6
172.12267	4.6
173.09618	8.0
173.13269	29.2
174.13556	2.1
175.11263	9.1
175.14827	17.5
177.12685	3.6
179.08585	11.3
179.14172	1.9
180.09314	7.6
181.10097	18.9
181.12231	6.3
182.10912	9.8
183.11691	26.9
184.12323	5.3
185.09673	3.5
185.13269	21.1
187.11186	5.2
187.14812	11.0
189.12738	7.6
189.16469	2.1
191.08568	2.3
191.14310	7.7
192.09268	5.7
193.10135	15.3
193.11975	2.6
193.15910	1.8
194.10893	9.8
195.08017	1.4
195.11693	23.6
195.13457	2.5
196.12425	10.1
197.09572	3.6
197.13269	29.6
198.13828	2.5
199.11235	4.5
199.14830	18.3
201.12718	6.9
201.16354	6.6
203.14296	8.1
204.14810	2.0
205.10095	3.7
205.15878	1.7
206.10844	4.1
207.11688	16.6
207.13754	3.5
208.12590	6.5
209.13295	27.6
209.15298	3.6
210.13872	5.3
211.11209	4.8
211.14818	15.0
212.15436	2.9
213.12737	5.7
213.16388	5.0
215.14368	8.0
216.09477	1.6
217.10194	3.3
217.15837	5.4
218.10939	2.6
219.11797	7.2
219.17419	1.8
220.12437	6.8
221.13219	17.5
221.15385	22.5
222.13881	3.4
223.11269	1.7
223.14803	15.1
224.15515	2.2
225.12753	5.0
225.16428	12.8
227.14287	5.9
229.15819	2.9
231.11673	5.2
231.17426	2.3
232.12384	2.0
233.13190	7.2
233.15327	30.7
234.13979	3.2
234.16139	2.0
235.14804	9.9
235.16791	2.7
236.15556	2.6
237.16402	7.6
238.16963	1.7
239.14285	1.8
239.18013	3.7
241.15825	4.2
243.11702	2.5
243.17473	2.0
245.13319	4.9
246.13890	3.2
247.14752	6.7
247.17003	3.3
248.15553	2.4
249.16179	7.5
250.17079	2.1
251.18062	7.1
253.15839	2.5
255.17453	2.5
256.17740	1.6
257.13113	2.2
257.18948	4.0
259.14685	3.2
259.20667	1.9
260.15482	2.7
261.16299	6.8
263.17908	5.1
264.18625	2.3
265.19473	7.1
267.17511	2.9
267.21249	1.5
269.18997	11.4
271.20544	3.6
273.16290	4.2
273.18515	4.4
274.17117	1.8
275.17896	5.1
277.19547	5.5
279.20929	2.5
281.19028	5.3
283.20541	6.3
285.15933	2.2
285.18616	4.1
287.20132	3.8
289.19467	3.6
291.17676	1.8
291.20947	1.8
293.18930	1.9
295.20554	5.3
297.22012	3.3
299.20016	5.3
300.20789	2.2
301.21936	2.4
303.21024	3.0
305.22470	2.0
307.20514	2.9
309.22021	1.8
311.20090	4.2
329.22482	2.2
331.24048	2.4
333.21893	2.4
335.23560	2.4
343.24246	2.8
347.23474	2.0
349.25165	4.8
359.23624	2.1
361.25125	4.2
365.24728	2.0
367.26309	3.5
375.26663	1.6
379.26355	2.3
393.27783	2.0
430.28149	1.8
452.32596	1.5
473.34116	2.2
486.35858	2.0
491.34949	4.1
509.34213	1.4
565.39886	4.4
583.41211	12.0
601.42749	17.7
602.42157	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	601.4247
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	33.4
57.07063	12.3
61.92433	10.9
65.35809	11.8
67.05482	49.3
69.03413	12.8
69.07056	35.0
70.03528	44.7
79.05488	33.5
81.03397	21.0
81.07054	65.4
81.07449	12.5
82.02287	11.0
83.04959	25.6
83.08613	24.7
85.99050	11.4
90.34452	11.0
91.05463	49.2
93.07046	74.9
95.04943	32.9
95.08626	55.4
97.06525	14.5
105.07040	78.9
107.08600	65.1
109.06539	31.0
109.10139	26.9
111.08029	15.8
117.07033	17.7
119.08562	100.0
121.06478	19.7
121.10152	73.7
123.08056	26.7
123.11708	24.7
123.38244	11.8
125.09579	15.2
128.06175	11.8
129.06978	17.5
130.07817	11.4
131.08533	33.7
133.10118	52.9
135.08109	21.1
135.11707	23.3
137.09708	12.5
143.08577	27.2
145.10103	84.3
147.08046	17.5
147.11659	26.3
149.09586	25.8
155.08397	17.6
157.10156	54.8
159.11652	35.3
161.09590	16.4
163.11156	17.2
165.09128	28.3
167.10658	42.5
169.10088	16.7
170.10869	14.0
171.11676	34.5
173.13196	17.8
175.11125	14.2
175.14815	17.1
181.10120	14.1
183.11653	22.0
185.13205	24.0
187.14757	14.9
193.10138	13.0
195.11690	31.7
197.13300	13.2
207.11592	20.6
209.13162	26.9
221.13454	14.5
221.15387	41.5
222.83226	11.4
231.17508	13.2
233.15294	32.0
249.16330	17.3
263.17963	16.2
275.20117	15.6
281.19080	12.9
503.37119	19.4
583.41547	23.2
601.43353	61.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56182	8.1
53.78235	7.2
55.05527	8.5
57.07065	14.1
67.05501	30.7
69.07050	14.4
69.31719	18.3
69.32122	71.7
79.05480	16.2
81.07043	21.0
85.06498	7.7
88.55355	8.1
88.76934	7.0
91.05469	25.1
93.07040	31.9
95.08619	29.9
96.08971	7.8
102.73912	7.6
105.07040	39.3
107.08583	25.2
109.06503	8.2
109.10173	16.0
117.07018	11.1
119.08575	39.2
121.10149	27.8
123.08091	16.9
131.08519	11.1
133.10135	22.8
144.09441	7.9
145.10115	31.0
147.08037	24.0
151.07564	15.3
157.10133	16.3
159.11684	13.4
160.62379	8.6
163.11227	14.1
165.09163	41.2
169.10127	8.5
171.11681	10.1
181.10222	10.6
181.12267	15.1
185.13235	13.5
187.14738	10.0
221.15381	100.0
250.50374	9.0
289.18164	9.5
317.96573	8.1
367.26349	8.4
440.29227	8.9
441.29630	11.3
479.14233	8.0
491.35355	9.4
575.30396	9.7
601.42767	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	601.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57750	2.2
52.68421	1.8
53.03936	4.3
55.05502	6.0
57.07064	9.1
58.07414	2.6
59.04976	2.9
60.56194	2.4
66.62007	2.4
67.05503	11.5
69.03423	9.2
69.07062	7.8
70.05043	11.3
76.93637	1.9
79.05492	14.6
81.07056	23.4
82.39790	2.5
83.04992	5.2
83.08643	2.6
85.06538	4.6
91.05486	23.1
93.07048	31.1
94.07352	3.0
95.04989	6.9
95.08609	20.9
97.06543	3.6
98.21484	2.8
105.07034	36.4
107.08596	20.9
108.08908	2.3
109.06500	7.7
109.10146	7.0
111.08115	2.4
117.07014	9.1
119.08595	38.3
120.08878	2.8
121.06512	6.7
121.10159	20.0
122.10526	2.6
123.08056	13.7
123.11678	2.5
125.06030	2.4
128.06245	3.9
129.07019	6.9
130.07771	2.6
131.08551	13.2
133.10143	19.1
135.08041	12.9
135.11699	5.9
137.09642	14.0
139.07574	2.7
141.06947	2.5
142.07791	3.3
143.08588	15.8
144.09317	2.9
145.10126	34.3
146.10442	3.9
147.08066	23.6
147.11674	7.4
149.09612	5.1
151.07564	13.5
153.06943	2.6
153.09067	2.6
155.08566	3.6
156.09332	5.0
157.10136	23.5
158.10854	4.5
159.08063	3.4
159.11708	18.5
160.08910	2.1
161.09604	7.2
161.13219	5.8
163.11198	11.0
165.09132	39.2
166.09554	3.5
167.08580	3.8
168.09322	3.4
169.10132	12.0
170.10745	4.1
170.86830	2.3
171.11662	13.1
172.57784	2.5
173.09612	3.8
173.13231	6.7
175.11130	5.2
175.14775	4.5
176.11575	3.1
177.09120	2.4
179.08621	4.7
180.09137	2.5
181.10199	5.5
181.12175	10.7
182.10825	3.7
183.11696	11.4
184.12166	3.2
185.13278	9.9
187.11255	3.6
187.14749	4.8
189.12674	6.0
191.14194	3.4
193.10046	3.8
194.10910	2.3
195.11728	8.2
195.13745	3.8
197.13290	5.0
199.14821	3.0
200.11497	2.0
201.12764	4.2
203.14320	16.6
207.11827	3.4
207.13777	4.7
209.13281	8.5
209.15234	3.1
210.13884	3.1
211.14825	4.0
213.16425	3.4
215.14395	2.8
217.15863	2.3
219.11674	2.6
221.13408	4.3
221.15353	100.0
222.15735	12.5
223.14813	2.6
233.13266	3.3
234.16255	4.5
235.16663	4.0
247.16954	7.7
248.17307	3.6
274.19357	3.0
283.20496	2.4
286.19174	3.0
287.20084	5.3
300.20673	4.1
301.21545	5.0
321.58350	2.4
325.21555	2.7
340.23993	3.1
341.24081	2.9
352.23782	6.5
353.24496	3.1
365.24643	2.6
367.26288	11.5
393.27588	2.7
406.68173	2.6
428.28873	3.5
440.29016	4.8
441.29620	10.9
491.35022	11.9
509.35925	5.9
521.36145	10.7
583.41528	12.6
601.42285	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71581	5.2
55.05510	11.8
57.07074	15.2
67.05492	23.3
69.03438	6.1
69.07069	6.1
71.59458	7.6
71.94930	5.4
79.05486	19.1
81.07060	37.1
83.04993	6.3
85.06546	7.6
91.05488	28.3
93.07036	35.1
95.04953	15.1
95.08581	27.5
105.07024	58.6
107.08594	29.6
109.06535	17.4
109.10152	16.4
117.07044	7.4
119.08588	61.8
121.06506	9.1
121.10140	26.5
123.08064	18.7
125.06007	12.8
129.06999	12.8
131.08583	27.9
133.06490	5.7
133.10170	33.6
135.08038	22.3
135.11732	8.1
137.09630	19.0
141.07005	5.4
142.07796	11.9
143.08543	26.8
144.09407	6.3
145.10123	41.8
147.08063	28.8
147.11653	6.0
149.09634	15.7
151.07541	8.1
152.19725	5.4
155.08565	9.8
155.10605	7.2
156.09291	9.4
157.10158	42.0
159.11679	29.4
160.08745	5.8
161.09598	16.6
161.13232	8.9
163.11179	26.2
165.09102	53.8
169.10191	12.9
170.10857	9.9
171.11693	16.1
173.13272	5.5
175.11212	23.0
181.10173	8.6
181.12225	21.9
182.10954	6.3
183.11758	15.8
185.13254	15.3
187.11108	11.8
189.12834	7.7
190.13506	6.6
191.10561	10.3
193.12239	13.8
194.10828	6.9
195.11713	9.4
197.13290	11.8
201.12827	8.4
203.14307	20.4
207.11731	11.1
207.13892	11.1
208.14543	10.9
209.13251	11.2
211.11154	7.6
213.12877	6.9
219.13753	7.6
221.15352	100.0
222.15642	15.7
223.14864	12.3
234.16171	18.3
247.16942	39.7
259.16928	8.9
271.16974	8.3
274.19226	19.5
281.18997	6.4
286.19238	6.3
287.20108	16.7
299.20096	14.0
300.20361	9.1
312.20828	7.4
325.21640	21.9
340.24030	13.3
352.23965	33.3
355.14044	7.4
365.24771	8.4
379.26465	7.9
388.09308	6.0
413.27155	6.7
419.29391	11.1
427.28494	16.8
440.29358	62.7
520.35553	46.9
582.01404	5.9
600.41437	51.3
600.49774	9.1
625.51001	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	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07065	13.1
67.05499	24.8
69.40901	18.0
71.50836	36.4
79.05492	32.9
81.07056	37.4
89.06035	18.7
91.05470	28.4
93.07038	27.5
95.08590	27.1
105.07023	51.5
107.08586	21.7
109.10171	32.8
116.86422	14.4
119.08558	59.0
121.10142	24.4
123.08020	21.2
131.08563	22.8
133.10152	31.6
135.08000	19.6
137.09616	18.7
143.08578	26.2
145.10146	29.4
147.08163	21.4
157.10132	34.3
165.09103	54.3
169.10146	19.5
173.13307	23.9
195.11777	21.7
207.13734	18.1
221.15392	100.0
247.16968	28.5
274.19159	21.5
299.20044	20.1
315.01709	19.0
325.21683	17.5
340.23904	22.1
352.23959	30.5
440.29099	41.0
443.84518	18.7
520.35248	47.4
600.41187	73.9
600.50458	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01859	1.1
55.05512	3.3
56.05022	0.5
56.96521	0.3
57.03437	0.5
58.99579	1.1
67.05173	0.6
67.05505	8.0
69.03413	0.7
69.07069	4.0
70.02935	0.5
70.66125	1.3
71.04985	0.5
74.00679	1.8
76.02197	2.0
76.03982	0.5
79.05491	7.1
80.05012	1.2
81.03424	1.1
81.07055	19.4
82.06603	0.5
82.07352	0.5
83.04955	0.9
83.06091	1.3
83.08622	2.3
84.04507	3.6
85.01123	1.0
85.02894	0.5
85.06544	0.6
86.00633	0.7
86.99063	0.5
87.02679	0.4
91.05478	6.6
93.07042	7.1
94.06558	0.8
95.04961	2.0
95.08607	9.9
96.08111	0.5
97.01108	1.6
97.06519	1.0
99.01424	3.0
99.02702	0.6
99.05576	0.8
100.02198	6.0
103.05458	0.6
105.07039	5.6
106.06516	0.9
107.04967	1.5
107.08595	5.1
108.08075	0.9
109.06512	2.8
109.10155	3.0
111.02678	0.9
111.08074	0.5
112.02186	7.5
113.00594	0.5
113.02949	1.1
113.04231	1.1
114.00140	0.5
114.03757	6.2
115.05782	0.6
116.01681	1.5
117.05821	0.4
117.07008	1.7
118.06440	0.4
119.08574	4.4
120.08080	0.9
121.06530	0.8
121.10168	3.1
122.09695	0.5
123.02627	0.6
123.08052	0.9
123.11687	0.7
124.02178	0.5
125.04226	0.8
125.09686	0.7
126.03732	2.9
126.74197	0.4
129.06555	2.3
130.04985	1.4
131.08546	3.5
132.08113	0.5
133.10123	2.8
134.09636	0.7
135.08018	1.4
135.11685	1.1
136.03973	0.7
137.04192	0.8
137.09636	0.5
138.03687	1.8
139.02103	0.5
139.03235	0.5
139.05785	0.9
140.01671	0.4
140.05293	7.4
143.02783	0.4
143.08574	0.9
144.01103	0.6
145.10121	2.2
147.07841	0.5
147.11697	3.4
149.04176	0.6
149.09610	1.3
149.13217	1.9
151.05782	0.9
151.11147	0.8
152.05260	1.9
153.06612	0.6
154.06891	1.0
157.10143	0.9
159.11722	1.4
161.13210	0.9
162.02164	1.2
163.11195	1.3
163.14787	0.7
165.12775	0.9
166.06911	1.4
167.07564	0.4
168.08417	17.1
169.06052	0.5
171.11711	0.5
173.13287	1.6
175.11188	0.6
177.12639	0.4
179.04890	0.9
185.03799	2.2
187.11296	0.5
189.12587	0.5
191.14386	0.7
193.12274	0.6
199.07341	0.6
202.04031	1.9
207.13843	0.8
209.15382	2.0
215.04884	0.6
216.05664	3.0
222.15009	0.6
223.13455	0.4
230.15260	0.4
231.04344	3.2
233.05919	1.2
236.14600	1.3
236.16527	1.0
241.06549	1.1
247.20593	0.8
248.16541	0.6
255.08044	2.7
257.18839	0.6
264.14185	6.0
265.15033	0.7
269.09561	1.5
270.10324	5.9
271.10928	1.1
275.20096	5.8
281.14508	1.6
282.15216	33.3
283.15567	0.4
293.21231	1.3
307.17166	0.6
308.09119	1.5
323.16177	0.7
332.20178	0.6
333.18677	2.0
339.17422	1.1
350.21478	8.7
351.19806	1.9
368.22543	12.7
378.20868	1.0
384.17136	11.2
385.17773	2.4
453.24182	100.0
454.24448	2.2
479.26166	0.8
525.26141	4.3
582.28265	2.1
600.29529	8.6
600.38434	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54551	2.7
53.03948	3.4
55.05500	11.2
57.07078	6.4
67.05506	20.0
69.03426	7.2
69.07067	12.2
70.00400	6.0
70.00797	7.5
72.46835	2.8
79.05502	21.4
81.07066	30.9
83.04987	6.2
83.08630	8.0
84.04508	4.5
91.05490	25.7
93.07056	37.1
95.04948	14.3
95.08600	24.6
97.06527	10.7
98.21418	4.8
99.20889	3.3
105.07034	41.0
107.08588	27.7
109.06512	10.6
109.10154	12.4
110.01643	3.1
117.07025	5.4
119.08588	33.5
121.06551	7.9
121.10147	40.4
123.08068	9.7
123.11718	7.3
125.09703	4.4
128.06224	7.7
129.07031	5.1
130.17010	3.7
131.08586	20.4
133.06506	5.8
133.10118	25.2
135.08044	9.6
135.11697	13.7
137.09613	9.1
139.11186	4.6
141.07054	3.0
142.07793	5.1
143.08580	13.7
145.10123	31.5
147.08063	13.2
147.11699	6.3
149.09625	15.0
151.07561	14.0
151.11253	3.4
155.08527	5.0
156.09332	7.6
157.10132	19.5
159.08040	7.0
159.11707	11.3
161.09648	8.9
161.13318	6.9
163.11201	8.0
165.09135	12.9
167.08545	4.7
167.10677	50.0
169.10139	9.2
170.10960	5.5
171.11678	16.1
173.09656	7.8
173.13300	14.4
179.08505	4.9
181.10168	7.3
181.12218	6.5
183.11707	11.6
185.13242	7.3
187.11172	4.4
187.14772	6.6
189.12819	4.2
193.10208	5.7
194.10994	3.4
194.12746	3.4
195.11719	8.2
196.12514	3.4
197.13309	10.3
199.14838	6.8
203.14261	8.0
207.11711	7.5
207.13832	7.3
209.13251	12.1
209.15247	4.0
210.14005	3.6
211.14827	6.6
213.16493	4.6
215.14421	4.4
217.15872	3.6
219.11667	3.1
221.13380	5.9
221.15350	34.9
223.14903	8.7
233.13385	5.9
233.15424	22.6
235.14778	4.4
251.14494	4.5
273.18564	4.7
299.20111	6.8
507.34564	5.0
581.39825	22.5
599.41333	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	599.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.6
53.87298	0.7
55.05513	1.6
57.03428	1.3
57.09994	0.6
67.05508	3.7
69.03419	1.3
69.07061	1.0
70.06588	0.6
71.04998	1.9
73.58804	0.6
79.05503	2.7
81.03428	2.6
81.07059	3.8
83.05003	0.8
83.08618	1.0
85.02949	0.8
91.05508	3.1
93.07047	3.2
95.04974	1.1
95.08617	1.8
97.06499	0.9
105.07044	2.5
107.08588	1.7
109.06501	0.8
109.10176	1.5
111.08032	0.8
119.08604	1.8
121.10165	1.9
123.08078	1.1
128.06169	0.6
128.22845	0.7
129.06999	1.0
131.08612	1.7
133.10130	1.0
135.11713	1.5
137.48770	0.7
145.10112	1.1
147.11681	1.3
149.09674	1.1
157.10208	0.9
173.11908	0.6
175.11194	0.7
193.12308	1.0
211.24005	0.6
212.04305	0.6
233.11528	0.9
267.15952	1.1
283.15176	16.9
339.14038	0.7
339.17755	9.3
423.14627	1.7
495.26068	0.9
599.34039	100.0
600.34149	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01855	0.7
57.03413	0.9
57.26575	0.5
60.04509	2.6
61.02898	1.7
69.03432	4.1
69.68156	0.6
69.96756	0.7
69.97066	3.5
70.06581	0.6
73.02901	0.7
73.03850	0.5
73.07773	0.6
79.05489	4.1
81.03414	14.7
81.07040	1.6
84.08118	0.6
85.02419	0.9
85.02898	10.7
91.03961	0.9
91.05465	2.5
95.04948	2.2
97.02874	3.1
103.05456	2.5
105.07064	1.3
107.04953	8.8
109.02842	0.6
115.05441	6.4
117.06221	1.1
117.07020	14.6
118.04192	0.7
119.08556	0.6
123.04436	3.4
124.05208	1.8
125.05947	1.1
126.95294	0.6
127.03908	1.9
128.06206	1.0
129.06993	2.2
130.04158	0.9
131.04910	1.4
131.08563	3.4
133.06470	2.1
137.05942	0.9
140.04672	0.7
141.06985	1.1
144.05699	2.9
145.05000	2.2
145.06479	36.2
147.04320	0.8
147.08037	0.8
151.03859	0.9
152.04666	1.2
153.05434	1.2
155.06001	3.2
155.07121	0.9
156.05690	5.9
157.06453	2.2
159.08029	5.8
160.05273	0.8
161.06001	3.1
162.07657	1.4
163.03963	0.9
167.07042	50.4
168.07365	1.2
171.04529	0.7
172.05086	0.7
173.05983	65.8
174.06569	0.8
175.03967	0.9
175.07559	1.6
177.05475	0.8
179.07109	0.9
180.08778	4.2
181.04997	1.5
183.06505	1.8
184.05186	1.2
187.07556	7.4
190.06241	36.7
191.07048	4.3
193.08630	2.9
193.15877	1.0
195.06488	1.0
202.06238	5.0
203.07002	6.5
205.08592	100.0
206.08975	1.7
207.06496	1.3
209.08095	1.0
210.06743	0.7
217.08592	43.7
218.08963	0.9
219.08076	1.1
219.10069	5.0
220.08897	0.8
223.09630	2.9
231.08083	1.2
235.09642	31.8
247.07570	1.4
247.09686	6.3
248.08334	1.5
261.09097	0.7
263.10629	1.7
264.07693	1.1
265.10709	37.3
269.07986	1.1
271.09622	1.3
275.07034	1.0
279.10275	1.2
290.09354	1.0
291.10144	1.8
293.08173	1.2
299.09369	0.9
307.09528	1.1
308.10333	1.1
315.08557	4.9
319.09729	1.4
323.12854	1.9
330.10928	7.3
331.11554	2.8
332.27759	1.1
337.10800	1.0
339.12180	1.4
343.11633	1.4
350.28912	1.0
351.12253	4.7
353.10269	0.9
368.12625	1.4
371.14963	3.5
383.10211	0.9
383.14896	12.0
401.16013	14.2
415.21588	0.7
538.46802	0.7
543.87891	0.6
598.24829	0.7
598.34192	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59684	0.8
53.03941	1.8
55.01857	0.9
55.05510	9.5
56.67928	0.9
57.03439	5.5
59.83967	0.8
61.57618	0.8
65.03941	1.8
67.05505	31.4
69.07071	8.1
71.04996	2.1
71.61460	1.0
75.80870	0.9
76.68085	0.9
79.05494	18.7
81.03420	7.1
81.07059	28.4
83.04971	1.0
83.08613	3.8
85.02912	1.4
85.06537	1.4
91.05483	10.6
93.07041	19.5
95.04970	3.2
95.08611	22.6
97.06520	1.9
97.10147	2.1
98.98466	12.9
99.04467	0.8
105.07024	7.8
107.08596	11.3
109.02877	3.5
109.06561	1.1
109.10153	9.2
111.08036	1.1
113.07370	0.9
117.07043	2.4
119.08591	5.7
121.10143	6.5
121.52347	0.8
123.08041	1.3
123.11704	2.9
131.08571	3.9
133.10146	4.2
135.11716	5.3
145.10118	3.8
147.11690	2.5
149.13271	2.2
155.00978	1.6
159.11691	1.9
161.13248	1.7
163.14902	0.9
173.13260	1.5
179.14221	1.2
184.07443	1.0
196.73129	0.9
211.13261	1.1
227.22482	0.9
243.21060	1.9
261.03729	4.2
261.22165	2.6
275.19867	1.1
277.21875	1.0
298.43323	1.0
335.07446	1.3
335.25806	100.0
336.26144	1.8
357.61884	0.9
397.21603	0.9
423.27682	1.0
460.18497	0.9
461.21765	1.0
595.38416	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01128	0.1
67.01869	0.2
68.99788	0.2
69.03395	0.1
69.57608	0.6
70.06588	0.1
71.04973	0.1
72.08129	0.1
72.95977	0.1
81.07032	0.1
84.04551	0.1
85.02870	0.3
86.09682	0.2
91.05479	0.5
91.76729	0.1
95.04927	0.1
95.08556	0.1
98.57276	0.1
100.51588	0.1
107.08542	0.1
118.39412	0.1
119.04935	0.9
121.02863	0.3
127.03876	0.1
145.02834	0.3
152.84308	0.1
153.01822	1.9
163.03876	0.2
165.01768	0.2
171.02867	0.4
181.05029	0.2
183.02910	0.1
213.35309	0.1
225.05403	0.1
229.04965	0.2
243.06517	0.1
247.06021	0.1
267.06500	0.1
270.05280	0.1
271.06003	100.0
272.06345	0.9
281.08084	0.2
283.06024	2.3
284.06747	0.3
287.05466	0.3
295.06012	0.3
297.07397	0.1
309.07504	0.5
313.07068	1.8
323.09128	0.4
337.07089	1.0
349.07074	0.3
361.07043	0.3
367.08170	0.8
370.18900	0.1
379.08215	0.5
397.09033	0.6
415.10098	1.1
433.11307	26.0
434.11453	0.2
475.11850	0.1
595.16241	1.6
611.59375	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	595.1657
Annotation	Apigenin 7-allosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
59.47520	0.1
67.01832	0.2
68.99475	0.1
68.99792	0.2
69.55566	0.2
69.55968	0.6
70.06571	0.1
71.04958	0.1
81.07047	0.1
85.02919	0.5
91.05460	0.6
95.04976	0.1
95.09886	0.1
97.02889	0.1
99.04454	0.1
107.04922	0.1
107.08566	0.1
119.04956	0.9
121.02870	0.5
127.03897	0.1
145.02858	0.3
145.04779	0.1
153.01825	2.1
163.03911	0.2
165.01779	0.1
171.02863	0.3
181.04953	0.2
183.02930	0.2
209.15295	0.1
225.05540	0.1
229.00545	0.1
229.05014	0.3
243.02827	0.1
243.06511	0.1
266.20068	0.1
267.06570	0.2
270.05075	0.1
271.06000	100.0
272.06311	0.8
281.08264	0.2
283.05991	3.7
284.06760	0.3
287.05579	0.1
295.06012	0.3
295.09598	0.1
297.07739	0.2
309.07550	0.7
313.07098	2.3
323.09137	0.4
333.07361	0.2
337.07010	1.4
337.10718	0.2
349.07260	0.5
351.08762	0.1
361.07056	0.4
367.08099	0.9
379.08127	0.6
397.09137	0.7
415.10162	1.4
433.11310	25.2
434.11868	0.2
499.12335	0.2
595.16461	1.5
595.24066	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	595.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.8
55.05518	2.3
55.50857	1.5
57.03414	3.3
59.78905	1.8
61.02924	4.4
61.25560	1.6
68.81030	1.7
69.03425	3.0
70.06595	2.6
71.04989	7.1
71.60509	2.9
72.08147	1.7
79.05482	2.3
81.03405	2.9
81.07060	1.7
83.04984	2.0
84.08134	2.4
85.02913	14.8
86.09698	1.8
89.30383	1.5
91.05453	1.9
93.03441	2.1
93.07024	2.4
95.04977	1.9
95.08590	5.4
97.02894	4.6
105.07018	3.0
107.04934	3.0
107.08602	3.2
109.10160	2.1
111.04443	1.6
119.01907	2.8
119.04932	2.7
120.08066	1.7
121.02840	9.9
121.10143	6.7
123.08064	2.3
127.03920	2.5
131.26036	1.8
133.10208	3.9
134.05936	1.8
137.02333	6.1
139.11215	5.1
145.02843	1.8
147.11613	1.8
149.06012	6.4
151.03899	22.1
153.09187	2.0
157.13203	1.7
167.07024	1.9
173.13185	1.6
175.03871	3.1
175.14757	2.1
181.04916	3.5
183.02937	1.9
187.03949	2.8
189.01828	2.3
191.03362	4.2
191.14252	4.1
195.02878	6.4
203.03372	4.1
207.02954	3.7
209.15581	2.1
213.05522	1.8
215.03416	1.8
217.05016	5.3
219.02905	2.4
221.04478	2.1
233.04456	3.1
243.02879	2.3
245.04497	2.6
256.07346	2.5
259.06119	3.2
261.03986	2.9
271.06064	14.1
273.03845	3.0
281.08182	3.3
283.06003	45.9
284.06757	21.2
287.05505	17.5
287.12628	1.9
291.14478	3.8
292.14749	1.8
295.06000	9.5
295.09158	1.7
297.07645	11.1
298.08307	3.2
308.06781	6.2
309.04385	2.4
309.07657	7.7
309.15378	2.6
310.04922	8.1
310.08017	2.9
311.05646	4.0
311.09094	3.9
313.07062	65.7
313.10715	3.9
314.07727	3.2
319.17410	4.0
319.67593	4.8
321.07562	3.3
322.04688	7.2
322.08322	3.3
323.05423	4.6
323.09128	14.5
324.06241	13.9
325.07059	46.8
326.07556	3.9
327.08588	5.0
336.06317	13.7
337.07059	45.4
337.11099	2.9
338.07797	13.5
339.08646	12.1
340.05743	3.5
343.08243	6.2
348.06268	4.7
349.07156	5.8
350.07901	12.8
351.08643	26.5
352.05606	3.9
353.06430	2.3
353.10291	4.3
355.03729	3.0
355.08127	51.1
359.09088	1.8
360.06284	5.4
362.07782	3.2
363.08627	10.2
364.09335	2.6
365.06274	2.3
365.10345	13.9
366.07291	6.3
367.08075	42.1
369.09842	4.4
375.08597	5.5
377.10181	5.0
378.07367	4.6
379.08099	37.5
380.08554	3.2
381.09619	16.7
385.09070	7.2
391.07950	19.4
391.12286	2.1
393.09634	14.9
395.11368	2.4
397.09238	20.7
400.20203	3.3
400.70245	4.7
401.20358	4.7
403.07880	8.6
405.09686	4.8
409.09152	49.6
415.10211	21.4
417.09671	3.4
421.09207	33.6
427.10165	5.9
433.11359	100.0
435.10699	2.6
439.10239	51.2
440.10742	2.1
443.13568	3.7
445.09964	6.0
447.11121	2.2
451.10141	5.2
457.11310	67.5
458.11972	2.0
463.10196	7.6
469.11115	5.0
475.12079	11.0
481.11179	3.9
487.12253	9.4
493.11551	4.3
499.12341	9.6
505.12341	6.3
511.12460	29.0
523.12280	12.1
529.06140	2.5
529.13409	27.0
541.13403	53.3
559.14453	38.2
577.15405	25.2
595.15833	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.9
55.05511	16.0
55.65284	1.4
57.03439	9.6
59.04998	1.6
66.89292	1.4
67.05170	1.7
67.05506	20.8
69.03434	5.4
69.07053	4.3
69.96378	6.8
71.05000	3.2
74.32606	1.3
79.05492	21.5
81.03417	50.3
81.07058	22.5
82.18796	1.5
83.04971	4.3
83.08615	13.9
85.06543	2.5
91.05474	16.6
91.23382	1.5
93.07049	18.2
95.04961	22.0
95.08607	9.4
97.02908	1.9
97.06525	3.7
97.10164	14.3
102.63546	1.4
105.07030	16.1
107.04959	15.1
107.08591	13.1
109.06529	8.3
109.10135	6.7
111.04475	1.3
111.08077	5.2
117.07042	3.9
119.08589	12.4
121.06521	9.1
121.10161	9.7
123.08077	5.4
125.09634	16.1
129.07002	6.6
131.08542	9.0
133.06519	3.3
133.10143	7.4
135.08087	6.1
135.11714	3.8
137.09622	1.9
141.06967	2.0
145.06476	4.8
145.10123	4.1
146.00098	1.4
147.08055	4.1
147.11694	5.6
149.09636	6.0
149.13304	1.9
151.11212	2.5
153.09134	4.6
155.08566	1.9
157.10109	6.8
159.08011	2.0
159.11617	2.0
161.09624	1.8
163.11218	4.1
165.12733	2.5
168.60240	1.4
169.10089	1.7
171.11641	1.7
173.09584	1.7
173.13243	2.5
175.11226	5.2
177.12753	1.5
183.08075	1.4
183.11646	1.5
184.62036	1.3
185.09581	1.8
187.11301	1.9
189.11227	6.2
189.12729	2.6
193.12247	13.0
197.13274	2.5
199.11223	2.0
203.14333	1.5
211.11143	1.8
211.13147	1.9
213.12737	2.9
217.12164	1.7
219.13809	4.7
225.12779	1.7
227.12675	1.8
231.13718	1.5
233.15358	4.6
241.14368	2.6
249.14983	2.4
255.13922	2.4
267.13019	2.2
267.15909	44.2
271.16989	1.5
273.04678	1.6
273.14847	5.8
293.17545	2.5
303.37955	1.5
308.35397	1.7
317.16150	3.7
339.23349	1.7
349.21674	4.3
357.24405	3.1
367.22647	13.5
385.23810	27.1
403.24911	10.9
441.26511	8.0
459.27429	100.0
460.28061	1.9
477.28500	91.9
478.28241	1.7
491.30023	11.1
509.30893	4.9
565.45135	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	594.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05523	1.6
56.05017	0.3
57.03436	5.0
58.01672	0.3
58.06585	0.6
61.02918	2.3
67.05499	3.3
69.03073	0.4
69.03427	5.5
69.07076	1.7
70.06592	6.5
70.66119	0.9
71.01335	0.7
71.04988	0.3
73.02914	19.6
79.05490	0.7
81.03425	0.8
81.07059	3.7
82.06587	0.4
83.08615	1.1
84.08133	0.5
85.02905	10.1
87.04470	1.1
88.23702	0.3
93.07040	1.0
95.08598	4.0
96.08109	1.4
97.02881	4.2
97.08880	0.4
97.10170	0.6
98.09683	1.5
99.04441	0.8
103.03942	0.6
107.08615	0.4
108.19096	0.3
109.02866	1.1
109.10136	1.5
110.09674	0.6
114.09170	0.5
115.03957	2.0
123.11678	0.5
127.03923	2.2
133.04973	0.6
138.12770	0.4
141.62199	0.3
145.04984	0.8
152.14375	0.3
182.19093	0.4
236.23819	0.3
264.26859	18.9
282.27911	27.7
283.28265	0.3
290.01569	0.3
290.49780	0.3
300.28958	35.1
324.29016	0.7
342.30142	1.0
364.42932	0.3
416.22739	0.3
444.33325	2.8
462.34241	8.6
473.53055	0.4
557.43848	0.4
576.37384	0.4
594.38464	100.0
595.38892	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	593.3683
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71238	1.8
53.03938	5.9
55.01866	15.2
55.05508	42.0
57.03432	14.3
65.03934	4.7
67.05502	64.9
68.05830	1.7
69.03428	7.4
69.07057	18.0
70.55972	4.0
70.56334	3.7
71.04967	8.7
73.02877	2.4
79.05485	57.9
80.05808	2.0
81.02930	3.3
81.03412	61.1
81.07050	100.0
83.04974	31.7
83.08617	36.9
84.34734	1.7
85.02894	23.9
85.06562	3.0
91.05461	48.0
93.07033	40.7
95.04960	40.5
95.08606	27.2
97.02917	5.0
97.06544	12.1
97.10156	28.6
99.04431	5.1
99.08095	4.4
103.05480	2.4
105.07024	38.8
107.04965	15.0
107.08588	31.7
109.06496	16.4
109.10133	18.1
111.04442	20.9
111.08102	15.8
113.06027	4.6
115.05432	2.4
117.06988	12.1
119.04991	2.2
119.08575	34.4
121.06493	11.6
121.10124	17.5
123.08067	27.4
123.11647	2.2
125.06008	3.7
125.09605	22.6
129.06996	14.4
131.08569	22.5
131.79733	1.9
133.06499	5.4
133.10129	13.6
135.08076	9.8
135.11696	14.1
137.05885	1.6
137.09599	7.0
139.11168	2.9
140.14725	1.8
142.07779	3.5
143.08572	6.7
145.06525	2.4
145.10127	16.1
147.08008	12.8
147.11682	19.2
149.09578	15.0
153.09111	3.1
153.12759	13.3
157.10109	14.7
159.08054	2.4
159.11646	6.2
161.09595	8.9
163.11163	22.7
165.09105	6.2
165.12698	4.0
171.10162	2.4
173.09578	3.7
175.11195	15.0
181.12166	12.3
183.07956	2.5
183.11572	1.8
185.13274	2.6
189.11200	28.9
189.12724	3.3
191.10692	7.8
193.12216	34.1
201.12706	2.5
209.11658	4.1
211.11366	2.0
211.13260	49.6
223.13322	6.0
227.12703	24.4
249.14833	2.1
255.17453	4.0
263.20053	2.5
267.15903	19.2
273.18463	24.6
275.20065	4.0
283.15442	5.5
285.16904	26.7
291.19537	63.8
293.20905	2.5
309.20560	6.7
331.22580	2.4
347.22119	5.9
361.59100	2.1
365.23273	25.3
424.98102	1.8
447.28952	3.6
465.30017	5.3
483.31082	5.7
501.32242	3.7
539.33569	6.3
557.34692	21.6
575.35675	39.8
576.36053	2.2
593.36908	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	593.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	2.2
57.03423	1.8
57.07059	3.7
67.05486	3.8
69.07046	1.5
69.96188	2.8
69.96576	2.6
71.08611	1.7
79.05505	1.3
81.07056	2.5
83.08592	1.4
85.10146	1.4
92.15606	1.0
95.08593	2.3
97.10191	2.2
109.10147	2.2
178.49008	1.1
229.14415	2.0
231.08318	1.3
271.56171	1.3
313.27356	4.3
314.27753	2.7
337.13586	1.1
403.19043	2.9
404.19647	1.3
405.20966	1.3
417.21014	4.8
418.21545	2.8
419.22229	2.7
431.17834	6.5
432.19135	2.7
433.24271	9.6
445.19974	11.9
446.20840	5.5
447.21829	3.8
459.21646	3.2
460.22543	13.1
461.23267	12.4
473.23511	3.5
487.24808	1.5
491.24564	1.4
505.22455	4.5
519.23773	1.4
533.25464	48.4
534.25836	2.4
593.27539	100.0
594.28278	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	593.276
Annotation	Pheophorbide a
Peak:m/z	Relative Intensity
50.37374	2.8
50.96880	2.9
57.07078	3.5
58.00802	2.5
64.16926	2.7
67.05535	3.2
69.71646	3.0
71.61405	6.1
89.09451	2.7
92.30321	2.9
105.07037	3.5
127.89015	3.1
207.81705	3.7
211.35454	2.7
244.64629	3.0
290.71701	3.5
417.21216	3.7
419.21985	3.6
431.18457	7.9
433.24182	5.6
445.20398	7.2
446.20551	3.2
447.22067	5.2
459.21762	3.4
460.22635	11.6
461.23367	7.1
505.22849	5.0
533.25476	27.4
593.27631	100.0
593.46136	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	592.4061
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	4.1
55.05507	10.3
67.05501	18.8
69.03433	5.6
69.07069	5.1
71.05003	3.8
71.60310	3.2
79.05483	20.9
81.03418	5.1
81.07061	24.6
83.04975	3.5
83.08611	6.1
91.05463	7.9
93.07038	29.9
94.06596	13.7
94.07291	2.6
95.04965	6.9
95.08621	21.3
97.06527	5.9
97.10162	5.9
105.07036	17.0
106.07350	2.8
107.04913	3.1
107.08587	6.3
109.06473	3.8
109.10162	4.4
110.09668	9.2
111.08102	18.1
113.17670	2.6
117.07001	4.4
119.08623	6.7
121.10140	5.5
122.09673	30.7
123.08058	26.7
128.10709	33.0
131.08601	4.1
133.10103	4.9
135.11678	3.2
140.10698	100.0
141.09094	10.8
158.11855	5.6
165.65025	2.8
227.12724	4.4
238.31705	2.6
272.25900	4.0
288.97308	3.5
292.19775	6.8
308.69946	3.0
343.85059	3.2
366.23260	5.0
382.33112	9.4
394.33124	24.7
412.34192	81.5
574.34784	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	592.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64537	0.5
55.01834	1.6
55.02134	0.4
55.05468	1.6
56.04977	0.9
57.03387	5.5
60.86439	0.5
61.02917	3.6
62.06042	0.5
67.05505	3.5
68.57572	0.5
69.03429	7.4
69.07067	8.2
70.06584	3.9
71.01328	1.0
71.04951	1.3
71.51176	1.2
72.08092	2.3
72.08457	0.8
73.02916	20.0
73.06523	0.9
81.03431	2.3
81.07063	4.2
82.06527	1.3
83.08617	0.7
84.08105	1.3
85.02895	12.7
86.06065	15.3
87.04485	2.4
87.04883	0.5
91.05464	3.4
93.07030	3.7
94.06516	2.3
95.04914	0.8
95.08611	7.5
96.08136	5.9
97.02884	4.5
97.06464	1.9
98.09689	5.2
99.04388	1.5
100.23988	0.5
105.06994	1.7
107.08575	1.2
108.08100	3.3
109.02843	1.5
109.08900	0.8
109.10118	2.6
110.09628	1.9
110.29200	0.5
112.07619	0.5
114.09114	1.0
115.03918	2.5
115.07540	3.2
116.10729	38.0
119.08570	5.8
120.08066	1.1
121.10156	1.1
122.09654	3.5
123.33588	0.5
124.07511	2.0
127.03986	2.6
127.09940	0.8
129.06870	0.5
133.10118	0.7
136.11102	0.5
137.09618	4.1
140.10632	2.2
142.08623	3.9
145.05013	0.5
147.07983	1.5
165.09068	1.0
168.86894	0.5
209.11693	0.6
212.16447	4.4
220.16969	0.6
222.22200	0.6
230.17514	2.9
236.20192	0.7
237.70364	0.5
238.17969	0.9
244.15382	1.1
245.13791	0.6
254.21170	3.9
256.19095	2.3
260.23807	1.1
262.25290	15.0
271.05978	1.9
272.06339	1.3
280.19232	3.6
280.26352	31.2
281.26697	0.6
287.05637	0.5
295.48361	0.5
298.20398	3.0
298.27399	57.6
299.27676	1.2
316.21182	67.6
317.21503	1.8
332.20575	0.8
334.01395	0.6
340.28589	2.5
374.21918	0.5
384.59009	0.5
392.22839	1.3
412.26959	2.0
427.84384	0.5
430.28119	1.8
442.31638	0.6
460.32687	15.7
478.26440	21.4
557.12750	0.6
592.36932	100.0
593.37219	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	592.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05507	2.1
57.03431	0.8
62.06084	0.9
67.05509	2.9
69.03427	5.6
69.07069	1.2
70.06559	1.0
70.51810	1.2
70.52141	1.2
70.62068	0.6
71.04996	0.6
71.08353	0.6
71.08636	6.4
72.08129	1.7
73.02905	0.8
74.88959	0.6
79.05483	3.9
81.03408	2.2
81.07056	3.7
83.08620	1.1
84.04547	0.7
84.08130	1.5
85.02905	4.7
86.06071	14.4
87.04466	1.2
91.05477	1.9
93.07043	3.7
95.08598	2.2
96.08126	2.6
97.02931	3.3
97.06554	1.3
97.10194	1.5
98.06055	1.4
98.09703	6.9
99.04435	0.8
99.08094	9.0
99.83844	0.6
105.07032	1.1
107.04987	0.7
107.08614	3.8
108.08109	2.1
108.69016	0.7
109.02864	1.1
109.10155	1.8
111.08070	1.7
114.41949	0.6
116.10732	50.9
117.07011	2.0
122.09662	2.3
124.07570	1.1
125.09623	2.1
127.03934	3.3
135.08040	3.6
137.49693	0.6
140.10727	0.8
141.05460	0.6
142.08614	1.2
142.12315	1.0
143.10684	2.9
153.09106	2.6
154.15990	0.6
163.07565	1.1
166.15918	0.9
196.16963	2.0
199.13306	1.2
210.18721	0.9
214.18016	27.1
214.25871	0.7
225.11218	1.1
238.18065	2.1
243.12163	1.4
252.19582	1.4
256.19031	3.5
257.04504	2.6
258.04797	3.1
261.13284	5.3
268.18997	2.2
270.20642	5.5
272.18509	1.0
286.04660	2.0
286.20004	6.3
287.05411	5.5
288.05865	3.5
296.18591	1.0
314.19623	3.6
323.73260	0.7
332.20663	100.0
333.20856	0.9
376.23123	3.5
383.11288	7.9
384.11597	17.3
385.11743	0.8
412.26904	2.1
415.13831	6.3
416.14206	21.8
417.14450	1.2
430.28012	28.1
467.20511	1.0
494.25961	20.7
572.82538	1.1
592.17657	4.0
592.33167	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	592.3332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63026	0.3
53.03938	0.4
54.33492	0.2
55.01860	0.8
55.05519	2.3
56.05020	0.4
57.03426	0.7
57.07072	0.6
60.04503	0.4
60.18645	0.2
61.02910	1.0
62.06076	0.7
62.74281	0.3
67.05209	0.3
67.05510	2.8
69.03088	0.4
69.03432	4.7
69.07055	1.2
70.06583	1.2
70.13549	1.4
71.04987	0.6
71.08630	5.4
72.08160	2.4
73.02909	0.8
79.05490	4.4
81.03418	1.3
81.07060	3.5
82.06566	0.4
83.07350	0.3
83.08603	1.0
84.04498	0.4
84.08129	1.2
85.02906	4.0
86.06071	16.2
86.09716	0.5
87.04449	1.2
91.05464	1.4
93.07042	3.2
94.06567	0.6
95.04979	0.7
95.08611	2.6
96.08136	2.9
97.02893	2.5
97.06534	0.8
97.10168	1.1
98.06072	0.9
98.09692	5.4
98.21383	0.5
99.04446	1.1
99.08097	7.1
100.07626	0.4
101.57758	0.2
105.07015	1.1
106.06561	0.4
107.04947	0.4
107.07362	2.5
107.08582	4.2
108.07518	0.3
108.08234	1.3
109.02903	1.1
109.06534	0.9
109.10166	2.0
110.09680	0.7
111.08091	1.5
114.09184	1.0
115.03989	0.3
116.10735	44.0
117.07043	1.2
119.08581	0.8
121.06469	0.6
121.08873	0.5
121.10126	0.4
122.05970	0.4
122.09671	23.5
123.08073	0.4
123.09143	0.4
123.10004	6.4
124.07578	1.3
125.09657	2.0
126.02200	0.3
126.09132	0.5
127.03899	2.9
131.08578	0.3
133.10132	0.4
135.08070	3.3
136.07513	0.3
136.11212	0.6
138.09087	0.6
140.10754	1.0
142.08638	1.4
142.12297	1.0
143.10660	2.9
145.04976	1.1
145.06534	0.3
147.11705	0.5
149.13353	0.3
152.10719	0.4
153.09116	2.1
154.12302	0.4
163.07544	0.7
164.07077	0.3
169.20638	0.3
181.08511	0.4
183.10217	0.4
185.11742	0.6
186.14828	0.3
192.02821	0.3
196.17001	0.9
198.14891	0.3
199.13290	0.6
207.13708	0.3
210.18626	0.9
214.18028	7.1
220.17078	0.8
222.18521	0.5
225.11194	0.6
226.18134	0.5
234.18582	0.4
237.41985	0.3
238.18015	2.0
243.12352	0.8
250.18089	1.0
252.19658	1.2
254.24980	1.1
256.19073	3.2
261.13348	4.6
268.19083	1.9
270.20642	4.6
272.18591	0.4
286.20142	5.8
296.18634	0.6
300.25241	0.3
308.26389	0.3
314.19601	3.9
332.20676	100.0
333.21121	1.0
344.28339	0.3
376.23376	0.9
412.27026	1.8
430.28033	22.3
471.19510	1.3
494.25986	17.8
592.33624	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	592.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.8
55.01859	1.0
55.05506	2.5
57.03433	1.6
60.04525	0.7
61.02922	0.8
67.05497	4.3
68.04608	0.8
69.03434	4.2
69.07068	1.8
70.06591	1.0
71.04972	1.3
71.08627	5.0
71.59887	0.8
72.08143	2.2
79.05502	3.6
80.05017	0.7
81.03429	1.2
81.07054	7.3
82.07365	0.6
83.08623	1.5
84.08131	1.4
85.02895	5.4
86.06071	8.9
86.09711	2.2
87.04457	1.3
91.05473	2.4
93.07040	4.5
94.06534	0.9
95.04977	1.5
95.08606	4.3
96.08126	1.8
97.02887	2.9
97.06508	1.0
97.10167	1.0
98.06036	0.6
98.09724	3.6
99.04459	1.2
99.08088	5.0
105.07043	2.3
106.06554	2.2
107.07352	12.4
107.08535	3.6
108.07623	1.8
108.08254	0.8
109.02860	1.2
109.06535	1.1
109.10170	2.3
111.08077	1.0
116.10736	26.9
117.06988	1.5
119.08611	1.0
120.08127	1.0
120.62170	1.0
121.10159	1.4
122.09669	100.0
123.10007	30.4
124.07613	1.0
125.09705	1.3
127.03906	2.5
131.08548	0.8
133.10190	1.4
135.08064	2.2
135.11681	0.9
136.07596	1.1
143.10710	2.4
145.10178	1.5
148.07555	0.8
153.09117	2.3
154.16000	0.8
159.11600	0.9
164.07079	1.1
165.07513	0.7
166.39444	0.6
171.10237	0.8
176.10725	0.9
181.09776	2.1
189.11226	0.8
191.08160	1.5
196.17024	2.9
202.08643	1.1
214.18025	49.6
217.10535	0.8
238.18050	0.8
261.13336	2.1
267.09213	0.7
268.19095	1.1
270.20639	2.5
285.10062	1.3
286.20203	2.9
287.51950	0.7
314.19620	2.2
332.20654	48.6
358.44016	0.7
376.23386	6.3
394.62439	0.7
397.62991	0.8
399.66122	0.7
412.26675	1.1
430.28091	16.7
449.19070	1.9
453.18445	0.8
467.19653	1.6
470.19080	1.8
471.19757	4.7
479.43430	0.8
494.25742	8.2
574.26825	1.0
592.33850	7.2
593.24445	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	592.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47431	0.6
55.01866	1.4
55.05523	3.3
56.05048	0.7
57.03442	6.5
59.05047	0.6
60.04509	0.7
61.02925	3.2
65.61085	0.7
67.05516	4.8
69.03431	9.6
69.07070	13.1
70.06590	3.4
70.16845	3.4
71.01365	1.0
71.05008	1.5
72.08157	2.7
73.02924	19.3
73.06577	1.3
79.05512	3.0
81.03446	2.8
81.07055	3.2
82.06588	2.0
83.08624	1.5
84.08157	1.3
85.02908	13.7
86.06072	24.1
86.09721	1.0
87.04501	1.3
91.05482	4.1
93.07036	4.6
94.06593	2.7
94.16990	0.6
95.08611	6.2
96.08133	10.7
97.02891	6.7
97.06554	2.4
98.09695	4.6
99.04484	2.2
100.07644	0.8
105.07069	1.4
107.08598	1.4
108.08130	5.6
109.02882	2.2
109.08873	0.7
109.10166	3.8
110.09707	2.0
111.08071	0.8
112.07602	1.0
114.09164	1.3
115.03941	2.2
115.07595	2.5
116.10734	45.3
119.08590	8.6
120.08121	0.8
121.10169	0.7
122.09675	4.7
123.08074	1.2
124.07617	1.8
127.03929	4.1
133.05006	0.8
134.09709	0.7
136.11272	1.2
137.09637	4.9
138.09163	0.6
140.10756	2.6
141.09154	1.0
142.08636	12.1
145.04974	1.0
147.08095	2.3
150.12878	1.0
151.11267	1.6
152.14380	0.9
154.08794	0.7
154.12289	0.8
165.09167	1.5
175.14899	0.7
176.97961	0.7
182.15593	0.7
183.10262	1.4
194.15376	0.9
201.11160	3.2
208.13368	0.7
212.16463	43.8
227.12816	0.7
230.17505	14.9
244.15512	4.7
245.14011	0.9
254.21234	1.6
256.19104	1.0
260.23795	0.9
262.25351	13.5
271.06131	1.1
272.06516	1.6
278.16074	2.2
280.19238	2.8
280.26379	29.1
287.05502	1.5
298.20322	2.9
298.27408	51.8
316.21207	44.3
340.28763	2.1
374.21719	11.1
392.22754	7.0
412.26889	5.5
430.28009	12.0
460.32745	13.3
478.26538	13.7
574.32471	7.1
592.37012	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	592.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01827	1.0
55.05460	2.5
57.03406	1.2
58.29989	0.5
60.04486	0.8
61.02873	2.0
62.06040	0.7
64.62701	0.5
66.82677	0.5
67.05505	3.8
69.03422	8.3
69.07063	15.9
70.06588	2.8
70.06886	0.6
71.04950	1.8
71.59263	0.7
72.08149	4.3
73.02874	2.0
73.06512	1.6
79.05457	1.3
81.03413	3.6
81.07040	2.9
84.08102	1.3
85.02904	10.7
86.06064	43.8
86.09665	1.1
87.04408	1.5
87.85236	0.5
91.03927	0.8
91.05479	6.5
93.07041	4.8
95.04945	1.3
95.08076	0.6
95.08596	8.1
96.08131	11.9
97.02879	4.9
97.06521	3.5
98.09688	6.4
99.04446	2.7
100.07592	1.3
101.02342	0.6
105.06980	1.2
107.08590	1.0
108.08125	3.2
109.02862	1.5
109.06506	1.2
109.10163	3.8
110.09657	1.0
114.09116	1.9
115.07569	3.2
116.10725	57.3
119.07801	0.9
119.08574	10.9
120.08042	1.1
121.10128	0.8
121.46671	0.6
122.09616	2.2
123.08099	1.0
124.07581	3.5
126.09084	0.9
127.03910	2.8
134.09650	1.4
136.11159	1.2
137.05927	0.6
137.09610	9.9
138.09082	1.5
140.10658	1.5
141.09038	1.6
142.08626	25.7
145.04907	0.9
147.08011	1.9
151.11162	2.0
152.10699	1.0
154.12198	1.1
155.10637	1.8
165.09160	4.0
169.12222	0.8
170.11722	0.8
183.10176	4.8
184.13274	0.6
184.16945	0.8
187.14403	0.8
194.15390	2.7
201.11191	9.1
208.13326	1.9
212.16444	100.0
221.66299	0.7
230.17503	21.5
244.15436	12.6
271.06024	5.5
272.06351	2.2
278.15955	7.1
311.13571	0.7
316.21185	6.6
327.15070	0.6
332.20764	1.7
345.15604	1.1
358.22327	0.6
374.21713	39.6
392.22757	22.7
412.26874	11.9
430.28030	29.1
478.26413	6.8
556.38684	0.7
574.32184	22.5
592.33508	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.3329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	1.6
55.02072	0.6
55.05458	2.6
56.04984	0.9
57.03383	1.7
60.04472	0.8
61.02863	1.8
62.06034	0.5
67.05442	4.1
69.03432	7.7
69.07005	14.8
69.07403	1.0
70.06537	2.2
70.99432	0.9
70.99745	0.5
71.04962	1.0
71.07347	0.7
72.08092	3.0
73.02868	1.4
73.06512	1.3
74.06030	0.7
79.05420	1.6
80.05003	0.5
81.03434	3.3
81.05730	1.3
81.07070	2.5
82.06596	0.6
83.04916	1.0
83.37585	0.4
84.04461	1.0
84.08080	1.6
85.02911	10.6
85.06497	1.0
86.06071	42.6
86.06570	1.5
86.09646	1.9
87.04417	1.4
87.41518	0.4
91.05483	5.6
93.07039	3.7
95.04898	1.3
95.08617	8.4
96.08132	11.5
97.02895	5.2
97.06544	3.3
98.03746	0.6
98.05990	1.7
98.09696	6.0
99.04391	2.2
100.07591	0.8
101.02332	1.0
105.06965	1.7
107.08527	1.6
108.08128	3.2
109.02816	1.6
109.06447	1.2
109.10166	3.2
110.09633	1.2
111.04424	0.5
112.07552	0.9
114.09090	1.8
115.07573	3.1
116.10737	58.8
117.06997	1.0
119.08589	13.3
120.08097	1.0
121.10148	0.5
122.09611	2.2
123.08063	1.2
123.11662	0.5
124.07588	4.3
126.01612	0.6
126.09126	1.2
127.03933	3.4
135.11647	0.6
136.11165	0.7
137.05904	0.7
137.08687	0.6
137.09634	10.3
138.09113	0.9
140.10657	1.8
141.09062	1.4
142.08641	27.0
145.04967	1.2
147.08054	2.3
151.11099	1.7
152.10675	1.3
152.14293	0.9
154.12222	1.7
155.10620	1.5
159.11638	0.7
164.14240	0.7
165.09106	4.9
170.11682	0.7
176.14290	0.7
182.15288	0.6
183.10141	4.2
187.14415	0.8
190.88846	0.5
194.15468	2.3
201.11220	10.0
208.13345	1.5
209.78668	0.5
212.16464	100.0
216.23624	0.5
226.14583	0.7
230.17520	21.0
244.12955	0.9
244.15443	10.2
245.13734	0.5
254.21272	0.6
271.06024	6.0
272.06436	2.0
278.15988	5.6
280.19095	0.5
287.05460	0.6
298.20181	0.5
316.21249	6.1
319.15329	0.6
332.20645	1.3
345.15659	1.3
363.16751	1.0
374.21759	40.5
375.22092	0.7
392.22815	22.5
412.26950	11.2
430.28033	30.8
478.26614	6.6
574.32214	24.4
592.33789	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	591.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	8.2
55.01873	20.4
55.05508	42.5
57.03440	25.8
59.05005	3.7
59.94599	3.0
65.03927	3.9
67.05508	72.4
69.03432	9.0
69.07074	34.1
70.15133	14.9
71.04971	7.1
79.05496	71.9
81.03423	52.6
81.07060	100.0
83.04991	22.4
83.08624	32.5
85.02923	16.0
85.06550	3.8
85.10162	3.4
91.05480	66.1
93.07045	69.6
95.04974	45.9
95.08614	32.4
97.02876	5.9
97.06539	19.1
97.10175	25.2
99.08102	10.3
102.20295	3.1
103.05532	3.6
104.97174	3.6
105.07035	52.0
107.04951	20.2
107.08591	41.2
109.06519	31.2
109.10152	22.2
111.04447	13.2
111.08080	10.1
115.05460	5.4
117.07016	30.6
119.08589	40.4
121.06493	20.8
121.10180	23.1
123.04431	4.9
123.08071	11.8
123.11739	4.2
125.05969	4.5
125.09662	17.8
128.06201	6.0
129.06984	16.6
131.04869	4.0
131.08572	34.4
133.06468	7.7
133.10129	30.9
135.08046	23.5
135.11684	11.9
137.05966	7.5
137.09619	8.2
143.08563	11.4
145.06474	6.4
145.10150	23.4
147.08041	10.7
147.11671	16.4
149.09610	16.1
151.11168	6.9
153.09068	6.3
155.08498	4.3
157.10167	12.8
159.08078	6.1
159.11684	6.2
161.09622	11.9
163.07527	7.1
163.11209	21.6
168.28923	3.6
169.10085	4.7
171.11687	6.7
173.09663	9.2
173.13206	3.0
175.11220	14.5
177.12769	3.3
179.10793	3.7
181.10301	3.5
181.12254	6.2
183.11722	4.6
185.13274	5.6
188.10609	3.1
189.11232	11.9
189.12744	3.7
191.10646	7.0
193.12248	39.8
199.14748	5.1
203.37100	3.3
205.12093	3.9
209.11769	8.0
211.13223	32.0
217.15840	6.5
227.12827	13.2
249.14856	6.2
261.18518	5.7
263.80481	4.2
267.15985	11.7
271.17093	8.3
273.18500	27.6
275.20111	10.2
283.15457	29.7
285.16873	5.2
289.18024	19.5
291.19547	46.9
292.19949	4.0
299.14801	6.0
307.19098	8.0
311.20041	3.5
329.21191	3.9
347.22083	11.3
347.70816	3.7
349.23746	5.1
363.21826	8.0
365.23270	14.1
381.22842	10.2
433.24622	3.4
481.29413	6.4
499.30487	7.5
537.31958	4.1
555.33246	19.6
573.34186	55.7
591.35205	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
56.00676	0.2
56.96553	0.2
61.86405	0.1
67.05457	0.7
68.33375	0.2
69.03417	0.3
69.07046	0.4
70.73400	0.3
74.98351	0.2
79.05444	0.5
81.03368	0.3
81.07021	0.5
83.04948	0.2
83.08578	0.2
83.89085	0.2
85.02867	0.5
91.05443	0.4
91.35425	0.2
93.07004	0.6
95.04916	0.3
95.08572	0.4
95.50637	0.2
97.06471	0.3
98.97580	0.2
99.65718	0.2
105.07001	0.3
107.07344	0.2
107.08569	0.3
109.02774	0.2
109.10139	0.3
121.10138	0.2
122.09688	1.2
122.73598	0.2
123.11646	0.2
131.08418	0.2
133.10098	0.2
135.04375	0.4
135.11679	0.2
136.07564	0.2
146.36021	0.2
149.00822	0.2
153.01790	1.0
159.11646	0.2
164.06998	0.2
176.80972	0.2
201.10168	0.2
202.08633	0.2
203.03387	0.4
228.76495	0.2
229.04944	0.7
237.90599	0.2
242.05768	0.3
243.11261	0.2
257.04446	35.5
258.05179	4.5
270.05273	0.3
283.05743	0.2
285.03891	0.6
286.04709	13.9
287.05490	15.0
297.07364	0.3
303.13382	0.4
311.05673	0.2
313.07040	0.3
325.07001	0.4
339.08624	0.2
383.11230	96.5
384.11639	2.2
384.18942	0.4
398.07968	0.2
415.13858	100.0
416.14191	1.8
448.18399	0.2
450.20020	0.4
466.19855	0.5
504.24579	0.2
515.24628	0.2
527.27570	0.2
559.14069	0.8
573.26733	0.4
591.17072	14.8
591.27020	0.8
592.17365	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96540	0.2
65.23980	0.1
67.01820	0.5
67.05475	0.4
67.36066	0.2
68.99773	0.5
69.03391	0.4
69.07035	0.2
70.06571	0.6
71.60863	0.2
72.08125	0.2
73.02880	0.5
79.05466	0.2
81.03401	0.5
81.07031	0.6
84.52747	0.1
85.02880	0.7
85.06516	0.2
86.09708	0.3
91.05440	0.6
93.07014	0.5
95.04961	0.3
95.08584	0.4
96.08081	0.5
97.02864	0.2
105.06994	0.3
109.02894	0.3
109.10132	0.3
110.09663	0.5
113.02309	0.2
119.04943	1.5
119.08517	0.2
120.08091	0.5
121.02854	0.6
122.05991	0.2
122.09688	0.2
123.11662	0.2
124.07597	0.4
125.05968	0.2
127.03902	0.3
131.08513	0.3
133.10080	0.3
137.06018	0.2
138.09131	2.5
139.03865	0.2
141.07004	0.2
145.02812	0.6
145.04987	0.2
147.11726	0.2
153.01828	9.1
153.05367	0.4
159.00537	0.3
161.05910	0.4
163.03900	0.4
165.01874	0.2
171.02879	1.0
175.03703	0.2
181.06575	0.2
185.09546	0.2
187.07536	0.6
189.01837	0.3
189.09094	0.2
203.03481	0.3
203.07077	0.2
203.10612	0.3
207.02834	0.5
213.05446	0.3
225.05354	0.2
227.07164	0.2
229.05000	0.4
229.08650	0.2
231.10229	0.5
237.05502	0.6
243.06461	0.4
244.15623	0.4
253.04984	0.4
255.06543	0.5
257.12875	0.3
265.04926	0.5
269.04446	0.4
270.05139	0.2
271.06009	100.0
272.06329	3.1
281.04553	0.5
282.05203	0.6
283.05994	0.6
287.05487	0.7
293.08093	0.3
295.05960	0.3
297.03955	6.2
297.07373	0.3
298.04706	4.0
299.05499	2.5
299.22177	0.4
307.26440	0.2
310.01117	0.4
310.04721	6.6
311.05499	25.4
312.05869	0.6
313.07043	0.4
321.05838	0.7
323.05576	2.3
324.06250	1.9
325.06815	0.3
326.07895	1.8
335.05362	0.2
337.07004	0.5
339.08633	52.3
340.08920	1.1
341.10254	0.5
365.10318	1.2
370.37714	0.2
371.11444	0.5
383.11261	9.4
398.17044	0.7
415.13898	33.2
416.14203	0.8
419.15866	0.2
426.16406	0.6
429.11606	0.6
446.64316	0.2
447.09723	0.2
515.11774	0.8
515.25079	0.5
545.23834	0.6
563.25037	0.6
573.24860	0.3
573.38574	0.2
591.16406	5.6
591.27173	2.1
592.16864	0.2
605.68365	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	590.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.6
57.03431	11.6
57.07071	33.7
62.11628	4.8
62.33767	5.0
67.05498	18.9
69.07056	10.2
69.30849	44.4
69.31261	11.2
71.08630	22.8
79.05463	4.9
81.03418	53.4
81.07075	26.1
83.08614	21.2
85.10194	12.7
91.05460	14.5
93.07074	9.6
95.04967	15.0
95.08602	17.6
105.07032	11.5
107.08594	7.4
109.10136	5.8
119.08618	11.1
121.10126	5.0
147.07977	5.7
155.84390	4.8
193.12242	22.0
259.20578	7.2
267.15897	100.0
282.80820	5.4
298.72342	4.7
307.35208	4.6
313.27362	98.9
314.27661	7.9
331.96661	5.3
505.38974	73.3
523.39313	5.8
555.41479	8.6
590.48578	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	590.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01857	0.7
55.05509	2.7
57.03417	1.2
61.02910	1.3
61.98055	0.5
62.06066	0.9
67.05509	4.6
69.03421	4.7
69.07046	1.9
70.06580	1.4
71.04962	0.9
71.08633	7.4
71.60781	0.6
72.08163	2.3
73.02897	0.9
79.05479	1.8
81.03423	2.3
81.03804	0.5
81.07067	4.3
82.06564	0.6
83.04966	0.9
83.08590	1.2
84.04478	0.7
84.08125	1.4
84.24383	0.5
85.02917	5.5
85.06528	0.8
86.06070	16.4
87.04471	1.0
91.03970	0.5
91.05489	4.5
93.07055	2.3
95.04952	1.0
95.08612	2.3
96.08130	3.4
97.02902	3.6
97.06538	1.1
98.06055	0.9
98.09697	7.0
99.04446	1.6
99.07491	0.7
99.08093	8.9
105.07047	2.3
107.04958	0.5
107.08603	2.7
108.08152	2.7
109.02874	1.6
109.06502	0.7
109.10158	5.8
113.08427	0.6
114.09144	1.0
116.10735	46.6
117.06992	1.0
119.08585	2.3
121.10181	1.0
122.09670	2.4
123.11704	0.7
124.07575	0.9
126.09132	0.6
127.03910	3.3
131.08505	0.9
133.10138	8.1
135.11742	0.5
136.11180	0.8
140.10724	0.8
142.08623	2.1
143.08548	0.6
143.10687	2.5
145.04929	1.6
145.10059	0.5
146.10373	0.6
151.11191	3.2
154.15901	2.9
161.09653	2.2
166.15904	1.9
178.15842	0.6
179.10674	1.7
185.86226	0.5
196.16943	6.0
197.11803	0.6
210.18297	0.6
214.18025	100.0
215.12790	3.5
215.18420	0.4
251.16663	0.5
252.19627	0.7
259.15350	1.1
261.13287	3.2
267.09052	0.8
268.22708	3.5
270.20743	2.4
276.19623	0.7
294.20740	4.3
312.21799	4.6
312.25150	1.0
330.22763	62.7
330.26163	3.1
331.66272	0.5
376.23322	16.1
410.29041	1.5
428.30042	25.1
474.27161	0.7
492.27872	16.8
493.28116	0.7
567.26697	0.5
590.26532	1.1
590.35394	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	590.354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	1.0
55.05499	3.8
55.78490	1.0
57.03429	1.6
61.02917	2.0
67.05502	7.5
69.03422	5.0
69.07050	3.0
70.06561	1.5
71.04942	1.1
71.08619	6.4
71.61108	1.3
72.08134	2.0
75.66950	1.1
79.05482	3.3
81.03394	3.1
81.06638	1.4
81.07062	15.3
83.08588	1.3
84.08132	3.1
85.02902	6.5
85.06564	1.5
86.06070	16.3
87.04462	1.7
91.03941	0.9
91.05451	2.3
93.07020	3.5
95.04984	1.0
95.08601	3.7
96.08120	3.5
97.02890	2.9
97.06539	2.0
98.09679	6.4
99.08085	9.2
105.06989	2.6
107.08569	3.3
108.08106	1.8
109.02880	1.9
109.10139	3.2
116.10732	41.8
122.09653	3.5
123.11702	3.6
127.03943	3.9
131.08525	1.1
133.10121	2.6
140.10713	2.4
143.10666	3.1
154.15831	1.0
187.13335	4.5
196.16966	1.5
213.14871	1.6
214.18034	45.5
221.40363	1.0
224.20076	2.1
236.20189	2.1
248.20024	1.5
259.15457	1.5
261.13394	2.1
266.21118	7.3
267.08975	1.1
268.22644	3.3
284.22205	19.2
312.21725	4.3
330.22748	100.0
361.20520	1.1
376.23309	3.5
386.53488	1.1
405.31793	0.9
410.28848	1.6
428.30011	27.4
477.83224	0.9
492.20709	1.5
492.27969	21.7
590.35431	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	589.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00036	1.7
53.03929	1.8
55.01855	1.6
55.05310	1.4
55.05514	16.4
57.03203	1.3
57.03437	11.9
57.07077	45.9
65.03921	2.1
67.05182	3.2
67.05507	40.2
69.07069	20.7
69.44185	2.8
69.44594	14.4
71.04987	4.1
71.08636	38.7
79.05492	30.7
81.03417	2.8
81.07059	50.3
83.04969	2.5
83.08616	15.0
83.47188	1.7
85.06541	4.3
85.10181	19.8
89.06035	1.7
91.05480	46.3
93.07040	36.7
95.04964	4.4
95.08607	45.7
97.06516	3.1
97.10187	8.0
99.08071	3.9
103.03996	2.0
105.07027	54.2
107.08604	24.9
109.06522	3.5
109.10160	15.5
117.07013	11.0
119.08583	45.8
121.10140	18.5
123.11705	6.5
129.07008	7.7
131.08571	19.5
133.10120	42.2
135.11678	20.2
137.09560	2.9
143.08536	7.8
145.10101	19.8
147.10509	2.3
147.11681	45.5
149.09540	2.4
149.13269	8.9
151.11165	2.2
157.10109	8.8
158.11343	1.7
159.11714	13.7
161.13263	33.6
163.11108	3.2
163.14865	3.6
171.11708	10.0
173.13268	9.9
175.14832	13.0
179.14250	2.3
185.13297	11.4
187.14842	4.6
189.12701	1.9
199.14804	7.7
203.14383	2.0
215.17792	1.9
225.21460	1.6
231.21135	10.0
239.23689	4.8
241.19531	37.2
259.20578	93.2
277.21722	4.0
313.27365	100.0
314.27481	2.3
315.23062	5.6
333.24225	52.6
351.25455	1.9
352.43280	1.7
497.43707	3.0
505.38641	2.6
571.46930	11.5
589.48340	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05524	22.0
57.07072	60.3
67.05505	37.9
68.45206	16.7
69.07071	22.9
71.08644	36.2
71.58961	18.3
71.59304	20.1
79.05499	36.3
81.03417	32.3
81.07055	44.6
83.08601	36.7
85.10200	21.7
90.86612	14.8
91.05484	22.0
93.07051	31.3
95.08608	31.1
105.07013	16.7
107.08594	25.9
111.04430	31.6
117.07005	17.4
119.08603	30.3
121.10120	17.7
128.72833	18.0
133.10033	27.8
135.11705	14.7
137.41847	15.5
145.10202	23.4
163.11206	34.8
173.33720	16.0
241.14461	35.6
313.27420	100.0
315.18021	22.8
326.47641	18.0
521.38342	58.9
553.40814	32.2
588.46820	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	588.338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	1.2
55.05495	1.0
56.96547	0.9
57.03410	1.4
59.04984	0.5
61.02927	1.9
62.06071	0.7
67.05507	2.7
68.59482	0.4
69.03085	0.4
69.03430	6.8
69.07079	2.4
70.06569	1.7
71.04971	1.5
71.59637	0.5
71.60007	0.5
72.04499	0.7
72.08155	1.8
73.02908	1.8
79.05458	1.5
81.03056	0.3
81.03416	3.7
81.07050	2.8
82.06579	0.5
83.04990	0.6
83.08632	0.4
84.08117	0.9
85.02906	14.7
85.05228	0.3
85.06529	0.7
86.05581	0.6
86.06062	8.8
86.09721	3.3
87.04462	4.8
87.10001	0.4
91.03928	0.7
91.05482	4.4
92.05772	0.6
93.07053	2.2
94.06558	0.7
95.04937	1.0
95.08597	1.8
96.08134	3.0
97.02892	5.5
97.06493	0.9
98.06033	3.2
98.09692	0.5
99.04436	3.3
103.03939	0.4
103.05451	0.6
105.07005	1.7
107.08602	2.3
108.08096	1.4
108.08823	0.5
109.02887	2.4
109.06479	1.3
109.10139	2.5
110.05981	0.4
110.07148	0.4
110.09654	0.4
111.04429	0.4
112.07549	0.9
115.12550	0.4
116.10733	4.8
116.98597	0.4
117.06992	0.7
118.06507	0.8
119.08537	1.6
120.08103	4.6
121.08426	0.6
121.10115	0.8
122.09647	1.2
123.08089	0.4
123.11671	1.1
124.07578	1.7
126.09144	0.4
127.03912	3.7
129.05467	0.5
129.10156	0.4
130.06508	0.9
131.04865	0.4
131.08501	0.4
133.10123	3.7
134.09627	0.9
135.07935	0.4
135.11635	0.6
136.07547	0.7
136.11227	0.8
137.05910	0.9
137.09613	0.8
138.09129	1.4
142.07558	0.6
142.08632	6.9
143.08600	0.4
145.04962	1.5
146.06018	0.7
148.07442	0.4
148.11166	1.0
150.12798	1.2
151.11168	2.8
152.10664	0.6
153.05373	0.3
154.12231	1.7
156.07710	0.5
160.11218	1.1
161.09596	1.3
169.12172	0.4
175.08713	0.6
178.12268	1.6
188.14349	0.8
189.14713	0.4
194.15396	4.2
196.16965	14.8
198.14890	8.2
204.13737	0.7
212.16454	48.8
213.16792	1.2
222.14896	13.2
227.43324	0.4
240.15981	7.0
240.18510	0.6
240.19420	0.6
256.15427	0.5
258.17010	100.0
259.14542	0.6
259.17389	1.5
277.91745	0.4
330.22729	0.7
365.23553	0.9
374.21729	62.2
375.22177	1.4
408.27200	0.6
420.22284	5.9
426.28485	8.6
448.18600	0.6
469.22150	0.6
571.25537	1.3
588.33832	16.9
589.25372	2.3
589.34790	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95407	2.2
51.87273	1.9
53.03940	4.9
55.01864	8.2
55.05516	18.8
57.03443	11.7
65.03957	3.6
67.05508	67.6
69.07072	16.9
69.29168	10.5
69.29597	17.8
71.01351	3.9
71.05004	3.8
79.05492	39.0
81.03419	27.1
81.07063	49.4
83.04984	7.4
83.08627	11.3
91.05492	26.8
93.07050	45.8
95.04969	47.9
95.08608	33.4
97.06506	4.8
97.10171	10.4
98.21493	5.7
103.05461	2.6
105.07030	22.1
107.04959	12.6
107.08593	23.0
109.02888	8.1
109.06522	6.4
109.10168	16.4
111.08077	3.7
117.07020	10.1
119.08591	15.0
121.06547	6.2
121.10133	19.1
123.04431	44.2
123.08044	3.4
123.11726	5.0
125.09649	7.4
129.07001	7.2
131.08559	14.2
133.06506	3.0
133.10153	11.1
135.08063	4.7
135.11673	12.3
137.06018	4.2
137.09612	2.9
142.07837	2.5
143.08565	5.1
145.06448	4.1
145.10124	17.1
147.08086	5.3
147.11694	8.0
149.13252	4.5
155.08551	4.4
159.11717	7.2
161.09631	2.3
161.13271	5.0
163.11169	14.4
169.10124	2.6
171.11678	8.7
173.09653	7.3
173.13293	3.4
185.13283	3.7
189.12778	7.6
191.10684	4.4
207.12112	2.4
207.13748	13.6
217.12259	7.8
235.13287	66.3
235.15585	4.2
243.21187	2.7
244.56398	2.4
253.14372	2.9
261.22153	7.4
261.54926	2.5
309.16989	52.7
335.25818	100.0
396.63931	2.4
443.28955	2.8
475.30927	2.4
477.33557	4.3
495.34290	3.2
569.38446	64.7
587.40131	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	587.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.0
55.05500	1.1
57.02667	0.8
69.07070	1.6
71.00056	1.6
71.00372	1.0
79.05507	1.5
81.07067	1.2
85.02918	0.8
86.09705	100.0
91.05489	5.7
93.07049	3.4
95.04997	1.6
95.08617	1.5
103.05468	9.3
105.03412	6.0
105.07054	1.5
113.10752	4.2
117.47749	0.8
118.06560	1.4
120.08107	98.4
126.23184	0.9
130.06577	1.1
134.06006	1.0
141.10258	4.1
147.09232	1.0
165.10318	2.8
167.08620	2.8
178.07796	2.6
188.14412	0.9
191.08659	0.8
193.10257	3.4
195.08090	1.8
203.08748	1.1
207.08098	1.4
208.11328	1.0
209.09619	1.6
219.08055	2.4
220.11351	1.5
221.09647	2.6
223.07599	3.8
224.10771	3.1
225.09447	1.3
225.11444	3.8
236.10658	9.9
237.11383	1.0
238.12297	5.3
240.10408	1.6
247.07565	1.4
248.10718	3.1
253.13287	6.6
254.11926	2.3
263.11850	3.2
264.10214	6.9
265.08594	1.0
282.11237	8.0
284.12930	1.1
292.09760	2.0
293.08224	1.3
299.13895	35.2
309.12369	5.8
310.10733	5.2
311.13968	2.2
327.13333	1.8
355.18335	1.4
377.18521	1.2
401.18710	8.9
412.22269	17.0
422.20856	1.5
423.19156	23.4
424.22568	1.8
428.19791	2.8
429.17981	1.9
440.21881	8.7
446.20862	3.6
457.17566	1.7
464.40524	0.9
468.21344	9.7
474.20209	13.6
484.18417	1.7
502.19418	1.1
524.25256	1.3
526.27020	1.5
541.28113	4.2
542.26166	1.7
543.29755	5.5
559.29132	50.2
560.29248	2.3
581.59283	1.0
587.28705	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2864
Annotation	(3Z)-Phycocyanobilin
Peak:m/z	Relative Intensity
53.03936	0.3
69.84824	1.6
72.08148	0.3
77.19229	0.3
86.09703	15.5
91.05470	2.9
93.07050	2.0
93.78146	0.3
95.04963	0.7
103.05462	7.4
105.03381	2.6
105.07071	0.4
106.06561	0.3
115.05412	0.3
118.06553	0.6
120.08104	100.0
121.08459	0.6
125.27467	0.3
130.06528	1.5
131.04942	0.3
131.11792	0.8
134.06039	0.5
146.06039	0.5
147.09161	2.7
156.81679	0.3
165.06920	0.4
167.08562	1.3
175.08673	1.5
178.07832	0.8
181.10162	0.3
191.08508	0.7
193.10141	1.5
195.08116	0.8
207.08116	0.8
208.11252	0.5
209.09639	1.0
219.08054	0.7
221.09618	1.6
223.07457	1.6
224.10699	1.7
225.09288	0.7
225.11539	1.1
235.07568	0.3
235.10040	0.5
236.10683	2.8
237.11490	0.4
238.12256	2.4
240.10353	0.3
247.07530	0.8
248.10791	0.5
250.12389	0.6
251.07082	0.5
253.13406	2.5
254.11855	1.2
264.10217	2.4
265.08469	0.5
265.13281	0.4
267.10248	0.4
282.11288	3.3
284.13013	0.5
293.17642	0.5
299.13904	13.2
300.14066	0.3
302.03122	0.3
306.18576	0.5
309.12396	0.6
310.10645	1.5
311.13824	0.6
321.19540	0.7
322.18231	0.7
323.21069	0.5
327.13217	0.3
333.19748	0.5
350.17450	0.5
365.15594	0.3
367.20258	3.6
378.22513	0.4
379.20273	0.4
394.21350	1.5
395.19852	0.3
400.12952	0.3
411.17072	0.5
412.22107	0.6
413.64462	0.3
421.08807	0.4
429.18640	0.4
440.21872	3.4
446.20737	9.0
446.26566	0.6
447.21216	0.4
450.20200	0.9
456.19339	0.5
457.17593	13.8
458.20248	0.9
474.20300	5.5
475.18729	1.0
502.19760	7.6
513.78320	0.3
514.27136	1.0
526.26807	0.6
541.27753	2.2
542.26129	0.6
543.29779	3.1
559.22351	0.3
559.29144	16.1
587.28656	24.4
588.29236	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2864
Annotation	(3Z)-Phycocyanobilin
Peak:m/z	Relative Intensity
54.29891	0.5
55.05511	0.6
63.47164	0.5
68.15648	0.5
69.07063	1.2
70.06567	0.8
70.67168	0.9
70.67524	1.4
72.08170	0.7
81.07053	0.6
86.09705	25.1
91.05480	17.7
93.07047	2.0
93.30340	0.5
93.75979	0.5
95.04980	1.0
97.02914	0.5
103.05468	9.4
105.03409	0.8
105.07043	1.7
106.06532	1.1
107.05003	0.7
107.08614	0.6
110.72231	0.5
113.10765	3.1
115.05474	0.8
117.05756	1.4
117.07044	0.8
118.06544	30.7
119.04945	2.2
119.07358	3.9
120.08105	100.0
121.08472	0.7
123.04440	1.4
128.04999	0.9
129.07048	0.8
130.06528	6.6
131.04973	0.9
132.08112	1.3
134.06026	0.6
136.07568	11.8
141.10222	5.3
143.08556	0.6
144.08109	0.8
146.06009	52.5
147.04427	1.1
158.05998	1.2
162.05478	2.7
164.07068	3.1
165.05499	3.1
169.10181	1.5
172.07582	0.8
173.07185	0.5
174.05414	0.8
174.12820	0.8
180.71359	0.6
182.08148	5.5
186.12770	2.7
188.14343	8.7
197.09618	0.7
203.50087	0.5
208.11215	3.8
214.12277	6.8
215.15495	1.1
220.11237	2.1
222.12752	2.9
223.07570	0.8
224.10733	0.6
232.15735	1.5
233.16490	6.5
236.10640	2.3
237.13649	0.6
238.12314	4.7
242.11771	2.7
248.10762	1.8
259.14432	18.0
265.08627	1.2
265.13391	5.0
266.11707	3.6
270.11258	4.3
281.12851	0.8
282.11316	2.0
285.12256	0.7
293.12823	12.4
303.13358	1.3
309.12338	5.2
311.13760	1.2
321.12207	1.4
329.14944	7.7
355.12891	3.4
392.20688	0.7
406.21265	5.7
417.18060	5.4
429.18106	1.7
446.20563	0.7
458.20767	1.0
474.20261	27.3
475.20554	0.7
484.18597	0.7
501.45587	0.5
502.19745	44.7
503.20010	2.4
559.29285	1.1
570.25391	1.2
587.29010	7.6
588.29022	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09239	0.6
55.05496	0.9
56.96568	0.8
59.34577	0.5
62.25836	0.5
69.03420	2.2
69.07055	2.3
70.06573	1.3
71.59334	0.8
79.05492	1.1
81.03400	1.0
81.07052	1.6
82.08080	0.5
83.15446	0.5
85.02920	3.3
86.09703	46.0
87.04450	0.7
91.05473	13.0
92.40467	0.6
93.07034	2.4
95.04959	1.5
95.08589	0.9
97.02903	1.3
97.06521	1.1
103.05457	11.6
105.03398	1.0
105.07027	1.5
106.06538	1.1
107.05026	0.9
107.08585	1.1
109.06495	0.7
113.10779	1.4
115.05437	1.3
116.04968	1.5
117.05738	0.7
117.06994	0.9
118.06535	14.3
119.04948	1.3
119.07311	3.0
119.08591	0.9
120.08102	100.0
123.04433	1.3
127.03923	1.1
129.06984	1.2
130.06516	23.2
131.04924	3.3
131.07350	1.1
131.08574	0.9
132.08101	3.6
136.07579	9.7
137.05972	1.1
141.10211	2.9
144.08109	1.4
145.08890	0.7
145.10045	0.8
146.06001	17.5
147.04349	0.7
147.09166	2.7
148.07530	0.7
158.05991	1.0
162.05536	2.0
164.07114	4.3
165.05464	2.4
167.07089	1.2
167.08540	0.8
169.10156	1.7
174.12857	1.8
175.08673	11.8
176.07092	0.9
179.08539	0.9
181.10133	0.9
182.08136	6.1
182.09599	0.9
186.12758	2.9
188.14326	18.5
191.08467	1.0
194.97148	0.6
195.08012	1.0
203.08556	0.6
203.15521	0.8
204.13829	2.6
205.10187	1.0
206.09697	1.5
208.11206	3.3
214.12166	3.6
220.11153	4.5
221.09753	1.4
222.12770	7.0
223.07523	2.3
224.10773	1.0
228.10207	1.3
231.14981	1.9
232.13329	3.2
232.15700	1.6
233.16437	4.8
236.10687	4.7
238.12260	2.4
243.14978	1.2
247.14384	0.9
248.10747	4.2
259.14429	12.6
265.08759	1.7
265.13409	2.7
266.11780	2.0
266.14221	2.6
267.14926	7.7
270.11163	2.9
275.13980	2.1
276.10208	1.5
277.13361	1.3
282.11270	3.9
293.12851	15.8
295.16580	4.2
299.13977	0.8
300.61691	0.7
309.12308	2.1
321.14594	1.2
322.39880	0.6
329.14929	4.0
333.19720	1.2
355.12799	2.1
359.23187	1.0
359.73477	1.0
378.21783	1.4
383.19595	3.2
395.19696	1.8
406.21259	6.1
407.29480	0.7
412.22162	0.7
417.18134	2.7
424.22791	0.7
429.18164	1.4
440.21747	2.6
456.62415	0.7
457.17615	1.2
458.14236	1.2
458.20447	1.2
468.21280	14.1
474.20474	3.2
502.19736	15.8
542.26465	0.9
559.29169	2.7
569.27380	1.9
570.25958	16.4
587.28851	6.9
587.36346	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	586.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02403	0.4
56.28207	0.3
57.07075	4.1
65.03955	0.3
67.05498	0.8
69.03423	0.4
71.33938	0.9
74.02450	1.6
79.05492	1.2
81.03442	0.5
81.07062	1.1
83.52681	0.4
85.06533	2.8
91.05482	13.4
93.07066	1.8
95.04968	1.7
95.08582	0.4
103.05470	6.5
105.03393	1.1
105.07026	1.4
106.06548	0.5
107.04966	3.1
108.04512	0.5
115.05446	1.0
117.05757	0.9
118.06544	4.6
119.04951	7.2
119.07337	0.8
119.08599	0.5
120.08107	100.0
121.06492	0.6
123.04433	2.1
128.04948	6.6
129.06976	0.5
130.06531	1.3
131.04907	0.9
134.06001	1.1
136.07579	27.6
141.06984	0.7
144.04463	1.9
146.06010	65.3
147.04396	0.9
155.08571	0.5
157.06541	0.4
162.05507	12.0
164.07120	0.5
165.05492	3.9
165.06923	0.8
166.07820	0.5
167.08597	1.3
169.10101	3.1
175.08665	1.5
179.08563	1.9
181.10164	0.6
182.08157	4.3
182.09613	0.8
187.08716	0.5
191.08279	1.0
191.21156	0.4
194.42310	0.4
195.08093	0.8
196.11176	1.1
197.09631	1.6
201.26991	0.4
206.09642	0.9
208.11237	2.7
220.11215	2.3
223.07498	1.4
224.10715	1.0
228.10225	1.8
230.11816	0.8
232.13326	2.0
236.10706	1.5
237.13911	0.5
238.12289	1.1
248.10733	3.9
258.11206	5.7
264.10217	1.3
265.08514	0.6
265.13354	2.0
270.11249	15.3
281.12915	2.9
282.11310	1.1
293.12769	0.6
309.12341	42.2
329.14896	1.9
337.11804	1.4
339.13345	1.1
349.19202	0.9
355.12878	26.9
377.18692	3.4
405.18039	4.9
415.71054	0.4
417.18106	9.6
439.18503	0.7
558.25677	1.0
565.88763	0.4
586.25214	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	585.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68894	9.2
53.76217	7.6
55.05493	17.0
57.07066	7.6
58.09206	7.6
67.05489	39.4
69.07049	31.2
71.04989	9.1
71.60364	10.0
77.66131	7.2
79.05489	26.9
79.87503	8.0
81.07062	67.9
83.08603	18.0
90.86298	7.9
91.05482	54.7
93.07042	66.3
95.04949	28.6
95.08585	51.2
97.06476	12.4
105.07021	65.0
107.08580	68.5
109.06536	17.4
109.10136	50.7
117.07042	16.8
119.08573	82.9
121.06491	8.8
121.10162	100.0
123.08064	12.2
123.11672	16.8
128.06235	13.4
129.06982	10.3
131.08551	36.3
133.10153	70.3
135.08035	22.4
135.11674	39.0
137.09625	16.8
142.07796	12.0
143.08566	23.3
144.09268	8.9
145.10117	72.9
147.11664	33.6
149.13306	9.5
151.11169	8.3
157.10139	51.8
159.11658	37.7
161.09589	11.1
161.13251	13.3
163.11151	13.4
163.14975	8.8
168.09247	9.7
169.10167	26.8
171.11716	29.2
173.13240	48.8
175.11308	8.8
175.14813	35.8
179.08514	9.9
183.11673	21.3
185.13242	18.9
187.14879	21.9
189.12843	9.6
194.10684	10.1
195.11649	16.2
197.13304	11.6
199.14769	15.3
207.11673	10.4
209.13316	13.7
211.14828	12.7
213.12799	10.1
213.16486	10.9
223.14697	9.6
225.16374	10.3
257.18948	24.6
262.64792	7.8
283.20288	11.0
511.78720	10.9
549.40338	10.0
567.42377	10.2
585.42242	28.9
593.02991	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	586.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
57.07073	2.7
57.51347	0.2
64.22527	0.2
67.05478	0.3
69.95497	0.6
69.95913	0.3
74.02425	0.3
77.03911	0.2
79.05479	0.3
81.07027	0.3
85.06543	0.8
91.05472	3.2
93.07043	2.5
94.77351	0.2
95.04951	1.1
95.08547	0.2
103.05462	9.1
105.03386	5.9
105.07019	0.4
115.05450	0.5
118.06543	1.1
118.55622	0.2
119.07337	0.4
120.08102	100.0
121.06539	0.3
121.08444	0.5
127.93980	0.2
130.06517	0.6
131.04935	0.4
132.08057	0.2
134.06020	1.2
141.06868	0.2
141.75311	0.2
144.08020	0.2
146.06015	0.4
147.06818	0.3
165.07045	0.7
167.08557	2.8
178.07715	1.9
179.08557	0.4
181.10172	0.3
186.12627	0.3
191.08530	1.0
193.10135	2.3
195.08080	1.2
202.07857	0.3
203.08589	0.8
204.13879	0.3
207.08037	1.2
208.08914	0.6
208.11238	1.2
209.09657	1.0
212.10793	0.6
218.09613	0.2
219.08063	1.5
220.11104	0.3
221.09613	1.6
223.07539	2.6
224.10718	2.0
225.11475	3.5
226.12132	0.2
231.14984	0.7
232.13367	0.5
235.09940	0.3
236.10698	5.0
237.09169	0.3
237.11510	0.3
238.12247	3.9
240.10188	1.6
246.09204	0.7
247.07591	0.6
249.08908	0.2
251.11719	0.3
252.12604	0.5
253.13350	11.1
254.11748	3.3
255.15009	0.6
262.08893	0.2
263.11798	0.4
264.10229	2.0
265.08630	0.8
282.11246	9.3
299.13892	30.1
309.12357	1.8
310.10727	0.9
335.24142	0.2
347.17648	0.6
348.16028	0.2
349.18912	0.3
355.18036	0.6
365.18509	1.1
366.27594	0.2
383.19656	0.5
393.18109	6.6
395.19922	0.2
400.20236	1.1
411.19199	4.3
428.19919	0.5
429.18088	0.5
434.18594	0.3
439.18661	3.4
440.15027	0.5
446.20770	10.3
447.21219	0.3
457.17477	0.4
495.20062	0.5
506.41177	0.2
512.25403	1.4
525.85114	0.2
530.26636	1.6
540.24939	36.0
541.25256	0.8
542.26807	1.3
558.25977	22.9
559.26141	0.4
568.24408	3.1
586.25214	5.0
587.26556	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99786	4.1
55.05509	7.2
57.07071	6.0
58.63218	4.0
59.05006	4.9
67.05502	16.8
69.07055	7.7
69.34714	41.4
79.05489	16.5
81.07061	32.2
83.04973	7.0
83.08621	5.9
91.05474	27.4
93.07032	27.7
95.04969	11.8
95.08620	27.3
98.20732	8.1
103.36002	4.2
105.07027	37.8
107.08584	26.4
109.06581	4.3
109.10170	23.2
117.07060	6.9
119.08591	42.1
121.06538	4.2
121.10139	35.6
123.08048	12.5
129.07047	6.6
131.08571	20.2
132.52745	3.9
133.10117	22.7
135.08081	7.7
135.11737	13.6
137.09616	7.1
141.07008	4.3
142.07770	9.2
143.08588	13.5
145.10141	26.5
147.08043	14.6
147.11691	9.5
149.09688	5.8
151.07545	11.2
155.08577	8.2
156.09332	9.4
157.10132	27.0
159.08133	8.9
159.11708	9.3
161.09651	6.8
161.13249	5.6
165.09160	25.2
167.08575	7.8
169.10133	9.5
171.11708	15.4
173.13326	10.8
175.11163	5.6
179.08501	8.6
181.10150	6.6
183.11664	14.9
185.13287	14.4
187.14827	5.7
189.12700	8.3
193.10017	7.8
195.11702	10.6
197.13232	9.8
203.14270	12.4
207.11797	5.7
207.13812	6.4
209.13255	10.1
211.14772	7.1
220.12257	4.5
221.13423	9.2
221.15404	31.4
223.14871	5.5
237.16214	4.9
249.16469	4.5
255.20882	4.5
261.15994	4.7
262.62469	4.1
283.20764	6.3
403.30048	7.6
404.11542	4.6
455.12091	4.8
565.40710	25.9
569.96735	4.2
583.41412	100.0
584.41559	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	10.3
57.07052	12.2
63.48923	6.5
65.69133	5.0
67.05503	17.5
69.03423	9.0
70.85953	16.5
79.05482	11.9
81.07035	18.5
83.04955	8.4
91.05473	18.7
93.07035	39.2
95.04900	6.3
95.08579	21.4
105.07030	38.3
107.08572	16.8
109.10134	16.6
116.06110	6.5
117.06953	7.1
119.08575	41.8
121.10146	33.1
123.08030	10.7
129.06963	6.7
131.08575	15.8
133.10129	30.7
135.08028	7.4
135.11656	19.3
137.09625	16.6
142.07761	11.4
143.08574	11.8
145.10107	31.0
147.08029	16.0
147.11700	13.9
155.08569	8.0
156.09334	5.7
157.10104	21.1
159.11661	20.2
165.09106	25.9
169.10164	9.8
171.11636	13.4
173.13280	11.4
175.14813	10.1
181.12288	11.9
183.11729	9.5
185.13425	5.9
195.11731	12.4
195.14009	6.1
197.13278	10.4
203.14275	18.3
209.13298	12.2
219.11710	6.1
221.15366	100.0
223.14876	6.1
321.33026	6.0
352.68195	6.6
382.12750	6.5
431.83972	6.1
473.34256	9.2
491.35114	12.6
503.35126	8.0
565.39941	7.0
583.41235	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74907	5.8
55.05502	14.0
57.07066	16.2
59.04982	7.0
62.65036	6.3
64.02156	5.4
67.05491	24.3
67.23885	5.8
69.03413	7.0
69.07058	20.4
69.77530	40.4
79.05492	21.1
81.07063	43.1
81.63125	4.8
81.93376	5.6
83.08601	6.9
86.09727	9.1
91.05504	34.3
93.07044	60.9
95.04980	15.2
95.08608	37.8
97.06530	5.6
105.07018	70.4
107.08580	43.8
109.06531	11.8
109.10143	27.9
117.07019	15.1
119.08569	83.1
120.79771	5.4
121.10148	51.1
123.08073	15.0
123.11701	7.7
125.05975	7.0
128.06235	12.9
129.07013	12.5
130.07826	8.4
131.08543	28.5
133.10117	40.3
135.11682	17.6
137.09639	12.6
139.91786	5.6
142.07811	10.3
143.08562	25.8
143.81427	5.5
145.10103	48.3
147.08046	13.6
147.11688	16.1
149.09590	8.5
151.07529	13.1
155.08571	14.0
156.09361	12.0
157.10112	37.2
159.11693	22.0
161.13213	10.3
163.11156	6.3
165.09163	19.6
167.08537	7.3
167.10649	40.9
169.10054	12.5
170.10896	5.8
171.11630	32.6
173.13278	16.0
175.14821	18.5
179.08498	11.0
181.10092	11.4
183.11679	24.5
184.07393	30.3
185.13260	18.2
187.14835	15.9
193.10135	11.2
194.10884	7.2
195.11719	17.8
197.13274	20.4
199.14822	9.3
203.14339	18.6
207.11710	8.2
209.13298	17.4
211.14882	8.3
221.13200	18.1
221.15381	39.1
223.14824	17.9
226.17204	6.8
233.13226	7.1
233.15364	10.2
235.14769	10.0
237.16365	6.7
247.14836	9.3
249.16370	6.2
265.19656	6.3
283.20654	7.6
287.17676	6.5
315.45416	5.8
375.27142	7.3
403.29654	6.4
491.34698	6.1
497.80374	6.5
565.39777	26.3
583.34094	7.0
583.41577	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	583.4147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	14.9
57.07068	15.8
57.13723	7.2
67.05514	37.4
69.03440	7.4
69.07057	19.8
69.95394	24.8
69.95808	11.6
79.05482	19.5
81.07069	47.0
81.90197	6.1
83.05003	11.9
83.08607	9.8
91.05485	54.9
93.07040	44.1
95.04961	9.8
95.08620	34.3
105.07051	74.3
107.05006	6.7
107.08600	49.2
109.06505	10.3
109.10155	27.7
117.07043	18.5
119.08580	98.8
121.10143	62.8
123.08083	11.2
128.06233	9.1
129.07011	10.1
131.08620	33.6
133.10123	50.8
135.08064	12.4
135.11671	24.6
137.09595	14.7
141.07031	9.2
142.07825	14.1
143.08589	38.2
145.10126	62.9
147.07977	8.4
147.11678	21.8
151.07539	17.4
155.08533	20.0
156.09334	19.3
157.10139	44.6
158.10902	12.1
159.08073	12.1
159.11691	31.4
161.13254	8.2
165.09122	17.4
167.08620	9.9
167.10689	12.4
169.10130	26.4
170.10893	16.4
171.11682	35.4
173.13306	24.4
175.14854	15.3
179.08614	16.7
181.10107	19.7
181.12238	12.1
183.11702	35.2
184.12459	9.1
185.13281	20.7
187.14893	9.4
193.10133	12.8
194.10951	7.5
195.11674	21.3
196.12578	7.0
197.13254	25.1
199.14894	19.6
203.14372	8.4
207.11679	21.5
209.13277	25.9
211.14816	8.7
211.30757	7.1
217.15955	11.1
219.11743	7.6
221.13481	11.6
221.15256	42.1
223.14787	13.8
233.13281	9.3
233.15366	9.6
235.14894	8.7
239.17891	9.0
265.19608	10.5
267.35257	7.6
269.19000	10.6
275.17935	12.8
283.20648	10.8
333.39395	7.0
404.25970	7.7
409.74783	7.4
410.74863	7.2
411.51019	8.4
491.34949	11.7
565.40320	7.8
583.41614	100.0
584.41803	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	583.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.05499	17.2
57.07078	5.3
67.05492	16.7
69.03423	5.4
69.07063	18.5
71.20547	6.9
77.56924	3.5
78.04296	4.1
79.05489	22.5
81.07058	27.2
83.04964	7.2
83.08597	7.2
91.05479	28.2
93.07038	39.2
95.04958	14.1
95.08597	28.7
97.06513	5.6
105.06403	4.0
105.07026	43.1
105.97250	4.5
107.04964	5.2
107.08594	40.9
109.06501	8.9
109.10168	24.3
117.06985	14.9
119.08584	55.0
121.06483	4.1
121.10134	40.7
123.08063	15.5
125.09561	4.6
127.33518	3.6
128.06204	8.9
129.06985	12.6
130.07779	6.5
130.85098	3.4
131.08537	17.4
133.10150	31.4
135.08063	6.9
135.11690	15.4
137.09592	11.3
141.06987	6.1
142.07744	10.0
143.08539	21.2
145.10121	38.7
147.08012	12.4
147.11693	17.7
149.09624	5.2
151.07552	10.4
155.08548	16.1
156.09357	10.2
157.10138	32.2
158.10832	5.0
159.07999	6.8
159.11725	21.2
161.13287	8.4
163.11156	4.8
165.09123	17.4
167.08562	7.2
167.10670	11.5
168.09325	4.1
169.10167	22.8
171.11720	21.1
173.09479	4.1
173.13226	14.8
175.11089	4.2
175.14830	11.5
179.08575	8.5
181.10103	10.2
181.12103	6.3
182.10846	6.5
183.11713	17.4
185.13283	12.9
187.14790	7.5
189.12704	8.0
193.10197	7.5
194.10909	9.9
195.11656	9.1
196.12572	3.7
197.13225	12.6
199.14839	12.3
203.14407	5.6
207.11740	7.8
209.13243	13.6
209.15125	3.9
211.14865	6.4
217.15906	6.2
219.11736	5.1
221.13263	12.3
221.15382	28.0
223.14813	8.6
225.16397	6.2
233.13234	6.2
233.15355	8.7
234.13892	4.4
235.14830	5.9
236.15575	4.8
237.16374	6.8
245.13210	5.6
247.14751	7.3
247.43855	4.1
251.17889	5.8
253.19582	4.1
253.46791	4.2
259.14798	4.9
261.16251	5.0
265.19458	6.8
270.19354	3.7
273.16199	5.0
275.17853	4.9
283.20746	6.1
314.13739	4.2
349.25082	4.6
356.10287	4.0
467.34467	4.3
565.40540	26.8
583.41516	100.0
584.41547	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	583.4145
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84254	0.8
53.03942	3.5
55.01865	1.6
55.05511	13.2
57.07076	6.9
59.04989	3.0
65.03945	2.2
67.05163	1.6
67.05502	19.9
69.03430	6.1
69.06712	1.5
69.07068	16.6
69.28000	9.6
71.04981	1.0
78.42171	0.8
79.05489	20.8
81.07057	27.9
83.04977	7.2
83.08603	7.4
85.06530	4.6
91.05480	37.5
93.07045	45.7
95.04967	12.6
95.08612	27.7
95.09235	1.0
97.06541	6.3
97.10186	1.9
103.05463	2.6
105.04507	1.3
105.07031	59.6
107.04961	1.3
107.08596	41.8
109.06522	9.2
109.10159	18.3
111.08065	1.8
111.23384	0.9
113.09628	0.9
115.05483	3.6
116.06264	2.0
117.07031	11.2
118.07820	1.4
118.93380	0.9
119.08580	66.6
120.08877	1.5
121.06527	3.4
121.10143	42.4
123.08071	14.3
123.11728	5.6
125.05994	2.2
125.09619	3.7
128.06206	9.2
129.07010	14.9
130.07796	6.7
131.08566	29.3
133.06496	3.2
133.07478	0.9
133.10133	33.7
134.10477	1.1
135.08060	5.6
135.11697	14.0
137.09616	10.6
139.11182	2.5
141.06989	6.7
142.07779	19.1
143.08563	30.1
144.09335	6.3
145.06494	1.2
145.10124	46.2
146.10521	1.1
147.08058	9.2
147.11697	12.9
149.09647	7.7
149.13243	3.0
151.07562	13.1
151.11197	1.6
152.06192	1.0
153.07014	3.9
154.07759	2.8
155.08553	13.5
155.10677	2.4
156.09354	15.7
157.10129	43.3
158.10909	6.8
159.08054	5.5
159.11703	22.5
160.12263	1.5
161.09630	5.1
161.13258	7.4
163.11200	7.9
165.06999	5.8
165.09109	14.6
166.07820	1.9
167.08601	9.0
167.10667	23.2
168.09335	6.7
169.10138	24.5
170.10931	8.7
171.08069	1.5
171.11688	25.4
172.12312	1.8
173.09634	3.6
173.13264	20.7
173.14674	1.5
174.13625	0.9
175.11238	3.0
175.14839	8.1
177.09093	1.3
177.12834	1.3
178.07828	1.3
179.08568	12.8
179.14313	0.9
180.09306	5.3
181.10143	14.3
181.12216	3.7
182.10890	8.6
183.11699	22.1
184.12451	4.4
185.09622	0.9
185.13258	14.1
186.14056	1.1
187.11191	2.7
187.14838	6.3
189.06995	1.2
189.12766	6.7
191.08563	1.6
191.14285	6.5
192.09387	4.5
193.10135	12.9
194.10892	8.7
195.11684	19.3
195.13440	1.6
196.12480	5.0
197.09587	1.4
197.13255	18.8
198.13982	1.9
199.11139	1.6
199.14822	12.5
201.12784	2.4
201.16408	3.0
202.07748	1.2
203.08630	1.8
203.14299	7.2
205.10150	4.2
205.15985	1.5
206.10913	5.9
207.11725	17.0
207.13823	7.9
208.12451	5.9
209.09871	0.9
209.13278	22.9
209.15305	2.0
210.13965	3.7
211.11180	1.5
211.14812	11.7
213.12776	1.2
213.16440	4.3
215.08698	0.9
215.14357	3.8
217.10162	2.2
217.15875	6.7
218.10934	3.0
219.11708	7.0
219.17476	1.1
220.12521	5.1
221.13272	11.0
221.15419	24.0
222.14018	4.6
223.11189	1.1
223.14740	10.4
224.15594	1.6
225.12752	1.3
225.16359	5.9
227.14339	2.8
227.18057	1.7
229.10170	1.8
229.15994	2.3
230.10875	1.8
231.11658	5.7
231.17352	2.1
232.12476	3.5
233.13254	9.4
233.15425	9.3
234.14044	2.9
235.14810	11.0
235.16934	1.4
236.15558	2.3
237.12630	1.5
237.16403	6.6
238.17273	1.4
239.14294	1.4
239.17982	3.7
241.15971	1.4
243.11774	1.8
243.17462	2.1
244.12558	2.5
245.13199	6.0
246.13959	3.9
247.14778	7.8
247.16975	1.4
248.15656	3.0
249.16362	6.7
250.16873	1.6
251.18018	6.7
253.15883	1.7
253.19539	2.0
255.17467	2.4
257.13321	2.2
257.19070	5.3
258.14075	2.5
259.14853	6.1
260.15628	3.6
261.16351	6.9
262.17126	1.9
263.18045	6.0
264.18454	1.2
265.15805	1.1
265.19537	6.3
267.17386	1.9
269.18991	5.3
270.14090	1.2
271.14731	1.9
271.20547	2.1
272.15561	1.6
273.16364	3.9
274.16977	1.9
275.17892	7.0
277.16299	1.1
277.19519	5.0
279.17728	1.7
279.21155	2.0
281.19083	2.8
283.20544	11.0
285.16159	2.0
285.18866	1.8
287.17740	2.2
287.20422	1.5
289.19537	3.8
291.21072	1.8
293.19092	3.1
293.22824	0.9
295.20630	3.1
297.21808	1.7
299.17627	1.5
299.20554	1.2
300.20819	1.8
301.19363	1.7
303.20969	1.6
305.19263	1.5
305.22662	1.3
307.20651	2.2
309.22141	2.2
311.20453	0.9
313.19571	1.0
315.20944	1.3
317.22726	2.2
319.20508	1.3
319.24207	1.1
321.22168	1.5
327.21112	0.9
331.20624	1.2
331.24307	3.5
333.22287	1.6
335.23715	2.1
337.25446	1.3
347.23831	2.5
349.25174	4.4
355.24057	1.0
357.25757	1.3
361.25308	2.4
363.27307	1.2
365.24713	1.3
375.26767	2.4
378.22803	0.9
385.29037	1.2
403.29935	3.8
415.30194	1.2
427.30157	1.9
491.35132	3.2
503.35300	1.6
509.34061	1.5
547.39240	2.9
565.40485	20.3
583.41473	100.0
584.41980	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	583.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79581	1.3
53.03941	5.2
55.01880	4.3
55.05512	19.2
57.03437	8.8
59.04989	3.8
65.03936	3.8
67.05505	71.9
69.03427	15.0
69.07079	7.7
70.71944	4.3
71.04979	7.8
73.02923	2.2
79.05492	18.6
81.03418	71.0
81.07055	24.4
83.04977	15.5
83.08618	17.6
85.02903	17.0
85.06536	3.7
91.05481	20.9
93.07038	15.8
95.04965	20.1
95.08597	8.9
97.02888	10.8
97.06518	3.3
97.10173	9.2
98.21554	1.5
99.04471	4.4
99.08080	1.4
105.07019	15.4
105.07568	1.3
107.04977	6.3
107.08577	7.9
109.02878	13.7
109.06519	3.6
109.10155	51.7
111.04436	12.0
111.08080	7.5
117.07041	2.2
119.08581	14.7
121.06487	2.7
121.10181	6.4
123.04439	3.0
123.08072	1.6
125.09665	9.0
127.03916	10.4
128.06235	1.9
129.05493	3.4
129.06998	7.6
131.08620	5.8
133.06473	3.2
133.10165	6.0
135.08080	3.3
135.11729	1.8
137.09669	4.1
141.86818	1.8
142.07776	1.9
145.10121	2.3
147.04425	1.8
147.08073	2.7
147.11722	10.1
149.06039	2.4
149.09660	4.1
153.05386	1.4
153.12788	2.2
155.10695	1.8
157.06563	1.7
157.10150	7.5
159.08089	1.7
159.11624	1.7
163.11223	3.1
165.12773	2.7
167.07069	1.7
173.11739	15.1
175.11163	9.0
185.13199	2.1
189.11261	4.4
189.12785	1.9
191.10701	1.8
193.12225	20.6
193.13823	1.5
211.13301	36.6
227.12833	4.1
229.14360	19.4
235.13394	2.6
259.13550	1.5
263.13156	1.6
267.15906	11.1
271.48737	1.6
273.14908	2.3
277.14417	1.7
281.14047	1.9
285.16962	2.7
299.14764	10.7
301.14563	3.9
309.16833	2.5
319.15356	2.1
337.16495	2.6
348.93768	1.4
355.17764	9.6
373.18857	3.9
375.18073	2.2
393.18884	2.2
403.24887	3.6
411.20395	2.2
421.25781	9.8
439.26874	14.3
455.42062	1.8
463.27081	3.0
491.25177	1.5
505.27802	3.5
529.28174	3.4
547.29083	2.9
565.30121	11.7
583.31219	100.0
584.30792	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	583.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.0
53.99998	2.6
55.01873	5.6
55.05512	28.4
57.03433	8.1
59.04993	4.6
65.03957	2.4
67.05505	77.9
69.03422	17.3
69.07062	10.5
70.10202	4.4
70.10613	10.1
71.04983	5.5
79.05494	25.7
81.03419	86.1
81.07058	31.6
83.04985	17.7
83.08618	21.1
85.02908	20.2
85.06573	2.8
91.05480	28.5
93.07047	20.1
95.04987	22.4
95.08605	11.5
97.02868	12.0
97.06557	4.6
97.10185	13.9
98.20753	2.9
105.07030	18.0
107.04975	6.8
107.08597	10.2
109.02856	12.7
109.06511	7.7
109.10157	50.5
111.04478	13.4
111.08074	9.0
117.07023	6.4
119.08590	25.3
121.10126	10.1
123.04442	2.9
125.09629	12.5
127.03904	9.3
129.07083	5.9
131.08586	11.2
133.10136	13.6
135.11772	3.3
137.09630	3.6
145.10104	5.7
147.08107	2.7
147.11699	11.4
149.09634	4.8
155.10626	2.7
157.10152	7.5
161.09657	2.9
165.12805	5.3
171.11752	3.9
173.11807	13.4
175.11203	7.8
185.09706	2.8
189.11253	4.1
193.12259	24.7
211.13293	37.3
227.12813	6.7
229.14340	16.6
267.15948	10.2
273.14899	2.8
277.14487	3.4
295.87027	2.4
299.14899	10.7
301.14404	4.6
355.17532	10.2
373.18484	4.7
421.25934	10.7
439.26941	18.0
505.28055	5.0
565.29956	15.4
583.31116	100.0
583.39001	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	582.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	5.3
57.27969	2.7
67.05499	11.6
69.03424	4.5
69.07066	9.6
70.72490	9.2
77.12160	3.3
79.05507	16.9
81.07064	17.1
91.05480	26.9
93.07057	18.6
95.04970	39.7
95.08607	11.1
104.83601	3.0
105.07030	45.8
107.08598	27.8
109.06516	9.2
109.10134	8.5
115.05439	4.9
117.07013	18.8
117.26795	3.0
119.05054	2.7
119.08573	50.2
121.06497	6.0
121.10165	23.7
123.08068	9.4
123.11693	4.0
128.06210	13.0
129.07010	14.2
130.07793	4.4
130.71898	2.6
131.08568	33.7
132.09395	3.5
133.10149	20.9
135.08035	11.6
135.11690	5.6
140.27985	3.0
141.06972	7.7
142.07782	11.8
143.08569	53.8
144.09314	4.6
145.06477	3.4
145.10124	41.8
147.08089	6.2
147.11702	11.5
149.09633	5.5
149.30827	2.9
153.07031	3.7
155.08586	14.5
156.09331	11.5
157.06514	3.4
157.10141	36.2
158.07368	3.5
158.10921	8.7
159.08076	9.2
159.11661	14.6
161.09648	11.6
165.07054	5.0
166.07787	6.8
167.08565	9.6
167.10712	8.4
168.09303	4.8
169.10135	24.6
170.10933	6.0
171.11647	21.6
172.08835	4.0
173.09642	12.0
173.13261	11.6
175.11203	5.1
179.08583	12.4
180.09306	5.8
181.10179	18.1
182.10916	9.6
183.11699	24.1
185.09586	8.4
185.13275	12.3
187.11191	5.7
187.14864	5.8
188.11984	4.0
191.14351	7.5
192.09344	4.1
193.10144	13.4
194.10992	9.0
195.11731	24.4
196.12410	4.9
197.09630	6.6
197.13229	19.3
198.14061	5.1
199.11169	10.7
199.14775	4.9
200.11948	3.9
205.10172	3.6
206.10843	4.9
207.11667	16.9
208.12511	3.5
209.13245	15.4
210.10413	3.4
210.14037	6.2
211.11215	9.0
211.14774	9.3
213.12730	7.3
213.16260	5.2
215.14363	5.5
217.10210	4.9
217.15962	3.5
218.11000	4.2
219.11752	5.6
221.13280	12.4
223.11232	5.7
223.14801	13.0
225.12679	4.7
227.14310	13.5
231.11792	6.8
233.13232	6.9
235.14838	6.4
237.12769	3.4
239.17999	5.4
241.15738	3.0
245.13278	5.0
246.14088	3.4
247.14700	6.6
249.16449	3.7
253.15953	7.2
255.17447	3.3
259.14740	4.0
261.16257	4.2
271.16989	4.1
273.15906	3.6
273.18564	47.3
277.19324	3.8
286.19336	3.8
289.15762	5.4
291.17493	6.1
291.20850	4.1
299.20105	24.0
315.20883	3.5
319.20587	7.2
325.21616	4.2
325.66281	3.4
333.22247	4.0
337.21683	19.1
351.23001	7.8
352.23996	100.0
353.24652	6.8
363.23062	4.2
365.24759	7.2
376.23483	3.8
401.28659	3.6
428.69357	3.2
434.27768	4.0
444.30258	34.3
445.31216	5.9
472.33527	3.5
490.34622	15.8
547.32758	3.5
564.38800	5.5
582.40619	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	581.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
55.05513	9.2
57.07079	4.0
67.05508	19.5
69.03417	6.0
69.07065	11.4
69.42030	24.4
79.05495	17.0
81.07061	22.5
83.04980	2.9
83.08613	3.2
85.85831	2.3
91.05479	22.8
93.07048	34.2
95.04976	10.3
95.08604	22.5
97.06522	5.4
97.10185	4.0
98.21453	4.0
103.05471	3.1
105.07026	35.6
107.08593	27.6
109.06552	7.0
109.10170	13.9
111.08061	3.7
117.07043	7.1
119.08579	32.8
121.06459	4.3
121.10146	50.5
123.08042	8.3
123.11723	8.2
128.06181	6.3
129.07001	8.7
130.07753	3.5
131.08565	19.2
133.10136	66.5
133.11087	4.6
135.08054	11.0
135.11697	14.6
137.09607	4.0
141.59297	2.4
142.07773	9.7
143.08566	19.0
144.09331	3.8
145.06650	2.9
145.10135	27.5
147.08063	7.8
147.11693	14.7
149.09587	16.0
151.07549	7.1
155.08591	8.2
155.10605	2.8
156.09335	6.0
157.10115	25.6
158.10895	3.5
159.08025	5.0
159.11638	13.2
161.09657	6.2
161.13208	6.2
163.11273	3.6
165.09091	15.0
167.08566	4.2
167.10672	43.1
169.10104	11.9
170.10860	3.2
171.11681	18.3
173.09630	6.2
173.13278	18.7
175.11340	3.5
175.14844	8.2
179.08611	6.8
180.09351	2.9
181.10175	6.9
181.12297	5.2
182.10918	3.8
183.11737	11.0
185.13248	10.8
187.11230	4.3
187.14856	11.4
189.12770	7.0
193.10181	6.5
194.10857	4.6
195.11710	11.4
196.12515	5.2
197.13286	11.4
199.14842	10.2
201.16339	3.5
203.14317	6.1
206.10942	3.0
207.11766	7.4
207.13763	3.9
208.12622	3.4
209.13292	10.2
211.11198	2.6
211.14885	8.2
213.12686	4.0
215.14297	6.3
219.11763	4.1
221.13338	4.3
221.15300	25.3
223.14819	8.8
225.12643	3.4
225.16353	3.3
233.13283	5.2
233.15404	17.1
235.14832	3.1
237.16533	4.5
239.14330	3.9
239.18159	2.8
245.13367	4.9
247.14862	4.4
249.16457	4.0
250.41017	2.4
251.17867	3.8
253.19714	3.2
257.13388	3.6
259.14908	3.3
261.16336	3.3
265.19449	3.0
269.19208	3.8
271.14624	3.1
275.17889	4.1
293.19183	3.3
331.24240	3.2
359.23837	3.9
373.25333	4.5
393.24414	4.1
401.28595	4.2
407.29593	6.1
545.37500	3.7
553.40222	3.8
563.38562	20.1
581.39905	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	581.3992
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	1.5
53.03944	3.3
55.01860	2.1
55.05509	9.2
57.03442	1.8
57.07075	3.6
59.04990	1.5
65.03931	2.0
65.94413	1.4
67.05507	16.6
69.03421	6.7
69.07075	9.8
71.59277	1.9
74.31253	1.5
76.95542	1.5
77.29874	1.3
79.05499	17.0
81.03414	3.3
81.07058	24.8
83.04973	5.4
83.08627	4.5
91.05491	22.1
93.07046	33.2
95.04967	12.0
95.08591	19.9
97.06529	5.6
103.05498	3.1
105.07028	36.6
105.07681	2.6
107.04940	2.5
107.08598	28.5
109.06528	7.2
109.10155	13.8
111.08073	2.4
112.58611	1.2
114.56600	1.3
115.05428	1.9
116.06182	1.5
117.07056	8.4
119.08578	40.4
121.06490	6.7
121.10149	35.1
123.08075	11.5
123.11721	6.5
125.05968	1.8
125.09673	1.6
128.06210	8.0
129.06999	7.3
130.07806	3.4
131.08575	19.9
133.06494	2.5
133.10127	32.9
135.08055	9.5
135.11702	9.6
137.09604	5.4
139.07568	1.8
139.11194	2.1
139.56236	1.5
141.07014	4.6
142.07802	10.1
143.08560	18.6
144.09340	4.6
145.06500	1.6
145.10126	29.7
147.08060	12.2
147.11713	9.9
149.09628	14.6
151.07555	10.2
153.06961	1.9
155.08560	9.1
155.10716	1.7
156.09314	9.5
157.10123	29.5
158.10901	4.8
159.08032	8.1
159.11700	14.4
161.09631	6.7
161.13268	4.9
163.11166	3.2
165.07001	4.3
165.09126	16.4
167.08536	5.7
167.10664	22.9
168.09366	4.0
169.10139	13.8
170.10905	3.9
171.08051	3.3
171.11685	17.2
173.09656	5.9
173.13307	11.9
175.11205	4.4
175.14853	4.2
177.09245	1.8
179.07158	1.8
179.08589	6.2
180.09315	2.2
181.10178	7.9
181.12267	4.5
182.10925	6.0
183.11708	12.5
184.12390	2.1
185.09517	2.2
185.13228	7.7
187.11246	3.9
187.14813	8.0
189.12735	4.3
191.14336	3.8
192.09381	2.3
193.10173	7.0
193.12082	2.2
194.10910	5.0
195.11717	10.8
195.13344	2.0
196.12411	3.1
197.09631	1.7
197.13295	10.9
199.11171	2.6
199.14795	8.1
201.12801	3.0
203.14354	7.5
205.10172	3.5
206.10933	3.6
207.11732	9.5
207.13757	4.5
208.12479	4.5
209.09648	1.7
209.13306	8.8
209.15227	2.6
211.11055	1.9
211.14894	7.3
213.12807	3.8
213.16446	3.6
215.14325	4.4
217.10133	1.8
218.11020	2.0
219.11731	3.4
220.12469	4.3
221.13248	8.7
221.15414	32.1
223.11215	2.1
223.14874	4.6
225.12741	4.3
225.16422	2.3
227.14308	4.1
231.11758	3.5
232.12384	1.9
233.13274	5.1
233.15419	11.7
234.13895	3.0
235.14749	5.0
237.12630	2.6
237.16437	3.6
239.17978	3.6
241.15714	1.7
243.11812	2.5
245.13313	3.7
246.14146	2.0
247.14857	4.5
247.17050	2.8
249.16537	2.8
251.18005	3.3
257.13184	2.3
259.14798	3.5
261.16397	5.4
263.17993	3.1
265.15695	1.6
265.19507	2.0
271.14832	3.1
273.16260	3.0
275.17938	4.0
285.16382	3.2
295.20654	1.9
303.17575	2.1
311.20215	2.2
312.20956	9.1
325.19415	1.7
335.25433	1.7
347.23453	2.2
359.23703	2.8
363.23199	1.6
373.25510	3.1
389.24759	1.8
393.24365	2.2
395.27054	1.6
425.28217	2.0
525.33801	1.9
545.38007	3.1
546.38538	2.8
563.38831	12.4
581.39893	100.0
602.13623	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	581.1498
Annotation	Isoorientin 7-O-xyloside
Peak:m/z	Relative Intensity
53.03959	3.0
55.01878	5.5
57.03440	4.2
61.02937	3.8
67.05470	3.3
68.62151	2.5
69.03439	4.6
70.06590	7.4
71.58865	3.1
71.59252	2.8
73.02918	6.5
81.03416	4.1
81.07084	3.7
84.08147	3.6
85.02915	12.2
86.09718	6.4
91.05496	4.2
95.04942	4.1
97.02922	6.6
107.04992	3.1
109.02840	4.7
111.04509	3.0
119.04970	3.7
120.08091	4.2
121.02878	52.1
121.03722	4.0
121.06469	2.7
121.49055	2.8
135.04448	8.1
137.02359	17.2
151.03966	3.2
156.71970	3.0
161.02385	3.2
163.04053	3.3
175.03970	4.4
177.01971	3.5
179.03526	3.8
181.01360	5.1
187.03879	3.6
189.01793	4.6
191.03409	5.9
195.02892	8.1
199.02307	6.0
203.03430	10.5
205.05006	4.7
207.02881	9.2
211.02371	6.5
215.03491	2.7
217.04939	2.7
219.02869	4.2
221.04417	6.8
231.03046	3.4
233.04488	4.2
241.05034	3.0
243.02896	3.5
245.04495	3.6
276.71875	3.0
283.06125	8.7
286.04745	13.9
287.05609	5.1
295.06161	10.6
297.04117	4.8
297.07404	5.7
299.05527	50.7
300.06189	9.7
307.05920	7.5
308.06924	2.8
309.07703	4.2
310.04700	10.8
311.05475	51.8
311.08835	4.7
312.06161	5.9
313.06989	13.8
321.07571	5.7
323.05536	29.4
324.06302	12.5
325.07025	29.5
329.06564	49.5
333.07568	3.5
335.05225	5.6
336.06177	8.8
337.07065	49.6
338.07922	8.6
339.08673	10.1
341.06631	35.2
349.06985	17.9
350.07748	4.0
351.08636	18.8
353.06549	68.6
355.03046	2.9
355.07910	7.1
361.07053	11.9
363.08734	7.1
365.06537	53.2
367.08072	23.8
371.07660	8.5
377.06592	24.9
379.08109	20.4
383.07693	30.7
389.06497	10.2
391.08160	7.9
395.07562	51.4
401.08636	8.9
403.08154	3.4
407.07642	40.5
409.09085	3.0
413.08685	12.8
419.09695	18.4
425.08643	65.7
431.09927	21.7
433.08969	5.3
437.08609	8.5
443.09778	100.0
449.10818	34.4
455.09561	4.1
461.10132	10.7
467.09692	5.7
473.10486	8.9
479.09808	6.3
485.10535	4.2
491.10040	8.4
497.10876	37.1
509.10843	14.5
515.12006	16.1
527.11835	59.1
545.12909	33.9
563.14404	19.4
580.33411	3.8
581.14508	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	580.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72662	4.4
53.97108	4.6
55.05498	16.0
57.03423	11.0
59.92692	4.1
67.05501	36.8
69.07051	14.1
70.89520	7.5
71.04977	4.2
79.05489	21.7
81.07053	44.1
83.08608	16.8
91.05481	12.2
93.07033	28.4
95.04953	5.9
95.08591	42.3
97.06536	4.2
97.10148	3.6
105.07020	11.0
107.04926	4.7
107.08588	21.5
109.10147	12.2
117.07004	6.9
119.08565	9.4
121.10129	9.1
135.11665	32.8
145.10110	20.3
160.36343	4.5
163.11169	33.6
166.85249	4.2
181.12273	7.7
200.71637	3.6
227.12767	61.4
283.15381	74.4
337.27347	100.0
375.61349	4.5
468.37482	8.7
530.38544	9.5
545.38281	77.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1499
Annotation	Kaempferol 3-apiosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
50.69993	0.1
51.91278	0.1
52.01501	0.1
57.03431	0.3
59.06122	0.8
60.04515	0.3
67.01867	0.4
67.05509	0.2
68.99794	0.3
69.03442	0.8
70.06593	1.8
71.04982	0.2
71.60884	0.3
73.02908	0.2
79.05489	0.2
81.03426	0.2
81.07058	0.2
83.08578	0.2
84.08142	0.2
85.02901	1.1
85.07188	0.2
85.07665	2.4
86.09708	0.4
87.04481	0.3
91.03939	0.1
91.05468	0.2
95.04973	0.2
97.02886	0.8
99.49026	0.1
100.11212	0.2
106.07313	0.1
107.04988	0.2
109.02900	0.2
109.10162	0.1
111.09215	0.9
112.04135	0.1
115.03931	0.2
117.03384	0.2
119.08623	0.1
120.08112	0.1
123.04469	0.1
127.03938	0.2
128.11844	2.7
129.01802	0.2
129.12227	0.2
133.04967	0.2
135.04417	1.4
137.02359	0.5
137.05940	0.2
141.87997	0.1
149.01126	0.1
153.01831	4.1
153.36020	0.2
161.02330	0.6
161.13162	0.1
167.07024	0.7
168.07323	0.2
171.02940	0.8
171.04211	0.1
179.03288	0.1
209.16487	0.1
210.14816	0.1
241.04951	0.4
246.65001	0.1
263.05466	0.2
269.04410	0.4
271.06070	0.2
278.24695	0.2
287.05502	100.0
288.05878	1.0
297.86380	0.1
314.26761	0.3
324.11542	0.4
332.27847	0.3
333.11896	0.3
333.28210	0.2
349.13535	0.3
380.88449	0.1
407.23596	0.1
419.09598	0.7
425.24609	0.1
449.10727	1.6
453.34027	0.4
491.29004	1.8
536.34113	0.2
537.35303	0.2
580.32892	0.8
581.22388	0.2
581.34357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01859	2.5
55.05517	4.6
56.05036	5.0
57.03429	2.9
57.07085	1.0
60.04525	96.4
60.26001	0.9
60.77359	0.9
61.02898	1.5
65.60711	0.8
67.05503	16.2
69.03427	12.5
69.07063	5.6
70.06574	3.1
71.05002	2.5
72.04537	2.3
73.02936	1.4
74.06060	4.3
79.05499	8.2
80.04998	1.3
81.03412	12.6
81.07055	18.8
82.06572	2.6
83.04968	1.3
83.08624	3.4
84.04490	1.6
85.02907	20.8
86.06062	3.4
86.09715	2.1
87.00824	6.1
91.05469	6.4
93.07042	10.5
94.06556	2.8
94.41889	1.0
95.04966	3.4
95.08607	15.5
96.08138	1.9
97.02874	6.1
97.06521	1.8
97.10162	1.8
98.06041	1.5
98.20776	1.6
99.04448	3.5
102.05569	2.2
104.07113	2.0
105.01870	3.1
105.07029	7.7
107.08585	9.2
108.08121	1.4
109.02874	9.4
109.06505	2.6
109.10143	9.2
111.08060	1.5
112.07646	1.4
117.01914	1.3
117.07023	1.0
119.08567	6.3
120.08087	1.4
121.06506	0.8
121.10140	6.4
123.08047	1.2
123.11727	3.3
127.03930	13.5
129.01865	1.6
131.08580	2.1
133.10132	3.7
135.11711	3.5
136.07617	1.6
137.05980	2.6
137.13248	1.7
145.04970	4.4
147.11708	5.3
149.13205	1.2
152.07059	1.0
154.08635	3.7
158.83977	0.9
159.02917	3.8
159.11711	1.7
161.13268	2.8
163.11218	1.0
163.14821	1.1
165.12759	0.9
167.10689	1.1
172.09708	1.8
175.14832	1.2
193.12357	1.0
203.17934	13.8
213.18460	1.7
221.18915	1.0
231.04863	1.6
260.23810	1.7
278.24756	7.6
296.25735	8.1
310.11429	2.0
314.26871	21.7
314.30298	1.7
332.27945	61.7
347.22159	1.6
365.23276	3.3
374.29083	3.2
430.27969	1.1
494.33047	1.9
498.77866	1.0
526.30255	2.0
536.34265	7.4
544.27313	1.5
562.27948	8.4
580.33258	100.0
581.33215	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	580.3327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.6
55.01869	2.2
55.05518	2.4
55.05716	0.4
56.04801	0.4
56.05041	3.2
57.03425	1.7
60.04530	4.1
61.02921	1.6
65.03936	0.6
67.05173	0.6
67.05505	8.7
68.05038	1.1
69.03432	12.2
69.07058	1.9
70.06593	5.4
71.04988	1.7
71.21900	0.7
71.22221	0.8
72.08167	0.6
73.02907	2.2
79.05503	4.8
81.03425	8.5
81.07056	8.5
82.06583	1.7
82.38685	0.5
83.04972	0.5
83.08624	1.1
84.04489	0.6
84.08150	2.4
85.02905	11.9
85.06526	0.5
86.06066	2.2
86.09705	1.8
87.00835	2.7
87.04465	0.8
91.05486	3.3
93.07049	5.3
94.06567	1.6
95.04963	0.9
95.08607	7.5
96.08140	3.9
97.02892	8.5
97.06561	0.6
99.04450	3.1
100.07592	0.5
103.03955	0.5
103.05507	0.6
105.01870	1.6
105.07043	2.8
107.08591	2.1
108.08112	0.9
109.02889	8.5
109.10167	2.3
110.09679	1.0
111.04481	0.5
112.07605	1.4
114.09177	1.3
115.03924	0.5
115.05433	0.6
117.01881	0.5
117.07017	0.7
119.08595	2.1
120.08126	1.3
121.10143	1.7
122.09650	1.1
123.04451	1.0
123.11790	0.5
124.11250	1.6
127.03927	11.1
127.04810	0.9
129.01888	0.5
130.08665	1.7
131.08572	0.9
133.06458	1.0
133.10141	1.3
135.11693	1.1
136.07596	1.4
136.11252	0.8
138.09193	0.6
140.10750	0.6
145.04971	1.8
149.06007	0.5
149.13229	0.5
159.02907	2.0
161.05952	1.1
164.34488	0.5
165.63206	0.5
167.07051	8.4
168.07391	3.8
173.05983	1.4
174.06357	1.0
181.04984	1.6
182.15451	0.8
187.06035	1.1
192.07907	0.5
193.08527	0.5
193.15758	0.5
194.71373	0.4
205.08725	0.7
208.20633	0.6
218.19182	0.5
225.10393	0.7
226.18068	0.7
231.05025	0.8
233.08342	0.6
234.22195	10.1
237.02872	0.6
248.23781	0.9
252.23271	12.3
260.20923	0.4
260.23688	2.6
266.24820	1.5
267.11325	0.6
270.24213	0.8
278.24808	23.1
278.27881	1.1
287.05505	8.4
296.25858	35.4
313.11835	2.3
314.26901	30.4
332.27963	27.0
333.28455	0.6
373.13916	3.3
374.29214	1.0
387.14264	0.5
388.14871	0.9
418.15906	0.9
449.10861	1.4
494.33496	0.9
518.33423	2.7
536.34338	19.8
562.32202	4.4
580.21692	5.1
580.33301	100.0
581.20581	1.4
581.33405	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	580.3331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
55.01855	1.4
55.05508	3.2
56.05038	3.0
57.03422	2.6
60.04519	2.7
61.02904	0.9
67.05501	6.4
68.05017	1.0
68.99786	0.6
69.03424	12.8
69.07067	2.8
70.06583	4.4
70.58804	1.7
71.04995	2.5
72.04507	0.7
72.08156	1.0
73.02912	1.6
79.05486	3.3
81.03410	9.1
81.07056	6.7
82.06580	1.5
83.04944	0.6
83.08624	1.4
84.08138	1.2
85.02899	15.9
86.06062	1.8
86.09712	1.3
87.00828	2.5
87.04456	1.2
91.03974	0.5
91.05466	2.2
91.54697	0.5
93.07029	3.7
94.06586	0.5
95.04976	0.8
95.08607	6.5
96.08141	3.1
97.02882	7.1
97.06521	0.6
97.10188	0.6
98.20930	0.6
99.04459	3.3
101.02374	0.8
102.33357	0.5
103.03932	0.7
105.01870	1.8
105.07032	1.9
107.08569	2.3
108.08123	0.6
109.02871	7.1
109.08920	0.6
109.10152	1.7
110.09624	0.7
112.07578	0.5
114.09157	1.1
115.03957	0.6
119.08582	1.1
120.08048	0.9
121.10141	1.4
127.03911	9.8
127.04801	0.8
133.10129	1.1
135.11685	1.1
136.07579	0.8
145.04956	2.1
147.11687	0.8
153.01819	0.8
159.02852	0.5
161.13277	0.7
182.15251	0.5
212.20135	0.6
226.21635	0.6
234.22215	2.2
235.46898	0.5
252.23198	9.0
260.23837	0.8
266.24869	1.4
270.24265	5.0
271.06009	14.1
271.08792	0.9
272.06329	17.5
273.06567	0.7
278.24756	12.2
280.26511	0.8
284.25775	0.6
296.25836	19.9
298.27448	0.5
309.32416	0.5
314.26877	25.1
332.27942	39.9
333.28491	0.6
356.28143	0.5
356.42026	0.5
374.29007	0.7
434.11688	2.8
494.33551	1.1
500.32556	0.5
518.33356	1.3
521.79791	0.5
536.34265	22.9
560.79114	0.5
562.32025	2.6
580.33240	100.0
581.33722	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	579.3891
Annotation	Fungicide K 99-5278C
Peak:m/z	Relative Intensity
51.13837	3.1
53.03933	6.5
55.01868	8.1
55.05506	35.4
57.03430	13.4
57.07069	5.4
65.03935	5.6
67.05503	100.0
69.03459	4.2
69.07062	32.4
70.87356	3.4
71.04988	8.1
71.60841	6.3
79.05486	66.3
81.03413	14.3
81.07050	89.9
83.04978	15.2
83.08593	21.0
85.06559	6.8
91.05476	45.4
93.07041	71.0
95.04964	17.4
95.08602	61.4
95.94698	2.9
97.06548	8.4
97.10166	16.0
99.08102	4.8
105.07014	37.5
107.04949	10.9
107.08582	53.4
109.06467	5.7
109.10149	43.2
111.04434	7.5
111.08095	5.6
111.37132	3.5
113.09656	4.1
117.07035	22.5
119.08565	37.4
121.10141	40.6
123.08063	6.8
123.11702	6.1
125.09628	10.3
129.07022	7.6
131.08578	26.5
133.10130	23.9
135.08101	5.0
135.11681	22.7
137.09657	5.1
139.11157	6.5
143.08539	10.2
145.10109	26.7
147.11696	19.1
149.09628	12.0
149.13252	10.0
155.08556	7.3
157.10152	12.5
159.11719	13.2
161.09619	4.5
161.13246	7.0
163.11180	15.0
169.10153	4.1
171.11711	8.6
173.11853	4.4
173.13281	10.0
175.11195	4.4
181.12297	8.8
183.11714	5.0
185.13284	8.1
189.11328	4.3
191.10709	4.0
193.12315	7.0
199.60968	3.5
210.60548	4.3
217.14397	4.7
227.12784	12.2
229.14340	10.0
245.13826	6.0
261.22119	10.5
265.14365	4.6
271.06055	6.8
283.15448	9.4
285.16580	4.3
301.16486	21.6
301.21710	3.9
317.24875	6.2
335.25769	23.0
371.73254	5.0
451.32593	5.5
487.33374	5.5
489.36005	9.7
525.35913	7.5
543.36786	31.1
561.37732	55.7
579.38989	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
51.02388	0.2
53.03938	0.4
55.01849	0.5
57.03418	0.4
60.13046	0.2
61.02910	0.3
65.03921	0.8
67.05497	0.2
69.03435	1.7
69.78591	0.8
69.79004	0.6
70.71360	0.3
71.04980	0.3
73.02907	0.2
78.04708	1.7
79.05482	0.9
79.53713	0.2
81.03404	0.9
81.07041	0.3
82.04177	0.3
85.02899	2.2
91.05462	0.9
93.03393	0.3
95.04966	1.0
96.05754	0.2
97.02897	1.0
97.06536	0.3
103.05454	1.3
106.04164	0.9
107.04945	1.1
109.02937	0.2
109.06512	0.3
110.03638	0.6
111.04406	0.4
115.05442	2.4
117.07027	5.4
119.08591	0.3
123.04422	4.8
124.05203	1.9
125.05962	0.7
127.05450	0.8
131.04880	0.4
133.06451	0.3
137.05966	0.4
142.02579	0.3
143.04910	0.5
145.06482	9.2
147.08020	0.6
150.02049	0.2
151.03897	0.9
152.04688	1.6
153.05411	0.5
155.06023	2.5
155.07137	0.3
161.06012	0.4
167.07033	100.0
168.07375	0.7
171.06546	1.2
173.05986	19.7
175.07550	0.8
181.04945	21.4
182.05243	0.3
189.48642	0.2
190.06377	0.3
191.06932	0.4
201.05521	0.6
205.08589	4.8
207.10191	0.2
221.08073	0.2
224.49594	0.2
233.08087	5.6
235.09651	4.5
280.07455	0.2
317.11209	0.2
355.11743	0.2
356.12454	0.2
387.14377	16.7
388.14618	0.3
394.63281	0.2
410.71771	0.2
417.15421	12.8
498.34039	0.2
511.53082	0.2
579.20703	71.8
580.21143	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	579.2074
Annotation	Podorhizol beta-D-glucoside
Peak:m/z	Relative Intensity
53.03938	0.4
55.01860	0.5
55.05494	0.3
57.03424	0.2
58.15060	0.2
61.02909	0.4
65.03934	1.0
67.05487	0.6
69.03129	0.2
69.03428	2.0
70.06592	0.2
70.08183	0.5
70.08599	0.6
73.02911	0.3
78.04709	1.6
79.05472	0.8
81.03400	0.9
81.07040	0.3
82.04196	0.3
84.08133	0.3
85.02496	0.2
85.02908	2.2
91.05462	0.6
93.03393	0.2
94.04169	0.2
95.01971	0.2
95.04974	1.2
97.02905	1.1
97.06538	0.5
99.04414	0.3
103.05461	1.0
103.49252	0.2
106.04155	1.0
107.04958	1.4
109.02857	0.3
110.03631	0.6
111.04453	0.3
115.05450	2.9
117.07022	5.7
119.08564	0.2
122.03627	0.3
123.04436	4.9
124.05212	2.3
125.05964	0.3
127.03894	0.5
127.05427	0.7
131.04929	0.3
132.05714	0.3
134.03601	0.4
137.05922	0.4
138.03079	0.3
140.04648	0.2
142.02617	0.5
143.04918	0.4
144.05698	0.2
145.06491	10.0
147.08018	0.5
147.88817	0.2
151.03972	1.1
152.04724	1.5
153.05424	0.2
154.53250	0.2
155.04858	0.3
155.06032	2.3
161.05962	0.4
164.26347	0.2
165.46603	0.2
167.07042	100.0
168.07390	0.9
171.06522	1.6
173.05991	20.0
174.06392	0.3
175.07550	0.6
181.04965	22.8
182.05219	0.3
190.06168	0.3
193.08669	0.3
201.05473	0.7
205.08597	4.5
207.10178	0.3
221.08072	0.3
233.08107	5.9
235.09666	4.4
312.25339	0.2
313.25366	0.3
330.26379	0.3
331.26605	0.4
355.11804	0.3
387.14392	15.4
388.14645	0.3
417.15491	11.4
574.69263	0.2
579.20752	61.9
580.21008	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20513	3.9
55.05516	12.1
57.03434	8.2
57.79041	3.6
67.05516	37.7
69.07068	8.9
70.65488	8.9
70.65884	6.9
71.23356	3.4
79.05491	33.4
81.07059	34.1
83.08627	5.2
83.67840	3.6
84.65678	4.1
91.05473	15.6
93.07046	39.0
95.08611	50.6
97.02895	4.2
97.10121	4.5
105.07037	8.0
107.04956	7.3
107.08584	22.7
109.10175	11.9
117.07010	11.0
118.93024	3.9
119.08559	10.8
121.10136	14.5
133.10095	4.1
135.11703	41.2
145.10136	20.6
159.11722	3.8
163.11169	45.1
180.17934	3.7
181.12210	7.1
181.80470	5.3
190.00610	4.0
209.29472	4.2
227.12755	69.5
231.02119	4.4
255.91945	4.6
261.22150	7.1
272.19135	4.0
283.15390	67.1
335.25797	100.0
383.76358	4.2
425.68900	4.4
543.36926	61.7
545.50983	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	578.3176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03908	1.2
55.01826	1.1
55.05515	2.3
55.28611	0.4
56.05016	1.2
56.96544	0.5
57.03436	2.1
57.50308	0.4
60.04516	0.5
61.02887	1.2
65.03907	1.0
67.05511	6.5
68.04990	1.5
69.03435	8.7
69.07069	2.7
69.81061	2.5
70.06608	1.9
71.01318	0.5
71.04998	2.2
72.08121	0.5
73.02870	1.5
79.05486	2.0
79.79974	0.4
80.05031	1.8
81.02992	0.5
81.03418	7.0
81.07063	3.9
82.06541	1.6
83.08584	1.1
84.08106	1.5
85.02912	11.5
86.06026	0.5
86.09676	0.6
87.00776	1.3
87.04430	0.9
91.05437	1.2
93.05752	0.5
93.07049	2.4
93.71213	0.4
94.06557	2.3
95.04921	0.8
95.08614	3.7
96.08129	1.9
97.02396	0.4
97.02901	4.0
97.06433	0.4
99.04481	2.9
103.03904	1.5
105.01836	0.7
105.07021	0.8
106.06554	0.8
107.07343	2.2
107.08577	1.8
108.08123	2.2
109.02879	5.9
109.10135	1.4
110.09672	0.6
112.07555	1.1
115.03878	0.4
116.07121	0.4
117.07004	0.5
119.08543	0.9
120.08116	1.8
121.10135	0.5
122.09682	0.8
124.11238	0.6
127.03922	8.4
129.01817	0.5
133.10069	0.5
134.09598	1.1
136.11136	0.5
137.34537	0.3
138.09119	0.9
145.04918	1.4
145.10054	0.7
147.11618	0.3
148.11259	0.4
150.12746	0.5
156.10217	1.2
159.02884	1.0
167.07011	4.2
173.05936	1.0
175.14801	0.4
181.04945	1.5
187.05968	0.9
192.17494	0.4
210.18494	0.8
224.19951	0.5
238.21654	0.9
246.22124	0.5
248.23715	0.9
250.21706	3.2
258.22244	0.8
262.21649	1.5
264.23230	2.3
266.24780	2.5
268.22729	1.2
276.20245	0.5
276.23227	10.3
294.24301	16.8
296.25845	1.0
312.25360	25.7
329.22986	0.4
330.26407	58.2
331.26907	0.7
351.19049	0.4
372.27435	1.6
402.12827	0.6
421.59995	0.4
492.32101	0.8
528.19586	0.4
534.32776	25.0
560.30634	0.9
578.31769	100.0
579.20667	2.2
579.31665	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4099
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.3
55.01876	6.0
55.05510	33.6
57.03438	12.8
57.07075	4.5
59.05006	3.0
65.03944	5.9
67.05505	82.4
69.03426	3.6
69.07071	29.1
70.69296	2.0
70.73111	4.1
70.73510	4.0
70.79890	1.8
71.04990	15.9
72.36065	1.7
79.05489	56.8
79.05959	2.9
81.03415	24.9
81.07056	100.0
83.04955	9.3
83.08616	21.6
85.06552	12.6
90.17429	2.2
91.05476	46.2
93.07047	64.6
95.04965	19.6
95.08608	60.5
97.06530	12.5
97.10181	17.5
99.08082	3.0
105.07031	58.3
107.04955	5.7
107.08594	43.1
109.06540	6.7
109.10149	26.4
111.08091	7.8
117.07021	20.4
118.06244	1.9
118.89070	1.7
119.08577	37.0
120.54966	2.1
121.06500	3.7
121.10139	35.4
123.08087	5.5
123.11728	8.4
125.09614	12.1
129.07013	13.1
130.07797	2.1
131.08569	34.1
133.10124	29.1
135.08032	4.7
135.11707	15.7
137.09634	3.3
137.13287	4.9
139.11185	4.2
141.06993	4.3
142.07768	2.7
143.08575	16.6
144.09341	2.5
145.10107	25.7
147.11676	24.1
149.09627	6.9
149.13260	8.1
151.11186	2.9
155.08569	7.2
157.10120	11.0
159.11703	21.0
161.13303	11.8
163.11185	4.7
163.14795	3.4
165.12727	3.2
169.10107	9.4
171.11661	13.2
173.09566	2.5
173.11989	2.4
173.13292	13.7
175.11226	4.8
175.14845	7.1
177.12791	3.1
181.10159	3.9
183.11719	6.6
185.13275	12.1
187.13341	2.6
187.14854	5.6
189.11298	9.6
189.16505	2.7
193.12263	7.3
195.11638	2.7
197.13307	6.3
199.13213	2.3
199.14856	7.2
201.16403	2.6
205.64049	2.4
209.13194	3.6
211.14894	4.4
213.16498	4.6
221.13237	2.3
223.14864	2.5
227.12767	15.9
239.16280	3.4
243.21198	3.3
259.20651	3.9
261.22180	9.3
267.15918	23.4
285.22308	4.0
287.20309	2.5
287.23553	2.9
289.21677	4.4
299.23956	2.8
301.20279	2.6
301.25208	12.3
303.23190	4.3
311.23151	2.1
327.23175	3.7
333.24396	3.7
335.25922	18.4
345.24216	3.3
359.25662	3.3
361.27496	2.8
363.25195	8.1
394.62552	2.1
417.31512	5.7
421.25931	2.5
435.27609	2.9
435.32498	14.9
450.14493	2.6
453.33807	17.7
471.34616	6.4
501.36462	2.8
509.36182	5.8
510.18686	2.8
527.37323	73.3
528.37299	2.8
545.38416	66.9
559.40442	13.7
577.41528	13.9
585.75018	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	9.6
53.06840	2.6
55.01879	24.8
55.05510	59.8
57.03440	16.0
57.07064	7.0
59.05017	3.1
59.45906	2.5
61.02922	4.4
65.03950	3.9
67.05505	100.0
68.11272	2.8
69.03448	8.9
69.07075	34.9
71.04994	11.4
71.08640	16.6
71.22546	7.3
71.74483	2.7
79.05496	82.7
79.05959	4.1
80.30348	2.5
81.03417	73.9
81.07057	92.6
82.07390	4.4
83.04974	32.7
83.08621	42.6
84.11983	2.8
85.02905	23.2
85.06544	6.7
91.03937	4.0
91.05477	84.4
91.06002	5.0
91.89350	3.2
93.07043	94.2
95.04971	62.9
95.05553	4.0
95.08599	46.2
97.02901	6.7
97.06548	18.9
97.10159	28.3
99.04481	4.4
99.08111	12.8
104.88807	2.7
105.07026	67.2
105.07671	4.9
107.04951	29.7
107.08591	54.8
109.06507	17.9
109.10149	24.0
111.04433	32.2
111.08087	19.7
111.53436	3.0
117.07013	28.7
119.08584	49.7
121.06499	16.5
121.10143	31.0
123.08104	11.2
123.11732	6.7
125.09652	22.8
128.06293	6.8
129.06978	24.4
131.08568	39.6
133.06499	5.9
133.10146	34.6
135.08020	14.1
135.11694	26.8
137.09637	5.6
139.11156	3.0
141.07014	4.9
142.07779	4.2
143.08548	15.9
145.06532	8.8
145.10103	33.5
147.08113	8.3
147.11696	30.6
149.09619	25.9
149.13281	6.1
151.11227	5.6
153.09158	9.6
153.12823	8.1
155.08562	5.2
157.10121	22.8
159.08034	3.9
159.11670	15.7
161.09706	6.2
161.13271	11.9
163.11189	36.8
165.12820	12.4
167.10786	3.7
169.10191	5.9
171.11736	8.0
173.09692	7.7
173.11858	5.4
173.13326	9.8
175.11151	17.1
175.14908	5.9
177.12825	5.2
181.10207	4.8
181.12271	11.5
185.13249	7.2
187.11224	6.7
187.14816	3.6
189.11223	17.3
189.12730	3.1
191.10770	8.2
191.14357	4.3
193.12250	34.7
195.13878	3.2
199.14897	4.1
205.12282	2.9
209.13412	4.3
211.13274	35.2
211.14961	3.4
217.15962	3.8
219.13980	4.6
223.13342	8.3
227.12773	17.8
229.19502	3.3
239.18173	3.4
241.19630	11.1
247.20636	3.0
257.19186	9.6
259.20532	18.2
265.14423	6.8
267.15930	33.6
273.18842	3.9
275.20087	40.3
276.20618	4.0
277.21719	4.4
283.15332	15.5
285.17096	10.3
287.05499	4.1
291.19760	5.2
293.21109	53.9
297.22092	3.3
301.16666	10.7
315.23325	8.6
331.22928	4.7
333.24390	9.8
349.23944	20.0
351.25644	4.4
357.23679	3.4
367.25015	13.7
373.23984	3.2
385.23724	3.3
387.25330	5.1
415.21326	10.4
428.46344	3.3
443.28030	3.7
447.27353	5.2
449.30551	10.6
461.29770	3.3
467.31796	16.2
479.16971	9.1
479.30252	9.6
485.32950	12.8
513.35596	4.9
523.34460	4.4
541.35181	33.0
559.36255	76.3
577.37543	99.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91033	2.4
53.03940	5.3
55.01871	7.6
55.05268	3.0
55.05512	51.1
57.03425	10.1
57.07079	5.0
65.03939	4.2
67.05507	100.0
69.03418	7.1
69.07067	27.9
70.62431	9.7
71.04996	4.1
71.08624	4.2
79.05493	57.9
79.19731	2.4
81.03419	8.7
81.07055	99.6
83.04980	10.7
83.08614	32.2
85.06549	6.8
91.05475	55.6
93.07048	72.1
95.04977	13.0
95.08609	68.4
97.02903	2.5
97.06531	8.6
97.10168	31.1
99.00809	5.7
99.08083	3.3
101.40995	2.4
105.07028	44.4
107.04948	11.0
107.08598	48.9
109.02876	9.0
109.06497	6.9
109.10141	35.0
111.04472	8.4
111.08085	12.2
117.07000	20.1
119.08576	30.3
121.06527	7.5
121.10141	26.9
123.08089	7.1
123.11703	15.7
125.09634	31.8
129.07018	12.7
131.08565	25.2
133.06497	3.2
133.10129	44.8
135.08060	7.8
135.11688	23.1
137.09579	3.5
137.13248	5.0
139.11171	2.9
141.06987	3.4
143.08556	15.3
145.06500	4.2
145.10135	23.2
147.08014	4.6
147.11682	21.3
149.09644	3.9
149.13246	13.8
151.11188	7.7
153.12727	3.0
155.08557	8.0
156.19133	2.5
157.10126	10.4
158.10939	2.6
159.11688	17.7
161.09584	14.6
161.13258	9.0
163.11209	10.6
163.14780	5.6
165.12732	4.7
169.10115	9.9
171.11705	14.7
173.09666	5.3
173.13271	14.8
175.14803	6.4
179.10616	6.0
179.14197	4.0
181.10103	3.4
181.12274	6.4
183.11674	8.4
185.13264	10.3
187.14850	7.3
189.09166	3.2
189.11230	10.1
191.10672	5.5
193.12372	3.0
195.11684	4.7
197.13222	7.2
199.11218	2.9
199.14833	5.4
201.12788	3.5
207.10085	3.9
209.13304	5.5
211.15007	3.4
215.14256	3.2
222.74312	2.7
225.11166	12.5
225.16492	3.2
227.12685	19.3
243.12369	3.2
243.21063	5.1
259.20480	10.4
261.22144	25.9
263.17776	2.6
275.19907	5.6
277.21625	10.9
279.23267	3.4
281.13779	4.8
283.15445	8.4
287.23654	7.0
293.20953	2.8
297.22076	4.2
299.14938	26.2
299.20016	3.6
301.16409	4.5
313.21704	4.4
315.23184	14.3
333.24109	7.6
335.25735	28.9
339.22928	3.4
341.21039	4.2
421.30814	10.4
431.29196	3.7
439.32138	9.0
449.30338	13.2
457.33115	6.7
467.31628	22.2
485.32639	19.0
495.34763	6.1
513.35699	21.7
515.37048	7.9
523.33783	4.2
531.36829	26.5
541.35315	90.7
559.36304	95.5
577.37738	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.4
56.96553	0.2
57.03416	0.3
67.05502	1.1
69.03400	0.7
69.07047	0.9
70.61391	0.5
70.61792	0.5
79.05485	1.0
80.57838	0.2
81.03394	0.4
81.07068	1.4
83.04987	0.2
83.08643	0.3
85.02889	0.4
86.06069	0.6
86.09674	0.2
91.05462	0.6
93.07018	0.9
95.04947	0.7
95.08587	0.7
97.02885	0.3
97.06004	0.2
97.06535	3.1
98.09690	0.2
105.07005	0.5
107.04881	0.2
107.08537	0.6
109.06472	0.3
109.10114	0.7
111.08038	0.3
116.10744	1.7
116.11449	0.3
117.11044	0.3
119.08543	0.5
121.10101	0.5
122.09634	0.6
123.08073	0.2
129.06967	0.2
131.08560	0.3
133.10153	0.3
135.04388	0.4
135.11670	0.4
137.02348	0.2
139.11174	0.2
145.04916	0.3
149.09569	0.2
149.13310	0.3
153.01814	1.9
159.02974	0.2
169.10129	0.2
171.02794	0.2
173.11754	0.3
203.03210	0.3
214.17990	1.9
215.18451	0.6
215.36678	0.2
229.04871	0.6
241.04868	0.3
257.04456	24.0
258.05215	4.6
259.05975	0.7
269.04443	0.3
270.05600	0.2
285.03885	0.6
286.04709	15.0
287.05496	57.9
288.05927	0.8
297.04184	0.5
297.07510	0.5
313.07062	1.5
316.21225	1.9
317.21497	1.4
339.08591	0.3
355.11688	0.7
383.11246	100.0
384.11557	1.7
401.12320	57.0
402.12744	1.3
414.28381	0.4
415.13873	90.8
416.14084	1.0
484.30466	0.2
559.14569	5.0
559.23907	0.4
576.36023	0.3
577.15338	5.3
577.35242	0.3
578.15509	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	577.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05347	2.1
53.03942	4.1
55.01865	10.3
55.05267	3.4
55.05512	51.0
57.03434	14.1
57.07065	5.3
65.03929	5.5
67.05505	100.0
69.03415	4.2
69.07070	28.0
70.08592	11.8
71.04977	8.2
71.08668	2.7
73.18318	2.1
79.05492	50.1
81.03411	8.4
81.06577	5.1
81.07056	99.0
82.35357	2.1
83.04971	7.9
83.08620	22.9
85.06528	9.3
91.04970	4.1
91.05483	52.3
93.07047	61.5
95.04973	15.4
95.08604	61.9
97.02892	3.5
97.06529	8.1
97.10165	30.1
99.00819	3.5
99.08096	3.6
101.34328	2.3
105.04492	2.4
105.07028	45.3
106.91272	2.2
107.04945	10.7
107.07867	2.9
107.08591	48.8
109.02885	4.9
109.06507	6.9
109.10155	40.9
111.04452	2.8
111.08082	10.0
113.05937	3.1
117.07008	22.7
119.08575	35.2
121.06485	7.3
121.10129	21.3
123.08056	7.8
123.11727	15.4
125.09625	21.9
128.06177	3.3
129.06982	12.5
131.08580	28.9
133.09221	4.2
133.10138	41.4
135.08057	7.6
135.11693	22.0
137.09576	3.6
137.13254	6.1
141.06998	3.3
143.08577	14.7
145.06471	3.7
145.10117	29.2
147.08057	4.2
147.11670	14.8
149.09621	6.0
149.13239	7.7
150.84596	2.1
151.11172	9.7
152.72319	2.7
153.12799	5.0
155.08551	7.6
157.10112	11.8
159.11690	16.5
161.09660	14.3
161.13284	11.3
163.11179	7.5
163.14796	4.4
165.12755	4.9
165.48659	2.8
165.62106	2.5
167.08488	2.2
169.10138	8.2
171.11746	12.2
173.11909	2.9
173.13231	13.2
175.11192	5.5
175.14864	6.7
177.16331	2.4
179.10747	3.7
181.10237	4.3
181.12100	2.4
183.11624	5.8
185.13278	9.1
187.14836	6.9
189.09138	5.5
189.11197	10.8
189.16389	2.8
195.11697	3.3
197.13300	8.8
199.14806	7.8
201.16391	3.8
205.65054	2.5
211.14870	4.7
213.16342	2.7
225.11234	7.6
225.16255	3.9
227.12753	27.9
243.12250	2.8
243.21127	2.7
245.13750	2.7
259.20490	3.8
261.22150	13.2
267.15720	2.4
271.20654	2.7
273.18582	3.2
277.21762	5.5
279.23260	3.7
281.13843	3.0
283.15552	4.7
289.21729	3.0
291.19708	3.0
297.22192	3.4
299.14978	18.1
301.25174	8.7
315.23276	7.8
317.24695	3.1
329.63229	2.5
333.24121	3.6
335.25937	11.2
351.25540	2.8
405.26251	2.5
417.31741	3.2
421.31064	7.5
435.32385	6.2
439.32214	4.0
449.30603	6.7
453.33685	5.3
457.33054	3.8
467.31921	11.2
484.90253	3.4
485.32635	9.8
491.36829	2.8
495.34384	3.7
501.35739	7.5
509.36243	2.8
513.35443	12.7
515.37506	3.5
519.36719	21.7
527.37469	30.8
531.36261	12.4
541.26794	4.2
541.35083	40.1
545.38470	32.9
559.35919	46.9
577.39044	35.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1909
Annotation	5'-demethoxy-6-methoxypodophyllotoxin 7-glucoside
Peak:m/z	Relative Intensity
55.05491	0.5
57.03411	0.4
62.06080	0.4
67.05502	1.5
69.03412	0.4
69.07032	1.3
71.08620	0.5
71.61299	0.3
71.61658	0.4
72.76032	0.3
79.05463	1.2
81.03416	0.7
81.07042	1.8
83.08620	0.3
85.02848	0.7
85.06501	0.3
86.03222	0.3
86.06039	0.8
91.05436	0.8
93.07024	1.0
95.04968	0.7
95.08565	1.0
97.02854	0.4
97.06530	2.4
99.08100	0.4
105.07006	0.9
107.04915	0.4
107.08585	0.8
109.10115	1.3
116.10736	2.3
119.08553	0.9
121.06438	0.3
121.10138	0.5
122.09664	0.6
127.03897	0.4
131.08540	0.6
133.10110	0.4
137.09546	0.4
143.10742	0.3
147.11583	0.3
153.01871	2.0
173.11687	0.3
196.16916	0.5
214.16211	0.4
214.18059	5.6
215.18356	1.7
241.04825	0.3
257.04446	23.6
258.05252	4.4
259.05963	0.9
269.04291	0.5
270.20593	0.7
271.20779	0.4
285.03720	0.4
286.01520	0.5
286.04718	14.5
287.05496	56.0
288.05707	0.4
297.03833	0.7
313.07086	1.3
316.21240	3.9
317.21484	1.5
339.08600	0.5
355.11905	0.9
376.23450	0.4
377.23526	0.5
383.11243	100.0
383.59125	0.3
384.11496	1.2
401.12311	57.9
402.12634	0.6
414.28366	0.8
415.13867	94.7
416.14349	0.7
455.24490	0.4
479.26529	0.4
559.14478	5.4
577.15051	5.9
577.34338	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24451	0.3
52.60927	0.4
54.71024	0.3
55.05514	1.0
66.51668	0.3
67.05507	0.7
69.03436	0.6
69.89368	1.4
69.89775	0.6
70.06590	1.2
72.08164	1.2
73.04082	0.4
77.85008	0.3
81.07088	0.6
84.08158	1.0
85.02924	1.1
86.09703	3.6
91.05491	0.6
93.07062	0.4
95.04976	0.5
95.08586	0.4
97.02917	0.5
97.06557	0.5
98.21384	0.8
105.07029	0.5
107.08546	0.5
109.10165	0.7
119.08530	0.4
127.03912	0.5
131.08566	0.6
133.10097	0.4
136.07553	0.5
146.11760	0.8
147.07874	0.4
149.02347	1.6
150.02669	0.8
153.01826	52.0
159.08026	0.6
161.05960	0.6
177.05428	0.5
187.07536	18.7
189.05452	16.0
199.18024	0.6
213.05319	0.5
221.08104	0.6
222.08478	0.4
227.06953	0.4
229.04956	0.7
237.05246	0.4
243.06572	0.6
255.06520	1.5
257.04446	23.4
258.05179	3.1
259.06122	0.4
264.10239	0.4
265.08786	0.9
269.07925	0.5
270.05234	0.7
271.06024	0.5
273.07657	0.9
282.05252	11.8
283.05994	5.6
283.09610	2.8
286.04691	10.2
287.05472	13.2
287.10172	2.0
293.08066	1.0
295.06079	0.6
297.03970	0.9
297.07535	0.6
299.05423	1.3
307.06235	0.5
310.04703	1.5
311.05438	10.9
311.09103	6.9
313.07129	0.6
321.07587	1.0
323.05295	0.4
324.06308	0.5
325.07053	1.0
339.08624	69.7
355.11575	2.0
365.10025	1.2
383.11240	99.2
384.11600	2.2
397.12750	1.4
401.12305	100.0
402.12552	1.7
415.13876	70.4
416.13995	0.5
422.16656	0.5
424.18570	0.6
559.14026	0.9
577.15118	15.3
577.28796	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	577.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57627	0.3
57.03410	0.3
60.04527	0.3
69.03390	0.3
69.07046	0.3
69.51653	1.2
69.52085	1.3
71.04980	0.3
81.07032	0.6
83.02296	0.3
83.04990	0.3
84.08130	0.3
85.02892	1.1
85.06521	0.3
86.06055	0.4
86.09693	0.4
91.05451	0.5
93.07046	0.4
95.04928	0.4
95.08588	0.8
107.06459	0.3
107.08540	0.4
115.05408	0.3
117.06970	0.3
131.08588	0.4
139.03902	0.6
143.12781	0.3
145.10097	0.4
153.01820	38.7
159.08017	0.4
161.05939	0.6
163.07419	0.3
171.45908	0.3
187.07535	9.2
189.05460	6.3
189.09074	0.4
198.06926	0.3
227.06931	0.4
229.08626	0.5
237.05330	0.3
243.06235	0.3
253.05035	0.3
255.06517	1.0
265.04926	0.5
271.09808	0.4
273.07574	1.0
281.04410	0.4
282.05225	6.6
283.05994	3.0
283.09344	0.4
286.04596	0.4
287.05420	1.4
293.08005	0.7
295.06009	0.5
297.03986	3.3
297.07092	0.6
298.04626	2.0
299.05524	1.6
310.04703	4.0
311.05490	33.3
311.08722	1.4
312.05780	0.8
313.06854	0.4
316.21121	0.3
321.07510	0.7
323.05426	1.0
324.06226	1.0
325.07053	0.9
326.07855	1.3
337.07214	0.5
339.08621	45.2
340.08981	0.8
355.11707	1.2
357.09357	0.5
365.10211	0.8
371.11343	0.7
372.78876	0.3
383.11227	100.0
384.11383	2.1
401.12289	58.0
402.12601	1.4
415.13882	15.5
515.31396	0.5
559.14441	23.0
560.14917	0.7
577.15167	2.7
577.29993	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	576.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34917	2.3
53.00307	3.0
53.03936	5.9
55.01868	11.1
55.05512	26.9
56.58031	2.3
57.03436	16.8
58.50919	2.0
59.04984	2.6
60.22244	1.9
67.05164	3.9
67.05502	45.8
68.05840	5.8
69.03419	5.7
69.07056	12.0
71.04983	6.1
71.59852	2.6
79.05490	35.4
80.05855	2.1
81.03419	74.7
81.07051	44.2
82.03780	2.2
82.07385	4.7
83.04977	15.1
83.08623	29.8
85.02928	5.5
85.06494	3.7
91.05474	42.6
92.05811	2.1
93.07041	35.2
94.07381	3.9
95.04958	35.1
95.08603	19.2
96.08910	3.5
97.02909	8.5
97.06511	10.0
97.10155	9.7
98.10490	2.3
99.00805	9.7
105.07026	35.4
106.07351	3.1
107.04952	18.4
107.08578	22.9
108.08887	3.3
109.02885	6.0
109.06528	11.8
109.10144	14.2
111.04444	6.1
111.08046	11.9
115.03931	2.5
117.07027	10.8
119.08578	25.7
120.08813	2.2
121.06506	9.4
121.10150	15.5
123.04393	3.0
123.08055	6.8
123.11705	2.9
125.09621	9.3
127.03916	3.2
128.06255	2.8
129.06987	10.0
131.08569	13.9
132.08896	2.3
133.06491	5.2
133.10121	31.7
135.08070	6.2
135.11684	6.4
137.09613	3.4
142.07738	3.6
143.08542	5.8
145.06450	3.0
145.10103	13.0
147.08069	5.2
147.11667	10.0
149.09619	8.6
149.13261	3.7
151.11232	10.3
151.46461	2.2
155.08618	2.3
157.10141	11.6
159.11604	2.4
161.09663	10.8
163.11143	10.2
169.10130	2.2
171.08049	4.0
173.09627	4.2
175.11160	12.2
179.10681	7.5
186.13762	3.1
189.09129	9.6
189.11215	6.1
191.10663	5.2
193.12291	20.3
209.11757	6.1
211.13286	7.5
219.13850	7.4
220.14229	2.6
223.11023	2.4
223.13225	2.9
225.11221	10.0
227.12810	10.4
243.12195	2.3
250.00658	2.8
267.15900	100.0
268.16336	3.3
273.18417	3.9
274.18835	4.8
275.20120	3.0
276.20456	3.8
281.13901	4.8
283.15390	19.3
284.15762	3.4
285.16962	6.8
291.19531	5.9
292.19839	6.3
299.14877	62.1
300.35654	2.3
301.16403	3.9
379.24719	8.7
385.23801	3.1
403.24429	2.3
437.25516	2.5
445.25925	7.1
448.28632	2.3
456.70068	2.4
459.27463	15.9
463.26743	5.8
473.25327	17.4
477.28409	11.8
478.28632	2.8
484.31470	2.9
491.26343	74.5
509.27020	5.5
540.33917	6.0
558.35352	23.3
566.16174	2.9
576.36267	22.0
576.50684	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	576.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01863	0.9
55.05509	2.3
57.03427	1.3
59.03997	0.4
61.02910	1.5
62.06084	1.0
67.05501	3.5
69.03432	7.3
69.07056	1.5
70.06579	1.6
71.04967	1.3
71.06303	0.9
71.08630	10.0
71.53201	0.4
72.08159	2.3
73.02905	1.2
74.47501	0.4
81.03420	2.5
81.07062	2.8
83.04963	0.6
84.08147	1.2
85.02908	7.1
86.06066	23.3
87.04456	1.3
91.03979	0.7
91.04956	0.7
91.05480	6.0
92.51203	0.5
93.07036	3.5
95.08606	9.8
96.08136	5.1
97.02898	4.2
97.06512	0.5
98.06055	1.7
98.09688	8.6
99.04448	1.9
99.07472	0.8
99.08092	10.6
101.02364	0.6
105.07019	1.2
105.11127	0.5
107.08601	0.8
108.08102	2.9
109.02845	2.0
109.10146	3.2
110.09701	0.9
113.08394	0.5
114.09162	0.8
116.10732	58.8
119.08579	12.1
122.09654	2.2
123.08086	0.7
124.07590	2.1
126.09163	0.7
126.29253	0.4
127.03913	4.3
136.11232	0.6
137.08638	0.8
137.09619	8.5
138.09166	0.7
140.10674	1.4
142.08627	5.2
142.09633	0.7
142.12279	1.0
143.10640	3.1
145.04968	1.8
147.08070	2.4
154.12347	0.5
154.15906	2.0
155.10620	0.8
165.09082	1.9
166.15919	1.5
178.15923	0.8
183.10165	1.7
185.11720	0.5
194.19026	0.6
196.16988	4.8
201.11188	2.7
208.13272	0.5
208.16986	0.5
209.11769	0.8
214.18021	77.4
215.18300	1.2
220.16940	0.5
225.11163	0.5
227.12738	0.9
236.20107	1.4
238.17976	1.2
243.12282	1.2
244.15340	0.5
245.13857	2.5
252.19705	0.5
254.21135	6.4
256.19064	4.7
257.04449	1.5
257.81946	0.4
258.05307	0.5
261.13324	4.7
262.18124	0.8
280.19064	7.7
286.04544	0.9
287.05484	1.8
298.20102	8.0
316.21191	100.0
317.21576	1.7
324.89883	0.5
353.16498	0.4
376.23306	12.6
383.11279	5.9
396.27454	1.5
401.12305	8.1
414.28500	29.0
415.28860	1.0
460.25812	0.8
478.26483	26.0
479.26566	1.0
541.42181	0.5
576.33759	17.6
577.15436	0.8
577.34302	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	576.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01818	0.4
55.05455	0.9
55.05692	0.4
57.03370	0.5
59.32789	0.3
61.02862	0.7
67.05421	2.5
69.03350	2.0
69.06990	1.5
70.06538	0.6
70.74187	0.9
71.04909	0.4
71.08548	2.7
72.08096	0.8
73.02855	0.6
75.34270	0.3
79.05407	1.3
81.03334	1.2
81.06968	1.9
81.07426	0.7
83.08562	0.7
84.08099	0.7
85.02810	2.2
85.06475	0.4
86.05974	5.1
91.05380	2.2
93.07040	1.9
95.04889	0.8
95.08608	2.7
96.08041	1.0
97.02814	1.6
97.03347	0.3
97.06440	1.5
97.07027	0.5
98.05964	0.4
98.09595	2.0
99.04370	0.8
99.08085	2.5
101.96623	0.3
105.06965	0.8
107.08508	0.9
109.02795	0.5
109.10156	2.8
111.36204	0.4
116.10733	15.1
119.08575	3.1
120.08045	0.4
121.06400	0.4
121.08788	0.4
121.10030	1.0
122.09555	1.1
122.10371	0.3
123.08038	0.4
124.07494	0.9
127.03792	1.2
131.08496	0.5
133.10081	0.7
137.09502	1.7
142.08546	0.6
143.10580	1.5
147.07951	0.8
153.01707	1.4
154.15805	0.9
166.15852	0.6
173.13152	0.6
173.43925	0.4
178.16003	0.4
183.13751	0.4
196.16902	1.6
201.11176	1.0
210.18422	0.5
214.18021	33.5
215.18274	0.6
217.12140	0.4
222.18529	0.4
227.01616	0.4
229.04829	0.7
235.10771	0.7
245.13673	0.5
252.19510	1.0
254.21049	1.3
257.04453	24.4
258.05191	3.9
259.05954	0.5
261.12875	0.6
269.04254	0.4
270.20584	3.1
280.18997	1.0
286.04715	13.2
287.05502	34.0
291.09799	0.5
297.07318	0.8
298.20023	1.1
298.23462	0.5
313.06979	1.0
316.21204	26.4
355.11755	0.7
365.17163	0.5
369.09647	1.4
376.23355	4.1
383.11252	88.6
396.27206	0.9
400.11316	0.8
401.12314	100.0
403.15402	0.6
406.17627	1.0
414.28461	8.9
415.13889	27.7
436.18484	2.0
473.47916	0.5
478.26373	5.6
479.26886	0.4
541.25250	0.5
558.33636	0.6
559.14575	4.5
559.25525	1.0
576.33997	6.1
577.15350	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	576.3379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05273	1.1
55.05500	1.2
56.39399	1.2
57.03428	2.0
57.58474	0.9
61.02924	1.2
67.05489	2.8
69.03429	7.1
69.07052	1.5
69.35427	7.3
69.35848	3.0
70.06575	2.4
71.04974	1.6
71.08629	7.9
72.08140	1.5
81.03407	2.0
81.07040	3.5
81.47340	0.9
83.07389	1.2
83.74933	1.0
85.02880	6.6
86.05574	1.8
86.06071	23.1
91.05474	4.8
93.07043	2.3
95.04964	1.2
95.08606	7.2
96.08116	2.7
97.02884	3.2
97.06500	1.7
98.06057	1.1
98.09702	7.3
98.21442	1.8
99.08083	11.5
100.83142	1.0
105.07015	1.3
107.08604	1.3
108.08073	1.5
109.02850	1.6
109.10159	2.1
116.10732	56.0
118.66727	1.1
119.08577	8.9
122.09682	1.3
124.07609	1.8
127.03928	4.8
137.09634	5.9
142.08641	5.3
142.12199	1.6
143.10658	2.8
147.08031	2.4
165.09099	1.6
214.18018	10.3
225.11183	1.1
227.12784	2.3
238.17937	1.5
239.75688	1.2
245.14021	1.8
254.21040	5.9
256.19116	4.2
257.04449	13.1
258.05246	2.3
261.13330	3.6
270.53851	1.1
280.18936	7.2
286.04709	7.7
287.05502	14.3
298.20151	6.6
316.21185	100.0
317.21701	1.9
332.20715	12.3
376.22964	1.8
383.11237	46.7
396.27243	2.3
401.12338	57.7
414.28510	25.4
415.13739	4.2
430.28033	4.9
478.26474	26.3
479.27057	1.2
484.80560	1.4
559.14380	2.5
576.33832	15.9
577.15302	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	576.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
55.05507	2.3
57.03432	2.0
61.02911	2.3
63.38459	0.5
67.05518	2.4
68.05006	0.7
69.03436	7.5
69.07069	4.2
69.30713	3.4
69.31141	1.9
70.06588	3.8
71.04997	0.8
72.08153	2.0
73.02898	2.4
79.05484	1.9
81.03413	2.7
81.05798	0.7
81.07069	3.4
82.06579	2.0
83.08605	0.9
84.04519	0.6
84.08137	1.6
85.02903	9.0
86.09696	7.5
87.04473	2.6
91.03936	0.8
91.05515	0.7
93.07081	2.3
94.06567	1.7
95.08595	2.2
96.08131	6.0
97.02882	4.6
99.04452	1.9
101.02402	0.6
102.05537	0.6
104.05323	0.6
105.07033	0.9
107.08594	1.2
108.08117	1.8
109.02865	1.7
109.08903	0.7
109.10144	0.7
110.09669	2.3
119.08550	0.6
120.08093	0.7
121.10161	0.9
122.09689	1.5
123.10419	1.2
127.03921	2.8
129.10248	1.4
140.10689	1.1
145.05003	0.8
173.13040	0.5
196.16895	0.8
199.18068	1.7
203.12172	0.8
205.91653	0.5
227.17635	1.4
231.11652	0.9
246.22186	1.0
248.23744	22.5
249.24129	0.8
262.21725	1.5
264.23218	40.8
266.24777	19.9
274.21841	0.8
282.24261	31.8
292.22754	3.0
304.84467	0.5
310.23694	4.1
324.25079	0.5
328.24832	2.4
358.21701	0.9
370.25940	1.5
414.24902	1.8
428.30078	9.9
444.29581	25.0
472.29117	4.5
479.49173	0.7
490.30087	1.5
532.31152	14.2
576.30139	100.0
577.30157	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	575.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83360	3.6
53.03943	7.2
55.01871	17.9
55.05512	47.7
57.03430	13.6
57.07072	6.4
57.86577	3.4
59.04979	4.7
60.53418	3.5
67.05508	100.0
68.05814	4.2
68.34062	4.3
69.03419	10.6
69.07072	22.9
70.61575	13.8
71.04983	13.4
71.08645	6.2
79.05494	66.6
81.03423	17.6
81.06582	6.1
81.07058	92.0
83.04982	18.5
83.08627	32.2
85.02885	4.6
85.06541	6.4
91.05478	73.7
93.07052	75.2
95.04983	25.2
95.08051	5.1
95.08609	58.6
97.06540	22.7
97.10175	20.6
97.10705	4.2
99.08089	6.7
105.07034	57.5
107.04965	18.7
107.08585	43.3
109.06515	15.4
109.10153	29.8
111.04504	4.8
111.08077	9.3
115.05441	5.8
117.07039	27.9
119.08594	41.7
121.06516	9.9
121.10151	30.3
123.08069	10.3
123.11700	4.2
125.09632	15.6
129.07031	19.9
131.08572	37.9
133.06570	5.4
133.10144	38.5
135.08018	12.5
135.11664	22.3
137.09630	8.8
139.11253	3.9
141.06927	6.3
142.07767	4.9
143.08577	21.5
145.06448	5.0
145.10109	39.5
145.57892	3.3
147.08005	6.4
147.11673	19.8
149.09622	15.6
149.13210	6.1
151.11107	8.8
155.08531	7.9
157.10118	17.7
159.11696	21.0
161.09596	4.4
161.13300	6.9
163.11151	22.7
167.08496	4.8
169.10184	10.2
170.49251	3.5
171.11656	16.9
173.09639	10.5
173.13232	10.0
175.11221	10.1
177.12762	3.9
179.14333	3.9
181.10211	6.7
181.12195	4.1
183.11700	7.5
185.13257	5.1
187.11108	4.4
187.14899	5.0
189.11212	10.3
189.12817	8.1
191.10696	5.4
193.12273	7.7
195.11752	7.5
197.13324	7.0
199.14848	4.6
209.11746	5.7
211.13269	5.3
214.64771	3.4
227.12769	16.9
247.20746	4.7
257.19110	5.5
267.15872	10.8
271.94272	4.1
273.18442	12.3
275.20062	40.8
283.15527	24.0
285.22098	4.5
287.20129	3.9
291.19580	15.4
293.21182	8.7
299.23526	7.3
313.21524	6.8
349.23798	12.3
365.23514	3.7
421.25687	7.4
433.31009	11.4
451.32166	10.4
468.77356	3.7
469.33658	6.7
477.28055	7.5
483.31134	5.8
507.34619	5.5
517.35071	13.0
525.35687	34.2
539.33527	9.2
543.36670	37.1
557.34088	43.3
575.36438	48.5
575.48523	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	575.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	10.2
55.01888	20.1
55.05516	43.9
57.03443	22.9
57.07087	5.4
65.03947	5.0
67.05505	80.6
69.03436	8.3
69.07062	30.5
70.17887	13.8
71.04996	12.1
79.05492	66.6
80.05829	3.6
81.03422	63.7
81.07056	100.0
83.04990	20.3
83.05400	3.3
83.08627	31.9
85.02908	13.9
85.06502	4.8
91.05483	63.9
93.07040	60.6
95.04979	42.4
95.08601	38.1
95.93636	3.5
97.02891	6.8
97.06551	22.1
97.10171	19.9
98.20830	6.5
99.04471	6.8
99.08114	5.4
105.07034	45.4
107.04964	19.8
107.08580	39.3
109.02906	7.1
109.06510	26.9
109.10146	27.3
111.04456	15.3
111.08120	11.1
115.05473	5.0
117.06992	23.9
119.08588	44.2
121.06525	11.7
121.10144	22.3
123.08104	19.2
123.11722	5.6
125.09632	16.8
128.06261	5.7
129.05455	4.1
129.07008	18.6
131.08566	29.2
133.06512	7.7
133.10124	21.5
135.08090	15.8
135.11697	12.6
137.09657	6.5
143.08568	14.2
145.06523	8.4
145.10127	28.2
147.08055	11.2
147.11728	12.1
149.09607	15.3
149.13312	7.1
151.11156	6.0
155.08669	4.0
157.10130	18.2
159.08018	7.8
159.11771	9.6
161.09660	10.7
163.11160	19.2
169.10184	7.1
171.08084	5.0
171.11713	4.6
173.09599	6.8
173.13312	5.4
174.25044	3.5
175.11201	11.5
177.12767	5.8
181.10147	6.0
183.11783	4.5
185.13336	4.2
187.11218	4.9
189.09201	5.9
189.11232	12.6
193.12282	16.4
199.11284	5.1
209.11784	6.1
211.13246	9.5
219.13846	5.9
227.12862	14.8
245.13936	5.1
252.23669	4.5
257.19095	5.6
267.15955	38.6
273.18430	23.5
275.20062	19.7
283.15536	11.7
291.19547	43.8
297.18704	4.3
299.14862	9.5
313.21838	5.5
315.19528	5.9
329.21268	4.9
332.67273	3.9
347.22278	9.6
349.23828	7.5
365.23267	8.1
429.28128	3.6
433.26025	4.5
447.28244	7.2
465.29880	14.2
477.28574	10.5
483.30981	12.7
491.26624	5.9
539.33667	25.1
557.34656	69.9
575.27240	5.5
575.35803	75.1
575.50110	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48240	2.3
53.03936	9.0
53.93932	3.2
55.01872	24.1
55.05265	3.8
55.05513	51.3
57.03431	19.2
57.07058	4.2
65.03931	6.7
67.05507	98.2
69.03411	3.0
69.07071	39.8
70.28072	10.0
71.04979	12.0
71.08633	3.2
72.10688	2.5
79.05495	83.7
81.03414	36.4
81.07058	100.0
83.01331	5.1
83.04997	19.1
83.08614	36.9
85.02900	9.8
85.06541	7.2
91.05479	89.0
93.06467	4.7
93.07042	74.3
95.01298	3.3
95.04979	31.9
95.08608	56.8
97.02899	3.4
97.06537	31.1
97.10168	24.7
99.04412	4.7
105.07034	80.7
107.04964	23.7
107.08597	58.2
109.06538	22.1
109.10152	28.8
111.04440	7.8
111.08086	9.5
113.06021	3.2
115.05417	6.2
117.07026	31.7
119.08588	55.5
121.06507	13.8
121.10155	28.7
123.08041	14.9
123.11688	8.3
125.06003	4.8
125.09624	21.2
128.06223	3.9
129.07014	19.3
130.07796	3.6
131.08565	38.8
133.06573	6.4
133.10130	54.5
135.08044	14.5
135.11697	24.5
137.09589	9.5
141.06952	5.3
143.08557	12.5
145.06444	5.2
145.10124	44.2
146.10327	3.2
147.08090	13.0
147.11703	27.7
149.09645	26.8
149.13214	7.7
151.11198	7.4
153.09097	4.4
155.08492	5.9
157.10123	15.5
159.08087	5.2
159.11757	20.2
159.98918	2.7
161.09595	7.7
161.13274	13.3
163.11179	33.2
165.12752	8.1
169.10091	6.6
171.11696	14.9
173.09656	8.5
173.13237	8.9
175.11189	6.3
175.14781	4.6
177.12692	3.7
181.10172	5.1
181.12248	7.7
183.11665	5.5
185.09724	3.8
185.13306	6.4
187.14798	4.3
189.11180	8.7
189.12715	4.5
191.10773	5.0
191.14247	2.9
193.12178	14.2
205.12279	3.3
209.11819	6.9
211.13306	12.1
213.16324	3.6
219.13797	9.5
223.13303	4.3
227.12787	36.5
233.15428	3.7
239.11899	2.9
239.18066	6.7
241.19553	9.8
253.14568	3.9
257.18988	14.6
259.20651	18.6
267.15891	16.1
273.18448	18.3
275.20059	67.4
283.15393	37.6
291.19510	28.0
293.21204	8.3
295.20752	2.9
297.18472	4.1
299.14893	14.2
313.21497	6.9
315.19736	4.2
329.20901	3.6
331.22766	3.3
333.24289	11.6
347.22336	4.5
349.23743	33.3
365.23309	8.0
428.19971	2.7
429.27097	3.9
447.28735	5.9
452.80029	3.1
465.30017	4.7
477.28436	10.6
483.31042	8.0
511.34775	3.7
529.34900	5.1
539.33820	19.5
557.34741	78.7
575.35895	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3582
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	8.4
54.94466	1.7
55.01877	27.5
55.05513	48.1
55.40828	1.9
57.03447	17.5
57.07068	4.8
59.04985	3.4
62.06148	1.9
65.03945	6.9
67.05506	85.3
69.03441	9.7
69.07069	27.1
70.61907	5.4
71.05009	11.1
77.03934	2.3
79.05497	63.8
81.03421	57.3
81.07060	100.0
83.04983	22.2
83.08620	30.3
84.30368	2.5
85.02909	5.8
85.06552	6.4
91.05486	67.5
93.07046	58.7
95.04974	41.8
95.08609	38.8
97.02917	5.3
97.06532	26.7
97.10181	24.0
99.04431	3.2
99.08096	7.2
103.03872	1.8
103.05497	2.2
105.07036	55.5
107.04965	28.7
107.08603	40.0
107.09296	3.0
109.06514	26.1
109.10163	26.0
111.04433	12.7
111.08105	12.9
113.06048	4.2
115.05469	5.7
117.07007	29.2
119.08578	44.2
121.06506	19.0
121.10146	25.4
123.04481	3.2
123.08064	21.9
123.11731	8.3
125.06030	2.3
125.09635	22.7
127.03967	2.0
127.07544	3.2
128.06227	4.0
129.05385	2.3
129.06992	21.5
130.07779	2.6
131.04927	4.0
131.08575	36.3
133.06512	9.3
133.10132	23.5
135.08049	18.2
135.11687	18.8
137.09654	7.9
141.07014	5.5
142.07777	3.3
143.08582	16.3
145.06499	8.0
145.10129	32.5
147.08113	10.5
147.11711	17.7
149.09634	18.8
151.11217	4.6
153.09132	2.3
153.12784	6.8
155.08598	9.4
157.06517	2.8
157.10132	17.8
159.08067	8.3
159.11702	13.2
161.09602	14.2
161.13251	4.2
163.11180	28.2
165.09148	4.3
165.12790	4.9
167.08633	2.4
169.10182	8.7
171.08022	4.2
171.10370	2.7
171.11771	8.4
173.09680	10.3
173.13319	5.8
175.11133	9.4
175.14818	2.2
177.09109	2.5
177.12784	4.4
179.08513	2.3
181.10112	4.3
181.12309	4.8
183.08240	2.9
183.11754	6.8
185.09627	4.3
185.13290	3.6
187.11209	4.6
189.11258	13.6
189.12796	3.9
191.10686	8.5
191.14413	2.4
193.10518	4.0
193.12292	15.7
195.11864	4.0
197.09698	3.1
197.13306	4.1
199.11217	3.5
199.14882	4.6
201.12756	3.2
203.14458	2.4
207.11792	3.5
209.11781	6.9
211.11359	2.7
211.13339	7.0
213.12834	4.6
217.16000	3.3
219.13795	15.4
227.12744	19.0
229.14375	4.1
235.14970	2.0
245.18997	3.9
255.17664	2.9
257.19070	7.3
267.15955	25.3
273.18503	19.8
275.20047	32.8
283.15335	20.6
285.17081	3.1
291.19586	30.0
293.21246	4.6
295.20523	2.1
297.18567	3.3
299.15009	2.5
313.21759	7.2
315.19577	3.1
329.21149	3.4
331.22714	2.8
337.20963	2.2
341.21292	5.7
347.22247	9.8
349.24033	12.5
351.23196	2.5
355.22226	2.3
359.22110	3.1
365.23352	9.4
367.22855	2.4
369.24225	2.6
385.23572	1.9
386.09448	2.5
389.23318	2.2
403.24954	3.8
415.24692	2.5
429.27649	2.9
433.25980	9.1
447.28894	11.3
451.27197	2.9
459.27377	3.0
462.94543	2.3
465.30142	14.9
477.28961	6.5
483.31113	16.6
501.32462	5.4
521.32690	3.3
529.35431	4.1
539.33685	21.8
557.34753	82.1
575.35858	78.5
575.49524	3.3
579.26758	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	574.322
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35631	0.3
55.01863	0.4
55.05502	0.6
56.11142	0.3
57.03424	0.9
59.04979	0.3
60.04515	0.3
61.02912	1.2
67.05516	1.9
69.03428	3.3
69.07063	1.1
70.06580	0.9
71.01368	0.3
71.04986	0.7
71.60813	0.4
72.04496	0.6
72.08146	0.5
73.02907	1.1
79.05474	1.1
80.25653	0.3
81.03429	2.4
81.07063	1.5
84.08118	0.4
85.02907	9.8
86.06071	3.7
86.09709	0.6
87.04470	3.4
91.05477	1.5
93.07039	1.6
94.06579	0.4
95.04951	0.5
95.08606	3.5
96.08125	1.5
97.02905	2.7
97.06566	0.3
98.06049	3.3
99.04452	1.7
105.07027	0.8
108.08111	0.6
109.02872	1.9
109.06509	0.4
109.10162	0.8
110.06030	1.0
110.09660	0.5
112.04000	0.4
112.07606	0.8
116.10699	0.7
119.08569	2.5
120.08098	0.6
121.10112	0.8
122.05999	0.6
122.09650	0.9
123.08076	0.8
124.07607	1.2
126.08979	0.3
127.03876	2.0
129.06999	0.4
134.09669	1.7
136.07544	0.4
136.11223	1.4
138.05450	0.6
142.08643	3.3
145.04936	1.2
146.09660	0.4
147.08037	0.9
151.11188	0.5
152.10683	0.4
154.08607	0.3
162.09084	0.6
164.10762	1.5
166.12224	0.3
169.12292	0.5
180.13893	2.3
182.15407	10.5
184.13324	6.8
187.09871	0.4
190.12256	1.6
198.14940	0.3
203.02985	0.3
207.08521	0.4
208.13330	14.6
212.14383	0.6
212.16451	13.8
226.14369	7.0
244.15445	100.0
245.15718	0.6
272.20114	1.5
290.21185	1.0
307.47156	0.4
308.22119	0.8
326.23193	2.4
374.21741	15.8
406.20703	3.8
412.26868	0.5
413.24954	0.4
522.50873	0.3
574.30005	3.3
575.29395	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	573.3423
Annotation	13beta-Hydroxymilbemycin D
Peak:m/z	Relative Intensity
51.02374	0.8
53.03939	3.0
55.01869	9.2
55.05510	23.3
57.03426	4.3
57.07067	1.1
59.04985	3.2
65.03930	2.0
67.05504	29.9
67.33262	0.7
69.03432	8.8
69.07068	23.1
71.04970	3.3
79.05492	33.3
79.05959	1.7
81.03412	10.8
81.07053	28.5
83.01340	4.0
83.04978	10.7
83.08228	0.8
83.08627	10.9
85.02901	2.0
85.06533	1.9
91.05476	26.9
93.06477	1.6
93.07043	31.1
93.07629	1.8
95.04959	12.1
95.08062	1.0
95.08612	15.0
97.02888	9.3
97.06515	6.6
97.10168	10.0
98.21568	1.2
99.04430	1.0
99.08085	2.0
99.53797	0.9
103.05450	1.6
105.07022	20.0
107.04958	10.5
107.08594	20.3
109.02864	1.7
109.06515	7.8
109.10160	8.1
111.04390	1.8
111.08083	2.7
115.05421	1.4
117.07009	12.2
119.08578	14.7
121.06500	5.4
121.10145	9.7
123.08074	6.4
123.11741	1.3
125.05955	1.2
125.09628	7.5
128.06255	2.0
129.06985	5.2
130.07777	1.2
131.04906	1.3
131.08563	12.2
133.06480	3.0
133.10107	9.1
135.08072	5.1
135.11694	7.8
137.09592	2.7
141.06976	1.8
142.07777	1.1
143.08537	5.1
144.09274	0.8
145.06512	2.1
145.09047	1.1
145.10115	15.4
147.08069	6.1
147.11697	4.0
149.09624	2.2
149.13240	2.0
153.09071	1.5
153.12749	2.9
155.08508	1.9
157.10095	4.2
159.08054	1.5
159.11652	3.9
161.09653	3.3
161.13194	1.2
163.11166	14.3
165.09044	1.6
169.10110	2.2
171.10213	0.8
171.11636	2.5
173.09612	3.0
173.13190	1.6
175.11188	4.0
177.12779	1.7
181.12244	1.6
183.11565	1.0
185.13281	2.2
187.11134	1.0
189.11191	3.2
189.12747	1.0
191.10701	1.4
193.12173	1.3
197.13199	1.3
199.11200	1.3
205.12222	1.7
209.11732	4.4
223.13280	14.3
227.12830	4.9
233.15338	1.3
237.16386	1.1
245.18903	1.4
249.14879	2.4
255.17377	2.3
273.18472	14.6
275.20062	3.0
283.15509	4.5
291.19534	92.3
340.28513	0.9
347.22241	2.6
365.23157	2.4
523.33484	1.5
541.35870	1.6
545.34833	1.9
555.32941	6.3
573.34106	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	572.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23965	0.9
54.31833	0.8
55.05513	5.2
56.05033	2.8
57.03431	2.0
60.04528	5.0
67.05503	15.2
69.07060	9.4
69.58291	3.3
69.58717	3.9
70.06586	1.4
71.05002	2.9
71.07368	2.6
71.08635	2.1
72.08141	2.1
73.02889	1.2
79.05502	6.3
80.62262	0.8
81.03421	1.8
81.05813	1.1
81.07057	23.3
83.04984	1.1
83.08599	2.4
84.04501	7.8
84.08144	1.5
85.06522	7.3
86.09706	6.2
88.03992	9.1
91.05482	3.9
93.07042	4.8
95.04951	1.8
95.08604	22.0
96.08127	25.9
97.06535	3.3
97.10138	0.9
98.06044	7.0
98.09711	1.0
99.08111	2.2
105.07060	4.3
106.05035	2.1
107.08611	2.4
108.08109	3.4
109.06509	1.5
109.10147	2.2
110.09637	0.8
112.07629	5.8
113.08375	1.0
114.09164	28.1
119.08588	3.1
121.10158	1.8
122.09649	1.4
123.11754	2.2
124.07589	21.1
126.09109	0.9
127.29798	1.0
130.05002	61.7
130.08646	4.3
131.08530	1.2
134.09648	3.2
135.11713	1.1
138.09145	2.5
142.08632	21.1
147.11656	5.8
160.09691	58.9
165.12756	5.2
183.13864	2.9
186.80997	1.0
193.99120	0.9
201.14871	3.9
212.16481	2.3
234.22266	1.3
240.16046	1.1
248.20169	1.5
250.21687	7.0
258.17014	20.1
262.21713	2.1
278.21167	5.5
280.22678	3.1
296.22232	16.1
306.20737	1.7
324.21649	11.3
326.23346	4.9
342.22726	23.0
370.22284	2.5
384.23843	1.7
388.23386	9.8
412.23184	2.7
428.22736	4.7
430.24368	4.2
438.21045	1.1
440.30051	1.6
456.22406	6.7
474.23352	100.0
475.23758	2.2
486.30380	3.5
528.31708	2.5
554.29663	1.5
566.92108	1.0
572.30627	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	573.3037
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
53.03928	0.9
55.01860	1.1
55.05510	4.9
57.03435	3.4
57.07075	23.3
67.05170	0.8
67.05500	7.9
69.03419	0.6
69.07071	5.7
70.23100	2.0
70.23505	1.1
71.08631	16.0
79.05493	3.5
81.03411	3.8
81.07051	10.4
83.08619	6.3
85.02868	0.7
85.06507	0.5
85.10186	8.9
85.15972	0.6
91.05470	3.3
93.07035	4.0
95.08604	11.5
97.06510	1.0
97.10166	3.0
98.98468	23.5
98.99123	1.2
103.07529	0.7
105.07014	1.5
107.04971	0.6
107.08588	2.8
109.02890	3.4
109.06453	0.8
109.10141	6.0
116.99520	1.2
117.07000	0.9
119.08594	1.1
121.10165	1.2
123.11681	1.6
129.07007	0.9
133.10136	0.8
135.11708	0.8
138.16531	0.6
140.01067	0.7
145.10095	1.7
147.11676	0.8
155.01039	20.3
163.11203	0.6
173.02087	1.4
239.10683	0.7
239.23712	3.1
261.03668	1.7
275.20050	1.8
291.19626	1.2
305.52600	0.7
313.27359	100.0
314.27670	1.7
317.06384	3.2
335.07272	2.5
393.23981	5.2
401.28885	2.8
537.28192	3.2
541.34900	0.7
573.34625	2.4
573.48669	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	570.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
56.04827	0.5
56.05037	5.5
56.81540	0.6
56.96569	0.7
60.04522	2.5
62.01788	0.4
67.05503	2.9
69.03419	0.8
69.07050	1.8
71.05002	0.6
77.31655	0.5
77.36118	0.5
79.05491	1.8
81.03413	1.3
81.07063	4.0
83.08644	0.8
84.04501	28.1
84.08138	0.7
85.02875	1.9
85.06558	1.0
86.09676	0.9
88.11456	0.5
91.05494	0.9
93.07029	1.5
93.44550	0.5
95.04977	1.1
95.08597	2.3
95.65101	0.5
96.04454	0.6
97.02919	0.6
97.06524	1.1
97.51589	0.5
99.04462	4.6
105.07012	1.1
107.08572	0.7
109.02887	0.8
109.10176	0.6
112.11237	1.5
112.44698	0.5
119.08574	0.8
121.10152	1.7
123.11667	0.5
127.03885	0.8
130.04996	100.0
133.10071	1.1
135.11700	2.4
140.10696	4.7
145.10089	1.6
147.11673	0.7
163.11137	1.5
169.12254	1.0
173.09554	0.6
175.14864	0.6
176.79918	0.5
178.91046	0.5
181.12198	1.8
186.11244	9.3
201.14772	0.6
208.16957	1.7
224.16441	4.8
228.12314	0.9
234.14696	0.7
234.35489	0.5
247.10448	0.5
253.18080	1.3
254.17520	2.8
270.16983	7.9
299.18411	0.8
316.17404	2.4
357.75797	0.6
358.18488	1.0
385.18512	8.2
402.17584	11.6
570.29932	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	570.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.0
55.05502	3.4
56.05026	2.7
60.04520	9.6
67.05499	5.7
69.03457	1.8
69.07057	6.9
70.17568	7.1
71.04982	2.7
73.83105	1.7
74.43060	1.7
79.05501	3.6
81.07062	11.4
83.08626	1.8
84.04503	12.2
85.06548	3.1
86.09724	1.6
91.05486	3.8
93.07017	1.9
95.05003	2.1
95.08598	7.6
96.08129	3.7
98.06053	4.3
99.04460	22.8
105.07023	3.6
107.08588	3.9
108.08105	1.8
109.06481	3.1
112.07542	2.0
119.08580	2.6
124.07573	7.4
129.06833	1.6
130.05008	13.9
133.10129	1.9
138.09161	3.0
140.07068	5.2
142.08675	3.3
147.11653	2.6
150.09087	2.6
151.11220	8.0
152.07034	3.1
152.10695	2.2
160.09654	5.4
167.13161	1.8
169.12241	32.1
173.18387	1.5
186.07602	6.6
192.13771	9.5
198.11327	1.8
199.35765	1.7
201.14883	2.1
208.17113	2.1
210.14821	3.1
224.16428	6.3
238.14330	9.0
242.00835	1.6
242.17570	2.4
254.17450	3.5
256.15457	100.0
270.17105	10.3
316.17587	2.8
334.27878	1.6
392.68500	1.6
402.17773	13.3
420.27643	4.0
438.28506	9.2
466.27826	2.9
484.28961	3.1
526.30328	8.8
552.28076	3.3
570.29150	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	570.2551
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29310	0.3
53.03941	0.4
55.01869	0.8
56.05028	0.8
57.03440	1.8
60.04544	0.3
60.36810	0.4
61.02916	0.4
65.03933	0.4
66.04716	0.8
67.05492	1.1
68.55061	0.3
68.55507	0.3
68.86687	0.3
69.03421	1.8
69.07072	0.5
70.06576	0.3
71.04990	3.0
73.02951	0.3
73.61200	0.3
74.45639	0.3
75.04476	0.7
78.32551	0.3
79.05132	0.3
79.05502	4.0
81.03412	1.0
81.07063	1.4
83.04961	0.6
84.04507	3.2
85.02421	0.5
85.02908	6.8
86.09686	0.8
91.05482	10.6
93.07054	0.7
95.04971	1.5
95.08588	1.1
97.02879	1.5
99.04449	0.4
103.05474	7.8
104.06281	0.4
104.10766	0.4
105.07037	12.7
106.43213	0.3
107.04970	1.3
107.08624	0.7
108.05771	0.5
109.02885	1.9
109.06508	1.3
109.10135	0.6
110.60559	0.3
111.04457	0.5
115.05438	1.4
116.98607	0.3
117.07045	0.5
118.04167	13.2
119.04950	3.5
119.08542	0.6
120.05745	1.8
120.08060	0.3
121.06505	2.6
121.10123	0.7
122.03620	0.6
122.07291	1.5
123.08042	0.7
124.05220	6.9
127.03926	1.0
129.05522	1.9
130.05008	11.3
131.04022	0.6
131.04938	8.1
132.05727	0.5
133.02840	1.3
133.06494	19.9
133.10187	0.5
134.07288	1.6
135.04410	1.3
135.08041	3.8
136.05278	0.3
137.05992	11.6
145.04964	1.0
146.03645	0.6
147.04424	4.5
147.06509	1.0
147.08015	1.0
148.05209	0.7
149.05959	0.8
150.06784	7.3
151.07573	3.7
161.05994	4.8
162.06787	0.5
163.07552	13.0
165.05420	0.5
165.09119	12.3
167.07040	0.7
175.07545	1.0
177.05489	1.0
177.09128	0.5
178.06241	0.6
178.09850	0.4
179.07039	3.6
184.07341	0.7
191.06967	0.7
191.10696	0.7
193.08615	100.0
194.08998	0.7
195.10217	0.7
207.10187	1.7
224.16481	0.4
229.08748	0.5
245.08141	0.7
270.17004	0.5
275.09305	0.6
323.12787	3.8
341.12372	0.7
355.15500	2.0
357.17105	1.7
402.17468	0.8
570.32196	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00282	0.7
51.85865	0.6
53.03942	1.3
55.01863	1.2
55.05512	0.7
56.05023	2.4
57.03433	1.5
57.70469	0.6
60.04513	1.1
61.02919	0.7
62.35912	0.6
67.05495	2.3
69.03419	2.9
69.07054	1.2
71.04986	2.3
71.31406	0.8
71.31754	1.3
73.02924	1.0
75.04505	1.1
79.05487	4.2
81.03428	2.0
81.07040	2.8
81.87685	0.7
83.04980	1.0
83.08602	0.7
84.04505	10.3
85.02903	5.7
85.06572	0.8
86.09718	1.9
91.05473	8.6
93.07060	2.0
95.04987	1.4
95.08598	1.6
97.02894	2.7
97.10152	0.9
99.04476	1.2
103.05457	5.9
104.10732	1.5
105.07040	12.3
107.04952	2.1
107.08571	1.0
109.02866	1.7
109.06511	1.5
109.10130	0.9
118.04159	10.2
119.04932	3.2
119.08580	1.3
120.05719	0.8
121.06490	2.1
121.10134	1.4
122.07290	0.7
123.08099	0.9
124.05200	5.8
127.03909	2.1
130.05003	38.7
131.04071	0.7
131.04913	5.3
132.05664	0.8
133.02811	0.9
133.06494	17.5
134.07275	1.0
135.04437	1.3
135.08061	3.8
137.05995	8.2
147.04398	3.4
147.08037	0.9
149.06049	1.2
150.06784	5.3
151.07555	2.5
157.10106	0.8
161.05966	4.2
163.07518	6.3
165.09125	12.2
167.07065	1.3
175.07489	0.8
177.09108	1.0
179.06993	2.8
184.07324	1.1
191.06920	1.5
193.08607	100.0
194.08914	0.9
195.10251	1.2
207.10249	1.0
211.68422	0.7
212.13481	0.7
224.16455	0.9
236.91061	0.7
254.17372	0.9
270.17047	2.5
284.64740	0.6
285.10037	0.9
323.12738	2.9
343.15579	1.1
355.15491	1.2
402.17462	2.4
446.77664	0.7
514.62415	0.8
515.47705	0.8
570.33148	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07674	0.7
53.03936	1.4
55.01858	1.1
55.05501	1.1
57.03435	0.8
60.04508	0.8
61.02921	1.4
67.05484	2.5
69.03426	3.3
69.07063	1.5
69.16841	0.7
70.06577	3.0
70.06919	0.7
71.59225	1.1
74.06046	0.8
79.05493	3.3
81.03403	3.7
81.03799	0.7
81.07050	5.8
83.04939	0.9
84.04501	1.0
85.02904	8.7
86.09686	1.7
91.05473	5.5
93.07043	5.5
95.04962	2.7
95.08590	2.4
97.02894	2.4
99.04452	0.8
103.05453	2.2
105.07046	3.8
107.04936	5.2
107.08580	2.5
109.02873	1.0
109.06487	1.5
109.10149	4.8
111.04423	1.0
112.28796	0.7
115.05457	1.5
117.06974	1.9
119.04927	1.6
119.08566	2.0
120.47497	0.6
121.06518	4.4
121.10153	1.0
123.04401	1.5
123.08099	1.0
123.11692	2.1
125.05972	1.1
127.03917	1.9
128.06178	2.2
129.07001	11.6
130.07761	0.9
130.38942	0.7
131.04933	2.5
131.08565	10.0
133.06450	0.8
133.10153	1.4
135.08037	2.6
135.11729	0.7
137.05975	6.4
139.11163	1.1
141.06972	5.4
143.08528	1.4
144.05669	1.0
144.41122	0.7
145.04961	1.7
145.06294	2.3
145.10092	1.5
147.11687	0.9
148.05150	1.0
149.05956	2.1
149.09586	1.3
151.03900	1.3
151.07484	3.7
151.11159	0.9
152.04701	0.8
153.05435	2.9
155.08405	0.8
157.06482	10.0
158.07245	2.3
159.08076	6.4
160.05182	1.9
161.05972	6.5
161.09613	3.9
162.07574	1.0
163.07516	5.4
165.06975	0.9
165.09129	2.5
166.06288	1.4
167.07051	22.4
167.08423	0.7
169.06461	3.2
169.09889	0.8
171.08029	0.8
171.11678	0.7
173.13182	0.7
174.06767	15.1
175.07494	5.4
177.09094	2.9
179.10645	1.7
180.08675	1.1
181.08604	22.0
181.10182	1.6
182.07234	0.7
183.08012	0.9
186.06747	3.2
189.09109	42.0
191.07048	1.6
191.10648	2.5
193.08527	1.2
195.08131	1.2
197.09698	1.4
199.11266	0.9
201.09105	9.7
205.06429	1.0
207.10092	4.1
210.06804	1.2
211.07475	0.7
219.10162	100.0
220.10542	1.0
222.99344	0.6
223.07489	1.7
225.09103	3.2
229.12331	0.7
239.06978	1.1
240.16017	0.9
251.07047	1.2
251.10628	1.2
253.08618	2.3
255.10255	1.3
257.11798	4.2
269.08078	1.0
283.09613	2.7
283.13300	2.6
283.66302	0.8
285.08243	1.0
285.11261	6.3
299.12573	0.8
301.21719	0.9
302.11734	0.9
311.12808	2.5
315.12326	4.6
317.13791	6.2
319.22763	3.9
329.13849	0.8
331.15237	0.9
337.23849	1.4
343.15424	11.9
361.16449	65.3
362.16779	1.2
373.16629	1.1
441.16779	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	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43910	0.2
51.92958	0.2
53.03931	0.2
53.35339	0.2
55.01861	0.6
57.03418	0.8
59.04957	0.2
59.88788	0.2
61.02933	1.2
69.03432	2.7
69.92737	0.2
70.06617	0.3
70.58274	0.7
71.05000	0.3
73.02895	0.7
73.03275	0.2
77.03957	0.2
79.05485	0.6
81.03413	1.2
81.03828	0.3
85.02903	15.4
86.09687	0.3
86.38893	0.2
87.04442	0.3
91.03947	0.8
91.05479	6.6
92.35861	0.2
95.04964	0.7
96.96487	0.2
97.02892	4.1
97.80414	0.2
99.04456	0.8
107.04955	17.5
109.02887	1.6
111.04424	1.3
115.05463	0.3
119.04101	0.4
119.04944	8.2
120.05730	1.2
121.02885	1.2
121.06493	0.3
123.04475	1.0
127.03919	4.3
131.04938	0.5
131.08565	0.2
135.04414	20.0
136.05197	1.1
141.06981	0.7
145.04947	7.5
145.06454	1.2
147.04420	0.5
153.06958	0.3
155.08534	0.5
157.06467	0.6
159.08029	0.4
161.05914	0.2
163.06012	3.1
165.05614	0.3
165.06996	2.5
165.71674	0.2
169.06433	0.3
174.06847	0.3
180.08698	0.4
181.06302	0.2
183.08057	2.7
187.07501	0.5
189.09125	0.4
193.06503	0.6
201.09102	0.6
211.07536	2.4
217.58437	0.2
219.10141	1.4
225.09023	0.4
229.08595	100.0
230.08888	0.6
241.08603	1.6
253.08646	1.8
265.08606	0.8
271.09787	1.4
271.49902	0.2
277.08606	0.3
295.09598	1.6
319.09872	0.5
325.10928	0.3
337.10577	0.7
347.31906	0.2
355.11871	1.2
373.12683	0.4
391.13773	0.7
446.37296	0.2
548.84930	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	568.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.7
55.05508	6.4
57.07069	9.1
65.03925	5.1
67.05517	16.6
69.07059	13.8
70.74831	9.6
79.05483	22.5
80.06245	3.1
81.07057	38.8
83.08611	4.3
85.06525	4.5
91.05475	38.3
93.07040	57.3
95.04962	41.6
95.08607	27.4
103.05468	4.2
105.07029	88.6
107.08589	43.8
107.75433	3.2
109.06521	4.9
109.10152	20.7
115.05478	5.5
117.07002	24.0
119.08574	100.0
120.09354	9.5
121.06478	3.8
121.10146	26.7
123.08041	18.9
123.11693	7.5
128.06236	8.8
129.06993	15.3
130.07773	12.1
131.08571	44.1
132.09354	11.2
133.10121	54.4
134.10886	6.4
135.08012	3.6
135.11722	18.1
137.09627	5.2
138.10371	9.0
141.06969	4.8
142.07794	18.5
143.08554	38.6
144.09300	11.5
145.10126	88.9
146.10904	6.0
147.11705	26.5
149.13261	4.7
154.07881	3.6
155.08586	12.9
155.99908	3.2
156.09369	16.2
157.10120	52.7
157.11307	4.5
158.10878	9.5
159.11694	38.3
161.09601	7.3
161.13281	10.4
163.11172	5.8
167.08594	8.3
168.09367	4.0
169.10112	24.6
170.10909	11.1
171.11684	40.1
172.12389	7.4
172.81035	3.3
173.13258	34.7
175.14813	26.0
177.12735	7.4
179.08534	9.0
181.10106	21.5
182.10867	8.4
183.11681	24.7
184.12462	6.6
185.13290	29.4
186.14008	9.4
187.14830	19.7
189.12704	4.5
190.94131	3.4
191.14349	10.1
193.10127	11.0
194.10896	8.8
195.11687	20.8
196.12463	7.8
197.13231	32.7
198.14015	6.0
199.14815	10.4
201.12793	4.2
201.16394	7.3
206.10933	5.4
207.11725	13.5
208.12482	5.2
209.13263	28.4
210.13892	4.2
211.14789	18.1
213.16420	4.8
221.13237	5.3
223.14853	12.9
224.15683	4.1
225.16313	5.1
235.14816	6.7
237.16389	11.6
239.17894	4.1
247.14775	4.6
263.17734	4.6
265.19485	5.7
270.19772	3.9
275.17993	3.5
277.19543	4.4
284.29370	7.1
285.22137	5.3
297.21982	4.4
311.29453	5.1
323.23642	4.8
338.26065	49.9
430.32462	16.4
476.36469	23.1
568.42670	51.4
568.56476	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12988	3.9
53.03941	6.5
55.01860	10.0
55.05501	13.9
57.03425	11.8
57.07059	4.8
60.18924	4.3
61.02929	7.0
61.77536	4.0
64.67687	3.9
67.05507	27.9
69.03431	33.7
69.07061	18.7
70.00290	17.2
70.06602	7.4
71.04995	24.0
73.02926	23.9
75.90001	4.2
79.05479	28.2
81.07059	100.0
83.04986	6.5
83.08655	6.1
83.96412	4.8
85.02905	57.9
86.09704	11.4
91.05472	23.9
93.07043	47.4
95.04974	14.3
95.08608	58.8
97.02893	34.2
97.06505	6.8
97.10185	6.3
99.08096	7.9
104.10621	4.1
105.07028	53.0
107.04946	5.6
107.08591	65.0
109.02865	8.0
109.10155	70.2
111.08067	11.4
112.94540	4.7
115.03947	14.6
117.07041	6.7
119.08588	75.2
121.10153	33.6
123.08036	6.8
123.11720	18.9
125.09624	15.1
127.03934	25.7
127.11185	26.5
133.04996	21.2
133.10123	40.8
135.08006	6.9
135.11681	91.6
137.05975	7.6
137.09605	14.5
137.13272	6.7
139.11198	4.9
143.10655	20.1
145.04973	17.9
145.10074	9.2
147.11681	28.9
149.09694	4.9
149.13278	7.9
153.12733	10.2
155.10641	5.9
159.11688	10.4
161.13295	16.0
163.06015	15.2
163.11182	8.9
163.14830	7.0
163.33710	3.9
165.09128	8.9
167.06964	5.2
167.10704	8.2
173.13240	4.5
175.11127	6.0
181.12108	4.7
184.07339	12.4
203.17973	61.4
205.08720	4.7
221.19028	68.1
238.51547	5.0
245.18932	5.4
259.08130	18.5
271.20670	7.2
277.09137	5.9
289.21545	8.7
295.10239	15.6
299.10333	6.8
307.22708	9.7
309.20612	14.3
317.21262	8.2
335.22040	15.0
341.23245	7.0
353.23410	24.0
353.27124	4.5
361.02371	7.7
373.13724	8.6
401.13513	5.6
434.17145	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	568.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42330	8.7
53.03959	10.3
54.47118	8.8
55.05503	31.5
55.05762	10.4
56.96545	11.7
60.74030	9.3
67.05499	30.6
69.03429	22.5
69.07068	18.6
69.57053	40.4
69.57486	49.1
70.06589	25.1
79.05488	25.2
81.07072	67.6
83.04967	10.2
83.08641	12.0
85.02916	19.7
86.09700	35.3
91.05493	25.0
93.07056	57.0
95.04996	24.2
95.08583	66.8
98.21566	23.1
105.07028	30.5
107.08598	21.1
109.10151	76.0
119.08617	18.0
121.06474	17.3
121.10139	50.1
123.08090	13.7
123.11713	11.6
125.09618	17.8
127.03918	12.1
131.08563	20.9
133.10133	31.1
135.11681	27.3
135.58734	9.6
137.06000	45.4
137.09613	28.1
145.10104	17.0
147.11678	17.8
149.09625	18.7
151.11197	12.6
157.10139	11.7
157.18761	10.6
161.09685	13.8
161.13335	10.7
165.09041	14.1
167.07101	21.9
175.07501	17.7
187.03882	14.5
205.08577	19.3
225.44592	10.2
235.09598	11.3
263.11008	11.4
276.45758	10.9
299.10205	20.1
299.20065	18.3
317.21039	35.2
335.22189	100.0
353.23145	82.6
373.13968	32.8
409.68073	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	567.3143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05523	0.6
57.03431	0.7
59.05005	0.5
65.03931	0.2
67.05504	1.5
69.03429	0.3
69.07058	0.6
70.61775	0.7
71.04980	0.6
79.05505	1.2
81.03411	2.0
81.07055	2.1
83.04982	0.6
83.08625	0.6
85.02893	1.6
91.05489	1.7
93.07041	1.4
93.52099	0.2
95.04959	1.3
95.08601	1.0
96.13249	0.2
97.06552	0.5
105.07039	1.2
107.04994	0.3
107.08597	1.1
108.15306	0.2
109.06557	0.4
109.10155	1.0
109.92149	0.3
111.08107	0.4
119.08603	1.3
121.10136	1.1
125.09567	0.2
129.07004	0.6
131.08588	0.8
133.10121	0.6
145.10101	0.3
146.58992	0.2
147.11656	0.8
149.09636	0.9
152.06877	0.2
157.10147	0.7
165.12669	0.4
175.11249	0.6
183.98651	0.2
193.12312	0.9
211.13408	0.3
233.11533	0.7
251.12547	1.4
267.15979	0.6
283.15173	9.8
285.16986	0.4
307.15274	0.9
339.17719	4.7
567.31451	100.0
568.31818	1.7
572.89471	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	567.171
Annotation	CHEBI:70200
Peak:m/z	Relative Intensity
55.01867	9.9
57.03426	4.3
61.02921	3.5
65.03947	3.2
67.05498	3.4
68.99792	3.6
69.03419	5.9
70.06602	6.2
71.57789	5.6
72.08153	2.9
79.05489	4.7
81.03414	9.3
81.07065	2.9
83.04966	4.2
85.02902	16.5
86.09699	3.5
87.82280	2.7
91.05457	7.7
93.03376	7.2
95.04957	6.8
95.85847	3.1
97.02897	18.0
103.05447	5.3
105.07026	4.8
107.04950	29.1
109.02881	11.8
109.06478	3.3
111.04444	7.7
115.05450	4.4
117.07060	3.1
119.04922	16.0
121.02878	31.9
121.06504	8.4
123.04433	4.1
131.04919	10.3
133.06421	3.3
135.04424	23.5
137.02316	3.5
137.06009	4.7
139.03886	11.2
145.02846	3.1
145.06453	4.4
147.04390	30.7
149.02333	6.6
151.03888	4.6
153.01820	3.4
159.04405	10.2
159.47731	2.6
161.02379	4.7
161.05994	7.4
163.03894	9.1
165.01849	9.3
165.05501	3.7
169.06508	3.1
171.04414	5.2
173.05954	8.7
175.03915	9.6
177.01833	11.9
177.05476	7.3
179.03490	5.0
183.02896	10.7
185.05959	4.5
187.03883	5.6
189.01869	17.6
189.05487	5.3
191.03381	16.9
194.40514	2.6
195.02898	44.3
199.03911	4.8
201.01929	5.7
201.05496	10.6
203.03401	23.5
205.01311	7.4
205.04977	7.1
207.02856	32.1
213.05556	5.7
215.03387	14.3
217.04982	9.1
219.02888	53.9
221.00854	3.9
221.04411	14.3
223.02272	14.8
225.03801	20.4
227.03395	4.9
229.04958	15.4
231.02896	55.1
233.04427	21.4
237.03888	11.2
241.04974	5.8
243.02887	27.8
243.06686	3.6
245.04483	20.4
249.03929	54.8
249.06313	4.7
255.02936	8.8
257.04465	15.0
259.02402	6.4
261.03918	100.0
269.04425	11.4
271.06036	7.5
273.03912	46.5
275.05356	3.9
277.03326	3.2
279.04898	13.2
281.04694	3.0
285.04004	35.0
285.07178	5.0
287.05322	6.6
291.04974	48.7
297.04013	19.0
297.07159	22.1
299.05417	4.6
303.05106	8.3
307.06110	3.8
309.06366	17.0
311.05368	3.4
315.04990	30.0
321.07648	2.5
325.07352	3.1
327.04794	18.5
327.08374	11.7
333.06021	25.4
339.08200	20.7
343.40363	2.8
345.06247	10.0
351.08600	44.7
357.06000	5.8
363.07120	40.9
375.07175	18.6
381.09653	51.4
393.08865	44.9
399.10748	22.0
405.09686	10.7
411.09915	72.3
417.09616	14.3
423.10461	3.6
427.10080	3.8
429.11761	88.3
435.10641	11.3
441.11639	7.0
447.10788	9.2
453.11566	10.5
459.12399	8.0
461.89392	3.3
465.12192	16.0
477.11667	9.2
483.12735	27.4
495.12949	18.5
513.13733	28.7
531.14471	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	565.2988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.5
55.05514	0.8
55.23284	0.5
56.47317	0.4
57.03465	1.0
67.05501	1.8
69.03420	0.6
69.07065	0.7
71.59864	0.5
79.05502	1.8
81.03428	1.4
81.07053	2.1
83.04971	0.9
83.08625	1.0
85.22218	0.5
91.05486	2.1
93.07040	2.1
95.08614	0.8
97.06545	0.6
105.07050	0.8
107.04921	0.7
107.08604	1.1
109.06537	0.5
109.10162	1.0
117.06998	0.8
117.90690	0.5
119.08577	0.9
121.10168	1.4
123.08122	0.7
131.08568	0.8
135.11682	0.9
145.10156	1.1
153.81209	0.5
163.11188	1.2
164.41957	0.5
177.05652	0.6
178.62802	0.5
194.54907	0.5
214.48242	0.5
215.53177	0.5
233.11583	0.6
249.10965	0.7
269.12222	0.6
283.15195	10.9
339.17755	5.8
425.32013	0.5
474.56143	0.7
565.29865	100.0
566.29993	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.1553
Annotation	6-C-Xylopyranosyl-8-C-galactopyranosylapigenin
Peak:m/z	Relative Intensity
55.01858	7.7
61.02922	3.4
61.67395	2.4
65.03928	2.3
69.46571	20.9
81.03419	2.9
85.02900	6.2
107.05016	2.9
109.02873	3.1
110.66734	1.9
110.68397	2.3
117.36365	2.2
119.04951	9.6
121.02863	43.6
137.83180	2.2
145.02856	7.3
147.04436	4.2
163.03951	4.4
179.03348	2.4
187.03802	2.9
189.01869	6.9
191.03406	4.9
195.02885	7.5
199.03928	3.7
203.03401	17.6
207.02908	6.8
209.04213	2.4
215.03415	6.3
217.04991	8.7
219.02950	5.6
221.04408	5.4
227.03429	4.2
231.02855	3.1
233.04453	3.9
241.04993	4.7
243.02940	3.8
245.04495	2.6
268.07391	3.2
279.06537	5.5
280.07617	2.3
281.08054	3.3
283.06039	8.7
292.07275	3.9
293.08118	4.0
294.05276	21.0
295.06024	87.5
296.06735	9.3
297.07434	10.7
305.07947	3.5
307.06030	62.7
307.09488	4.7
308.06720	25.0
309.07397	19.5
312.26886	2.5
313.07037	5.9
317.08084	2.9
319.05991	5.5
320.06784	10.2
321.03903	4.1
321.07578	51.7
322.08340	10.9
323.09088	9.8
324.73477	2.7
325.07080	80.1
329.07953	4.4
333.07697	26.1
334.08298	6.2
335.09085	26.4
336.06293	3.8
337.07053	59.8
339.08975	6.4
345.07501	10.9
347.09137	11.9
349.07080	58.9
349.10318	2.3
350.07632	7.3
351.04852	3.0
351.08658	29.4
355.08026	10.0
361.07071	32.8
361.11096	4.4
362.07611	5.0
363.08582	24.8
365.10394	4.0
367.08264	9.7
373.07062	14.2
375.08743	15.4
377.10187	3.9
379.08154	71.4
380.08429	4.2
387.08600	6.4
389.10342	3.8
391.08145	62.8
392.08395	4.8
397.09250	28.9
401.10526	5.5
403.07971	17.3
405.09708	7.4
409.09222	80.7
415.09171	6.8
417.09573	4.2
421.09155	11.5
427.10306	100.0
429.09872	3.8
433.09314	16.3
439.10172	7.9
445.11163	19.5
451.10495	14.1
457.11188	20.1
463.09891	6.8
469.11356	24.1
475.10852	9.6
481.11465	44.3
482.11499	2.8
485.63000	2.7
493.11331	21.5
499.12439	36.9
511.12384	68.6
515.12762	5.9
529.13403	59.1
547.14435	29.1
565.15460	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	564.3384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77896	0.4
53.03945	1.5
55.01868	0.8
55.05267	0.5
55.05514	5.0
56.05038	2.8
57.03435	1.2
60.04528	3.9
60.85662	0.5
61.02918	1.4
65.03906	0.5
66.77654	0.4
67.05510	6.9
68.05037	0.9
69.03075	0.6
69.03437	9.2
69.07073	5.1
70.06078	0.7
70.06563	3.7
71.01397	0.4
71.04987	0.9
72.04523	0.6
73.02911	1.6
79.05497	3.1
81.03423	7.8
81.07053	6.3
82.06588	1.6
83.04993	0.6
83.08623	1.9
84.08149	1.9
85.02912	13.8
86.06077	2.0
86.09711	0.7
87.00835	1.6
87.04466	0.7
91.05490	1.6
93.07054	3.1
94.06574	1.0
95.07375	0.7
95.08607	5.8
96.08130	2.7
97.02892	7.9
97.10179	0.9
99.04464	3.7
101.02344	0.5
103.03944	1.8
105.01877	1.0
105.07041	1.3
107.08586	1.6
108.08123	0.4
109.02879	7.0
109.10175	1.7
110.09667	0.8
111.08126	0.4
112.07615	1.6
114.09179	3.1
115.03930	0.4
119.08618	0.5
121.10146	1.2
122.09709	0.6
123.11690	0.7
124.11231	0.8
127.03925	10.5
145.04988	1.8
153.01831	1.0
153.42757	0.4
159.02843	0.8
187.06070	1.5
188.58618	0.4
210.22214	0.6
231.05019	0.5
234.92128	0.5
236.23740	9.5
250.25368	0.9
252.27017	0.4
254.24806	3.3
257.04523	2.0
258.04904	3.0
262.25253	4.5
280.26370	40.6
286.04791	1.1
287.05289	2.1
288.05896	1.3
298.27432	36.3
312.05966	0.7
316.28488	34.5
331.18137	0.5
340.09189	0.8
340.28418	0.8
358.29568	1.2
383.11209	3.6
384.11621	10.6
384.16617	0.7
401.12241	5.0
402.12701	16.4
403.12964	1.1
417.48999	0.5
460.32690	0.6
478.33694	0.8
502.33783	1.5
520.34863	20.9
521.34985	0.7
546.32458	2.0
564.33826	100.0
565.33917	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	564.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	8.0
55.01863	11.4
55.05504	25.2
57.03433	22.7
57.07071	7.2
61.02924	18.2
66.51221	5.9
66.70342	6.0
67.05504	94.7
69.03436	10.2
69.07057	38.0
70.50541	12.6
70.50945	12.3
71.01303	6.2
71.05035	7.3
73.02966	8.0
75.04461	5.7
79.05494	77.8
81.03424	15.8
81.07060	76.8
83.04974	19.1
83.08624	16.5
85.02916	26.2
86.42242	5.7
91.03957	11.8
91.05473	68.1
93.07045	100.0
95.04967	21.3
95.08611	45.8
97.02888	19.7
97.06525	18.4
97.10164	7.4
99.38217	5.3
105.07024	63.8
107.04926	9.9
107.08598	62.7
107.09661	5.4
109.02885	8.3
109.06562	10.1
109.10147	30.6
117.07028	27.9
119.08583	49.2
121.10133	38.3
123.08057	6.1
123.11698	8.6
127.03951	9.9
129.06982	5.8
131.08546	30.8
133.10114	47.2
134.58665	6.7
135.11658	34.2
143.08598	7.7
145.10150	27.8
147.11671	29.8
149.09581	12.2
149.13214	28.5
157.10193	13.3
159.11694	32.1
161.09605	6.7
161.13243	15.3
163.11162	10.3
168.79903	6.7
171.11676	13.5
173.13257	12.2
175.14828	6.6
177.12816	6.8
189.11206	7.2
190.27684	6.7
193.12242	6.9
195.13734	7.3
241.19572	19.0
259.20551	44.5
269.17502	74.4
275.20065	14.4
333.24417	10.9
351.25220	84.9
389.86786	6.4
530.20374	5.9
564.38019	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	564.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.8
54.40309	0.4
55.01865	0.8
55.05508	2.6
56.05028	0.7
57.03434	3.0
58.06589	1.6
61.02917	1.8
67.05502	6.6
69.03076	0.8
69.03427	10.7
69.07065	2.2
69.82893	2.5
70.06592	16.9
71.04975	1.6
73.02904	1.7
74.67978	0.3
79.05482	2.3
81.03417	8.6
81.07053	7.8
82.06579	0.6
83.08611	1.0
84.08110	0.8
85.02901	15.7
85.06556	0.4
87.00829	1.8
87.04465	0.6
91.05498	0.9
93.07037	2.2
94.06541	0.4
94.31842	0.4
95.08608	5.7
96.08138	1.2
97.02892	7.6
97.08862	0.5
98.09689	1.9
99.04453	3.6
101.02422	0.7
103.03932	1.7
105.01843	0.8
105.07029	0.6
107.08600	1.3
109.02879	7.5
109.10143	3.0
110.09659	0.9
114.09153	0.9
115.03941	0.9
119.08583	0.7
121.10166	0.7
123.11705	0.8
127.03912	11.7
129.01781	0.5
138.12810	0.5
145.04973	1.8
154.08623	0.4
159.02948	0.5
187.06029	1.9
198.18530	0.6
220.49750	0.5
236.23737	1.7
247.89674	0.4
252.23224	0.5
262.25284	5.7
262.27695	0.5
264.26920	1.5
280.26355	29.9
281.26682	0.4
282.27927	0.7
298.27402	37.1
316.28452	39.0
317.28815	0.7
340.28610	1.1
358.29596	1.6
478.33734	1.0
502.34036	2.1
505.59274	0.4
520.34778	22.0
521.35358	0.6
546.32501	0.9
564.33771	100.0
565.34192	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	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.6
55.05515	38.6
57.03425	16.4
67.05172	7.5
67.05505	89.0
69.07071	30.0
70.12440	24.0
71.05002	6.6
73.51187	4.3
79.05494	53.7
81.03419	17.2
81.07066	100.0
83.04985	13.3
83.08627	27.2
85.02898	7.0
91.05485	50.7
93.07056	61.0
95.04956	18.2
95.08605	57.5
97.06528	7.1
97.10174	18.4
98.20873	5.6
99.08086	5.8
102.45643	5.1
105.07028	40.8
107.04942	5.9
107.08607	44.9
109.06544	9.7
109.10154	36.3
111.08127	7.7
115.05396	7.0
117.07025	17.0
119.08604	45.2
121.06490	7.4
121.10139	34.6
123.08089	5.5
123.11706	11.5
125.09615	13.5
129.07042	12.3
131.08589	35.0
133.10136	28.1
135.11743	24.2
135.12624	4.7
137.09654	5.2
143.08571	17.1
143.15564	4.6
145.10123	26.6
147.11688	26.7
148.11961	6.5
149.09619	8.9
149.13275	11.2
153.12613	5.7
155.08530	10.1
157.10165	11.5
159.11697	18.6
161.13252	9.0
169.10162	11.5
171.11690	15.5
173.11800	6.4
173.13219	9.1
175.11116	6.5
183.11662	7.3
185.13246	9.3
187.14822	6.5
189.11200	8.6
193.12306	6.4
197.13301	10.4
211.13312	16.6
227.12639	9.6
229.14281	6.0
259.20615	5.2
261.22232	6.2
272.67047	4.5
277.21405	7.6
285.16867	8.3
320.34540	5.1
335.25662	14.0
435.32269	8.7
436.94101	5.2
453.33569	10.0
471.34244	9.3
509.36172	6.8
513.83997	5.3
521.48047	5.4
527.37268	31.0
545.38202	93.8
563.39435	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97557	4.7
53.03943	7.2
55.01855	10.0
55.05516	32.7
56.59410	4.7
57.03425	13.3
57.07084	7.3
58.09188	4.3
67.05174	6.4
67.05507	92.8
68.05830	6.4
69.03422	7.8
69.07072	26.6
69.33687	34.2
69.34105	17.5
71.04991	8.6
79.05492	53.1
81.03426	23.5
81.07059	87.0
82.07402	5.9
83.04977	17.5
83.08604	23.0
91.05478	49.4
93.07052	65.4
94.09120	4.8
95.04967	17.3
95.08607	57.6
97.06522	12.4
97.10175	21.9
98.21455	11.0
105.07029	54.9
107.04985	5.6
107.08585	50.9
109.06517	8.6
109.10158	35.3
111.08088	9.5
111.51612	5.4
117.07029	16.0
119.08587	35.7
120.08940	6.0
121.10158	28.9
123.08076	7.8
123.11716	10.9
125.09631	14.7
129.07011	16.0
131.08572	34.1
132.08893	5.6
133.10141	34.5
135.11693	20.5
136.99675	4.6
143.08563	10.7
145.10104	24.6
147.11723	25.3
149.09619	6.2
149.13266	10.2
151.11209	6.6
155.08546	7.8
157.10120	18.4
159.11725	20.2
161.13301	9.2
163.11292	7.7
173.13243	14.6
175.11096	6.3
177.12871	7.9
183.11687	6.2
189.11125	6.9
193.12242	18.5
197.13193	6.2
211.13208	10.3
227.12779	6.9
229.14282	10.7
256.52460	5.6
261.22055	8.5
285.17044	10.2
329.41327	5.7
335.25671	9.1
409.86719	5.2
427.54071	5.7
433.29965	6.4
435.32407	6.4
453.33493	15.7
471.34451	12.7
514.04675	5.5
527.37354	50.7
545.38342	100.0
563.39136	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.4
52.09497	3.0
53.03936	6.6
55.01865	6.9
55.05511	37.0
57.03424	10.9
57.07067	5.2
65.03925	3.7
67.05507	91.0
69.03424	5.0
69.07065	28.4
69.86837	13.7
71.04988	7.1
79.05490	46.8
81.03410	18.6
81.07056	100.0
82.07378	3.0
83.04972	14.8
83.08633	29.4
85.02917	5.1
85.06536	5.3
85.13353	2.6
91.05476	54.4
93.07048	73.9
95.04960	19.8
95.08611	64.2
97.06523	9.9
97.10149	18.2
105.07027	55.5
107.04936	8.3
107.08602	44.7
109.06535	6.6
109.10159	32.3
111.04430	7.8
111.08070	10.8
117.07024	22.3
119.08584	40.4
121.06433	6.6
121.10159	30.2
123.08069	7.4
123.11670	14.6
125.09644	14.7
129.06995	12.7
131.08568	33.3
133.06419	3.2
133.10130	39.6
135.08084	3.9
135.11691	26.6
141.07002	3.9
142.07767	4.5
143.08565	16.9
145.10120	31.1
147.11696	19.5
149.09593	9.0
149.13228	8.0
151.11174	6.5
153.12744	5.3
155.08568	9.7
157.10106	20.9
159.11707	20.2
161.09634	3.6
161.13246	13.2
163.11111	5.5
163.14874	3.4
165.12738	3.3
169.10133	11.1
171.11678	13.9
173.13251	18.4
175.11122	7.1
175.14806	6.4
177.12827	3.7
179.14345	4.1
181.10017	3.3
181.12250	6.0
183.11664	10.2
185.13300	8.3
187.14824	8.0
189.11226	7.2
193.10297	4.5
193.12251	17.4
195.11726	7.4
195.13710	3.6
197.13303	8.9
199.14908	5.2
206.28941	3.0
207.11719	4.2
209.13269	6.5
211.13232	20.4
211.15022	4.1
221.13277	4.5
221.15283	3.9
223.14746	6.4
227.12756	6.5
229.14244	6.5
233.13254	4.7
235.14890	4.4
254.75385	2.8
261.22165	11.2
267.15872	5.8
277.21790	5.7
279.23260	4.4
283.15192	3.7
285.16888	12.4
285.22003	5.9
299.23676	3.4
301.25259	3.5
303.23090	4.8
312.83487	3.1
335.25827	19.4
351.25058	5.3
359.25705	3.7
424.57254	3.3
435.32477	9.8
453.33560	10.3
471.34543	11.0
473.32666	4.5
487.34207	5.5
489.35794	6.9
527.37384	34.6
528.37567	4.1
545.38281	92.8
563.39197	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3942
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	7.2
55.01871	8.2
55.05507	35.5
57.03437	11.8
57.07074	6.5
65.03939	4.7
67.05501	90.3
69.03434	6.2
69.07063	26.2
71.04982	8.0
71.08637	3.1
73.75710	2.4
79.05488	50.3
81.03421	18.4
81.07053	87.5
81.58955	2.5
83.04978	12.5
83.08611	27.7
85.02898	8.2
85.06526	6.6
91.05479	45.9
93.07041	56.4
95.04969	20.2
95.08603	52.0
97.06519	12.8
97.10168	13.5
98.20713	4.5
99.08080	6.8
100.55238	2.1
105.04546	2.7
105.07019	46.3
107.04919	5.4
107.08588	40.1
109.06493	6.0
109.10152	38.9
111.04469	4.9
111.08083	8.5
111.11753	2.5
115.05484	3.9
117.07018	13.4
119.08578	44.1
121.06488	3.3
121.10126	31.1
123.08062	7.1
123.11707	10.1
125.09633	11.7
126.95716	2.1
129.07007	11.5
130.07776	3.9
131.08557	28.5
133.06456	3.4
133.10121	35.3
135.08084	3.3
135.11673	20.5
137.09599	5.5
137.13184	3.3
139.11159	2.5
140.63585	2.2
141.06946	3.1
142.07745	3.9
143.08543	11.5
145.10101	26.1
147.08078	5.3
147.11681	16.5
149.09610	5.5
149.13223	11.7
153.12737	4.8
155.08575	8.7
156.09357	3.6
157.10126	18.3
159.11696	19.6
161.09573	4.3
161.13252	10.1
163.11206	8.4
163.14825	3.6
167.08542	2.5
169.10175	7.6
171.11710	8.4
173.09599	5.1
173.11839	4.7
173.13271	14.8
175.11162	5.3
175.14864	5.4
181.10159	4.8
181.12241	3.2
183.11755	7.3
185.13268	7.8
187.14830	8.2
189.11279	6.8
193.12210	14.1
195.11671	4.5
197.13272	7.6
199.14861	5.0
203.14281	2.6
209.13283	5.7
211.13237	27.2
213.16426	2.5
221.13353	4.2
227.12790	9.3
229.14294	4.8
243.21172	3.1
245.13287	2.4
261.22147	12.5
267.15952	2.9
269.17508	4.2
276.18744	2.6
277.21866	2.8
279.23090	3.5
283.15408	5.1
285.16910	19.5
285.22205	5.3
301.25345	3.7
303.23172	9.5
317.24789	6.4
335.25919	20.0
351.25528	3.9
359.25702	2.9
373.27328	2.7
417.31625	4.5
433.29837	2.4
435.32550	11.3
451.30698	2.5
453.33392	13.8
463.30576	3.3
471.34702	10.6
473.32642	5.6
475.21692	2.3
487.33963	5.0
489.35583	4.9
509.36417	4.7
517.22247	2.4
527.37378	39.0
527.45117	1.8
545.38300	100.0
547.35828	2.5
563.39142	77.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51699	1.3
53.03940	3.6
55.01872	3.1
55.05519	12.5
57.03434	13.5
59.04968	1.9
67.05510	24.5
69.03418	2.9
69.07078	7.8
70.03085	7.5
70.47292	1.2
71.04980	3.3
79.05492	20.1
81.03420	79.7
81.07058	22.5
83.04980	11.1
83.08627	22.7
85.02903	13.9
85.06550	2.2
91.05479	29.9
93.07041	16.1
93.91058	1.4
95.04975	28.3
95.08606	9.4
97.02905	3.3
97.06544	3.8
97.10178	6.6
99.04443	1.6
99.08131	1.9
105.04536	1.3
105.07040	21.0
107.04946	7.6
107.08589	10.0
109.06537	6.2
109.10165	6.9
111.04465	2.3
111.08086	8.6
114.59365	1.3
115.05407	1.8
117.07040	2.3
119.08591	19.4
121.06516	2.6
121.10166	8.4
123.08073	2.8
123.11684	1.8
125.09634	5.2
129.07005	11.1
131.08597	14.4
133.06499	3.8
133.10147	13.3
135.08025	2.1
135.11664	1.4
137.09674	2.3
142.07779	2.7
145.06534	2.7
145.10132	3.1
147.08044	3.6
147.11703	12.0
149.09625	7.3
151.11159	3.4
153.09082	1.8
157.10120	13.2
161.09680	1.5
163.11174	2.4
165.12767	3.4
175.11185	11.7
193.12262	33.1
195.11739	2.5
211.13319	24.1
223.13239	2.1
227.12820	2.1
229.14423	2.6
249.14645	2.9
253.14362	2.2
267.15924	100.0
273.14893	4.5
283.15247	1.7
285.16989	24.4
291.19604	4.8
317.16052	2.6
339.22897	1.5
349.21774	2.6
365.23285	9.7
367.22729	11.2
385.23724	10.2
403.24805	3.6
433.25864	9.7
441.26303	5.8
459.27448	58.0
477.28513	50.3
509.27655	3.1
527.28503	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	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
53.63087	0.3
55.01863	1.0
55.05513	1.9
56.96563	0.4
57.03419	1.3
58.47959	0.4
61.02913	0.9
62.06070	0.6
63.81407	0.3
65.03932	0.5
67.01830	0.3
67.05515	2.8
69.03430	5.0
69.07059	1.3
69.39969	0.4
69.56873	2.7
70.06593	2.4
71.04974	0.5
71.07376	0.4
71.08636	7.4
72.08164	2.1
73.02919	0.9
79.05485	3.5
81.03426	2.0
81.07047	7.5
83.04962	0.5
83.08627	0.6
84.08133	1.1
85.02908	6.8
86.06065	20.7
86.09726	0.6
87.04457	1.0
91.03940	0.6
91.05472	1.1
93.07046	1.9
95.04964	1.0
95.08604	11.7
96.08134	4.4
97.02905	3.0
97.06522	1.3
98.06075	1.2
98.09692	6.5
99.04451	1.4
99.08092	11.2
105.07034	2.9
106.07362	0.4
107.08601	1.4
108.08125	1.2
109.02867	1.7
109.06509	0.7
109.10141	0.7
110.09673	0.6
114.09187	0.9
116.10731	50.4
119.08566	0.9
121.10154	0.8
122.09673	1.8
123.08069	10.7
124.07593	1.7
126.09194	0.4
127.03899	4.0
131.08572	0.6
133.06483	0.5
133.10188	0.6
134.09633	0.4
135.11664	0.6
138.09108	0.5
140.10699	0.7
141.09116	1.1
142.08632	5.6
142.12303	1.4
143.10690	2.6
145.04984	1.9
145.10107	0.6
147.11624	0.3
149.09618	0.4
151.07571	3.8
152.10623	0.4
153.01796	0.4
154.12280	0.4
154.15910	0.8
159.10170	0.8
159.11615	0.5
166.15945	0.9
167.10733	0.7
175.40277	0.4
178.15921	0.5
183.10120	0.5
187.09607	0.6
195.10175	0.6
196.16991	2.6
206.15430	0.5
208.16954	0.6
213.11200	0.5
214.18018	28.6
220.17050	0.8
222.18561	0.7
224.16454	1.4
225.11398	0.4
229.04973	0.4
231.12201	1.0
238.17976	2.5
240.19594	4.3
242.17491	3.0
243.12320	1.1
251.52196	0.4
256.19080	8.0
256.21671	0.7
257.04422	11.2
258.05008	2.8
259.05450	0.5
261.13364	3.4
266.17569	4.3
284.18576	5.8
285.04095	0.5
285.09970	0.5
286.01871	0.5
286.04767	5.9
287.05499	13.7
288.05783	0.8
302.19623	100.0
303.19922	1.3
369.09515	0.6
376.23303	3.7
382.25903	2.5
383.11252	31.7
384.12018	1.7
385.11853	1.3
386.12109	1.8
399.10672	2.0
400.11124	7.8
400.15860	0.6
400.26935	27.1
401.12305	50.0
464.24921	21.8
464.31702	0.7
485.59262	0.4
562.32330	12.6
563.17969	1.9
563.31842	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52393	0.4
53.03923	0.6
55.01843	0.9
55.05507	2.1
55.05699	0.7
56.04976	0.5
56.96532	0.9
57.03374	2.0
60.04471	0.4
61.02876	1.2
62.06044	0.5
62.62523	0.4
67.05444	3.3
68.71249	0.4
69.03432	6.4
69.07007	1.9
69.54848	3.5
70.06586	2.0
71.04925	1.6
71.08630	5.2
72.08150	2.3
73.02879	0.9
79.05495	4.0
81.03419	2.3
81.07053	10.4
82.06563	0.6
83.04951	0.6
84.08072	1.3
85.02905	7.5
86.06067	23.5
86.09664	1.0
87.04423	0.9
91.05437	1.3
93.07039	2.3
94.06513	1.0
95.04897	1.2
95.08603	8.5
96.08130	5.0
97.02905	3.0
97.06452	1.2
98.06029	1.0
98.09695	7.7
98.97523	1.6
99.04478	2.2
99.08089	11.6
105.07034	3.4
107.04927	0.5
107.08582	2.1
108.08115	2.1
109.02888	2.0
109.06448	1.2
109.10103	0.7
110.09666	0.9
114.09090	1.2
116.10729	53.3
116.98566	1.3
119.08535	1.5
120.08047	0.5
121.10095	1.0
122.09594	1.7
123.07221	0.8
123.08063	13.1
124.07585	2.7
125.05927	0.4
126.09063	0.6
127.03915	4.5
127.09817	0.5
128.92778	0.4
128.98575	0.8
131.00102	0.8
133.06424	1.2
133.10121	0.7
134.09554	0.5
134.99602	1.2
135.11610	0.6
137.09732	0.4
138.09108	1.1
140.10654	1.1
141.09010	1.3
142.07596	0.5
142.08630	7.1
142.12216	1.5
143.00110	0.6
143.10655	2.4
145.04916	1.3
145.10083	1.1
147.02190	0.5
149.01151	1.4
150.12781	0.5
151.07547	5.5
153.01822	0.9
158.99582	0.5
159.11629	0.8
161.01173	0.6
166.08614	0.8
167.10646	0.8
169.08524	0.5
169.12276	0.7
177.00690	0.7
183.10190	0.9
195.10204	0.7
196.16945	0.7
200.16470	2.2
203.02242	1.8
213.11195	0.9
214.18034	7.5
217.68442	0.4
222.18562	0.8
224.16385	1.0
231.12227	0.9
237.02623	0.9
240.19615	5.7
242.17480	3.2
243.12491	0.5
248.16458	0.5
257.04440	8.9
258.05133	1.4
261.13406	4.0
263.04370	0.6
266.17499	7.2
284.18588	8.6
286.04745	5.0
287.05481	10.6
296.25827	5.6
302.19617	100.0
303.19852	1.6
305.05502	1.1
306.05957	0.6
311.05579	0.6
314.26843	6.0
323.60474	0.5
324.06943	0.5
355.11563	0.6
356.14658	1.2
365.07755	0.8
366.08264	1.0
374.15756	0.8
376.23358	0.8
382.25906	1.7
383.11243	31.8
384.11642	1.2
385.11798	0.6
386.12350	1.7
400.21518	0.8
400.26935	28.1
401.12308	45.8
446.23755	0.9
464.24945	26.0
465.25470	0.5
502.20749	1.7
562.32098	16.4
563.17224	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10343	0.4
53.03910	1.4
55.01846	1.0
55.05511	4.0
56.05000	1.6
56.69386	0.4
57.03411	1.3
57.07045	1.0
60.04498	0.8
61.02891	1.6
62.01505	0.4
65.03908	1.3
67.05511	8.2
68.04994	1.0
69.03431	8.4
69.07069	4.2
69.48571	3.8
70.06590	2.7
71.04964	1.7
72.08132	0.6
73.02913	2.0
79.05489	2.9
80.05038	2.9
81.03420	7.2
81.07069	3.9
82.06588	2.5
82.06979	0.6
83.08581	1.1
83.19601	0.4
84.08110	1.7
85.02908	11.8
86.09676	1.6
87.00816	0.9
87.04438	0.6
91.05453	1.5
93.05789	0.6
93.07037	2.8
94.06570	3.8
95.04951	0.4
95.08603	4.3
96.04446	0.5
96.08122	2.5
97.02390	0.5
97.02888	5.3
97.10126	1.2
98.09680	0.6
99.04456	2.7
103.03902	1.1
103.40856	0.4
105.01847	0.5
105.06992	1.3
106.06525	1.7
107.07293	1.2
107.08557	1.6
108.08126	2.3
108.42213	0.4
109.02897	6.0
109.10117	1.6
110.06040	0.5
110.09644	1.6
111.04469	0.4
112.07599	2.0
115.03920	0.6
119.08549	0.8
120.08112	2.2
121.05270	0.4
121.10118	0.8
122.09625	1.6
124.11170	1.4
126.09161	0.7
127.03914	7.9
133.10123	0.5
135.11723	0.4
136.11185	0.5
138.09135	2.1
138.12730	1.1
139.03816	0.6
143.09410	0.6
145.04948	1.4
145.10124	0.4
152.14371	0.7
153.01836	18.4
154.02141	0.8
155.02309	0.6
156.10164	3.3
166.12181	0.6
170.11717	0.4
187.05969	1.3
187.07533	5.0
188.07921	0.6
189.05463	3.1
194.19035	0.5
213.37566	0.5
222.22163	1.2
234.22145	1.3
246.22258	2.9
248.23738	2.3
250.25298	3.9
258.22260	0.6
260.23709	3.8
278.24799	17.2
282.05286	3.4
283.05875	1.4
296.25848	60.6
297.04193	0.5
297.26266	0.8
311.05484	11.6
312.05923	0.7
313.06119	1.0
314.06387	0.9
314.26901	51.3
315.27255	0.8
324.06226	0.5
338.34250	0.4
339.08652	11.6
341.09134	0.6
355.11819	0.6
356.28061	2.0
383.11249	24.6
384.11600	4.0
385.11819	2.9
386.12128	5.8
401.12329	42.5
476.32263	1.0
500.32281	0.7
518.33270	33.1
519.33514	0.7
562.32269	100.0
563.17889	2.7
563.32776	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3227
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57609	0.3
53.03907	1.4
55.01839	1.2
55.05518	2.4
55.26979	0.3
56.05006	0.5
57.03429	1.8
58.06583	0.7
60.04504	0.5
61.02899	1.2
67.05505	3.1
68.05002	0.8
69.03433	8.4
69.07065	2.8
69.37627	3.9
70.06599	4.2
71.04961	1.4
72.08118	1.1
73.02889	1.5
79.05499	1.9
81.03426	6.7
81.07056	3.2
82.06538	1.6
83.08598	0.7
84.08118	0.8
85.02909	12.0
86.09663	1.6
87.00809	0.5
87.04442	0.5
89.02399	0.4
91.05435	1.5
93.07051	2.5
94.06522	1.7
95.04964	0.4
95.07290	0.5
95.08604	2.4
96.08128	4.7
97.02899	5.6
98.07193	1.7
98.09684	0.5
99.04474	2.8
102.05495	0.4
103.03940	1.8
105.07023	1.2
107.07378	0.4
107.08557	1.5
108.08131	2.5
109.02237	0.4
109.02879	5.7
109.06493	0.4
109.08882	0.8
109.10135	0.9
110.09647	1.7
112.07581	0.5
115.03915	0.4
116.98615	0.3
118.20770	0.4
119.08560	0.8
120.08132	0.9
121.10117	0.9
122.09637	1.9
127.03098	0.7
127.03928	8.1
127.09903	0.5
133.10075	0.5
136.07556	0.7
136.11191	0.8
138.05496	0.3
138.09114	0.5
140.10667	1.6
145.04945	1.3
148.11160	0.5
149.01147	0.6
157.13361	0.6
177.00771	0.5
178.15930	0.5
182.04890	0.5
183.58253	0.3
184.04500	0.4
187.05969	1.5
219.01826	0.4
228.57571	0.4
231.10213	0.4
232.20352	0.4
234.22253	1.1
236.20013	0.5
250.21797	0.5
252.23230	1.5
260.23776	4.4
262.21466	0.5
262.25537	0.6
267.09021	1.4
268.10287	0.9
276.23224	2.3
278.24805	23.4
280.26358	2.3
285.10083	1.4
296.25851	24.8
309.09937	0.5
311.29803	0.4
314.26907	52.2
315.27344	0.7
341.64929	0.4
356.27969	2.5
374.18573	0.5
400.10953	0.5
401.12280	0.9
476.32047	0.9
485.16962	1.0
500.32364	0.6
518.33295	27.9
519.33264	0.5
560.25909	0.4
561.61444	0.4
562.32275	100.0
563.32892	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	561.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	10.1
55.05514	40.9
57.03440	7.8
61.06236	6.6
67.05511	93.9
68.62975	7.1
69.07063	29.1
69.35187	74.3
71.08614	8.3
75.98925	7.6
79.05491	51.4
79.85437	6.0
81.07059	93.0
83.04978	13.5
83.08639	14.0
91.05474	42.9
93.07055	63.9
95.04960	17.1
95.08599	64.3
97.06516	10.3
97.10184	24.0
100.39855	6.8
105.07039	51.4
107.04984	13.3
107.08572	48.6
109.06554	8.5
109.10132	32.2
117.07026	21.6
119.08588	27.6
121.10126	25.9
123.08099	8.8
125.09642	12.5
129.06975	15.5
131.08572	23.5
133.10144	23.9
135.11685	18.6
139.87436	7.2
143.08549	12.1
145.10152	31.2
147.11700	17.3
157.10115	16.1
159.11685	16.0
161.13254	10.6
163.11169	11.1
171.11673	7.4
172.66342	6.7
173.09773	6.8
180.49776	7.1
227.12747	19.3
233.98247	7.5
259.20737	6.8
270.74661	6.5
275.20139	12.9
293.21140	9.9
299.23654	12.0
299.26797	6.8
301.21646	6.9
346.69952	7.3
416.96957	6.3
451.32004	12.2
487.34161	12.6
525.35510	19.7
543.36755	100.0
561.38092	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
54.85809	3.5
55.01859	10.1
55.05296	3.4
55.05511	36.0
57.03426	9.1
57.07074	7.7
67.05505	81.6
69.07075	29.9
71.04991	10.8
79.05495	63.3
81.03432	18.7
81.07064	75.1
81.39467	3.5
83.04980	15.8
83.08625	19.8
85.02901	5.4
85.06530	3.7
91.05479	45.2
93.07045	70.7
95.04964	16.7
95.08613	41.8
97.06508	8.2
97.10174	18.1
98.20616	6.7
99.08077	5.1
103.05428	4.0
105.07029	38.5
107.04930	8.8
107.08598	47.9
109.06489	4.9
109.10154	27.5
111.04429	12.0
111.08074	9.4
113.06071	3.9
116.64034	2.9
117.07021	21.0
118.94629	3.7
119.08593	31.4
121.06506	6.9
121.10153	33.9
123.08092	6.5
123.11700	9.6
125.09641	9.4
129.06987	11.2
131.08571	25.4
133.10121	24.2
135.08040	5.3
135.11685	22.7
137.09590	6.6
139.11192	5.2
143.08513	10.1
143.93192	3.3
145.10124	29.7
147.08104	3.9
147.11687	11.3
149.09657	5.0
149.13275	9.0
153.12724	5.4
155.08583	4.2
157.10126	7.6
159.11644	16.5
161.13272	6.4
163.11182	22.1
171.11688	9.9
173.13257	7.7
177.12767	3.5
181.12193	7.0
183.11777	4.2
185.13310	5.4
187.14790	8.2
191.10638	5.7
197.13246	3.7
209.11732	10.0
227.12798	28.6
229.53340	4.6
245.13815	11.0
259.20538	5.5
261.22101	10.3
267.15875	5.4
269.17310	4.8
275.20135	6.1
277.21652	5.1
283.15338	15.3
290.34915	3.6
293.20969	7.8
299.23816	5.5
315.23163	7.4
317.24878	5.1
333.24521	4.2
335.25790	9.5
433.30655	6.0
451.31989	11.1
463.30515	5.7
469.33105	12.5
487.34259	3.8
525.35620	12.7
543.36810	72.1
561.37952	100.0
562.37927	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.5
54.39846	1.9
55.01854	6.0
55.05508	30.9
57.03432	6.9
57.07079	2.1
67.05503	51.1
69.03420	3.6
69.07076	15.8
70.61784	1.6
70.80152	2.9
70.80489	3.4
71.04984	4.5
71.08627	2.0
71.68560	1.7
79.05487	34.8
81.03420	9.0
81.07056	48.9
83.04976	12.1
83.08622	23.5
84.99670	1.7
85.02897	3.1
85.06525	3.3
91.05476	31.0
93.07043	35.7
94.16455	2.1
95.04971	11.1
95.08607	32.3
97.02908	1.7
97.06532	4.9
97.10165	20.0
99.08098	1.9
105.07021	27.8
107.04974	5.2
107.08589	27.8
109.06488	3.6
109.10152	20.8
111.04438	7.2
111.08086	6.7
117.07009	12.9
119.08585	26.0
121.06534	3.6
121.10136	19.8
123.08038	4.1
123.11711	5.3
125.09630	21.0
128.06218	2.0
129.06978	10.6
131.08562	24.2
133.06558	3.1
133.10136	17.1
135.08145	2.5
135.11671	15.6
137.09566	2.1
143.08553	8.9
145.06525	1.9
145.10112	19.9
147.11691	14.5
149.09607	4.6
149.13261	6.4
151.11116	2.0
153.09181	2.1
153.12706	5.9
155.08560	6.5
157.10147	8.2
159.11684	10.7
161.09679	2.9
161.13271	6.3
163.11180	9.9
169.10135	3.8
171.10338	2.6
171.11713	8.0
173.13289	9.3
175.11240	2.2
177.12701	2.3
181.10109	3.7
181.12218	4.4
183.11682	4.8
185.13254	6.2
187.14798	4.5
189.11208	12.5
189.12729	3.1
191.10684	5.3
193.12320	3.0
195.08038	2.0
195.11627	2.1
197.13254	3.6
199.14738	4.8
201.35876	1.9
202.53961	2.3
209.11676	2.8
211.07875	1.9
211.13220	2.5
213.16388	2.7
223.64290	1.8
227.12770	26.1
259.20493	2.8
261.22220	8.2
267.15872	2.9
273.22113	1.9
275.12930	2.0
275.20178	5.1
277.21616	4.9
283.15399	12.3
293.21130	6.0
299.23773	11.8
301.21603	2.7
313.43335	1.9
315.19827	2.3
315.23178	4.6
317.24792	7.2
333.24323	4.8
335.25879	9.9
355.26407	1.9
428.20380	2.0
433.30991	7.3
451.32025	11.8
461.85233	2.0
469.33417	10.3
487.34024	10.2
515.37457	2.9
517.35156	2.9
525.35730	23.1
543.36798	100.0
561.37872	69.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.5
55.01866	9.6
55.05300	2.8
55.05515	26.1
57.03429	7.3
57.07073	3.4
65.03931	7.3
67.05502	71.1
69.03445	3.0
69.07066	24.4
71.01392	2.3
71.04989	5.4
71.08677	2.0
71.34669	2.6
77.84699	2.4
79.05495	54.0
81.03414	6.4
81.07054	67.5
83.04967	10.7
83.08611	18.1
85.02901	3.1
85.06552	4.3
91.05482	42.3
93.07043	69.6
95.04980	15.3
95.08605	52.3
97.02889	2.4
97.06527	9.6
97.10173	14.1
99.08098	2.7
105.07022	34.5
107.04955	8.7
107.08594	38.5
109.06509	6.7
109.10152	23.6
111.04440	5.2
111.08118	5.6
111.11761	3.8
113.17514	2.1
117.07015	18.7
119.08583	29.3
121.06503	4.8
121.10146	41.1
123.08015	3.3
123.11729	5.5
125.09644	9.2
129.06998	7.6
131.08591	19.7
133.10136	20.4
135.08096	2.4
135.11690	32.7
137.09618	3.1
139.11183	8.4
143.08554	4.7
145.10135	26.9
147.08095	4.0
147.11691	11.9
149.09666	5.8
149.13344	5.3
151.11110	5.9
153.12727	4.0
155.08598	3.2
157.10143	4.4
159.11665	13.6
161.13263	6.5
163.11185	21.8
169.10158	5.4
171.11742	6.5
173.09653	3.3
173.11937	2.3
173.13295	8.1
175.11172	3.1
175.14857	3.4
181.12257	6.9
183.11790	2.9
185.13300	5.0
187.14789	4.8
189.11229	6.7
189.12808	3.3
191.10738	3.7
198.66052	2.8
199.14824	4.9
201.16489	3.4
209.11800	5.6
223.14886	4.2
227.12805	36.3
245.13899	19.1
257.74142	2.2
259.20755	2.6
261.22174	8.9
267.15891	4.6
269.02762	2.8
275.20142	6.4
277.21637	3.0
283.15472	15.9
293.21072	4.9
299.23648	6.2
300.40808	2.5
301.21594	3.8
317.24811	5.6
333.24466	2.7
335.25806	15.0
433.31100	4.5
445.29349	3.3
451.32190	9.9
463.30109	4.7
469.33246	7.7
487.33951	6.5
505.36627	2.3
515.37183	3.4
525.35938	14.4
543.36816	79.1
561.37860	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.05501	4.7
66.43018	1.6
67.05493	12.4
69.03437	12.0
69.07063	4.8
69.32443	16.5
70.06588	4.2
70.52032	1.7
71.04984	1.7
77.03967	2.3
79.05492	8.5
81.07059	9.8
83.04984	5.5
84.08155	2.1
84.60441	1.6
85.02901	2.8
86.09699	2.9
91.05470	9.7
93.07046	20.9
95.04965	5.5
95.08607	24.9
97.02897	3.9
98.20712	3.1
105.07035	8.1
107.08590	30.7
109.06530	6.2
109.10168	5.8
111.08080	10.6
115.03945	1.7
117.07044	3.2
119.08595	7.0
121.06511	5.4
121.10132	2.3
123.08125	7.7
123.11675	2.1
129.07024	2.3
131.08592	3.3
131.72827	1.4
133.06506	5.7
133.10106	3.8
135.08072	3.6
137.06027	1.9
139.07591	4.3
142.07817	1.7
143.08577	4.6
145.06480	3.1
145.10101	3.2
147.04355	1.6
147.08041	2.2
151.07553	2.9
155.08563	2.9
157.10199	2.6
159.08060	5.8
161.09634	5.9
163.11209	2.3
169.08669	1.5
169.10123	2.0
171.08063	6.0
171.11710	2.0
173.09671	4.3
175.03740	3.9
175.11238	1.8
179.08607	2.3
179.10678	3.7
181.10194	4.7
183.08078	1.6
183.11684	3.1
185.05988	1.9
185.09674	6.0
187.07590	3.9
187.11102	2.5
189.09097	4.0
191.10658	2.0
194.11031	1.6
195.08037	2.1
195.11629	3.4
197.09663	5.5
197.13412	1.9
199.07584	5.0
199.11200	4.4
201.09082	3.9
206.10936	3.3
207.11713	4.0
209.09668	6.8
209.13280	3.9
210.10463	2.4
211.11208	5.8
213.09131	4.7
213.12700	1.9
215.10635	3.2
216.07883	2.0
217.08627	2.2
221.09612	3.1
221.13219	2.5
222.10429	4.8
223.07629	2.2
223.11107	9.3
225.09125	7.7
225.12782	5.2
227.10721	3.0
231.11772	2.1
232.07156	2.4
233.09563	1.8
233.13374	3.0
235.11160	4.7
235.14847	2.4
237.02870	1.7
237.09157	2.1
237.12776	5.6
239.10768	6.2
239.14372	4.2
240.11482	10.8
241.08545	3.2
241.12270	5.1
243.10130	2.0
243.13916	2.2
244.23752	1.6
245.13339	1.7
247.11285	2.4
248.11992	3.3
249.09138	2.1
249.12814	5.1
251.14380	3.0
252.11469	1.9
253.12285	4.4
255.13902	2.6
257.11710	5.3
260.11969	2.3
261.09125	1.8
261.12735	5.6
261.16431	3.5
262.13519	3.9
263.10641	3.8
263.14362	10.6
265.12277	4.5
265.15811	3.3
267.10129	2.3
267.13812	2.7
268.10950	1.7
269.15433	2.1
273.12756	4.1
275.10629	2.8
275.14087	2.2
277.12326	3.6
277.15948	5.5
278.16769	2.5
279.13809	5.5
279.17355	3.1
281.11972	4.2
281.15363	8.6
283.13254	2.5
287.14310	3.2
289.15860	4.9
291.13910	7.9
291.16919	1.8
293.15405	4.3
295.13504	2.6
295.16968	4.4
296.17804	3.6
305.15396	6.2
306.16165	12.6
306.44385	1.6
307.13513	2.9
307.16977	6.2
309.14841	5.1
315.13947	2.1
319.13208	3.1
322.15533	2.3
323.16586	10.5
324.17181	15.7
325.18018	2.7
331.16971	2.5
340.16995	2.1
341.17529	5.1
342.18237	17.2
351.10385	3.4
357.16992	2.3
367.15491	3.5
379.19150	2.0
385.17441	4.5
386.17136	4.4
399.13873	3.7
399.23163	2.0
403.17926	7.7
403.22919	2.1
421.23822	2.8
427.23157	2.9
433.23746	2.3
443.22058	2.3
445.23792	7.9
461.23181	4.6
463.24829	15.1
479.24103	7.6
481.25800	14.1
489.22427	3.2
497.25577	2.7
499.27072	3.7
507.23557	8.8
525.24762	10.3
543.25897	83.0
544.25952	2.7
561.19312	100.0
562.19476	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	561.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24216	2.4
50.47123	2.4
54.38789	2.6
55.05515	3.1
61.87438	2.2
63.37275	2.7
67.05499	9.3
69.03415	11.3
69.07059	5.8
69.25158	28.8
69.62727	2.4
70.06585	5.8
71.04980	6.6
79.05493	6.7
81.07041	8.8
84.08112	3.6
85.02905	7.5
86.09693	7.1
86.16991	2.5
87.36954	2.8
91.05485	9.9
93.07030	21.0
95.04969	5.5
95.08624	22.7
97.02885	8.2
98.20652	5.2
105.07034	8.2
107.08607	31.3
109.06516	5.8
109.10150	8.6
111.08083	8.4
113.02118	4.7
119.04919	3.3
119.08606	3.2
121.06487	8.7
121.10133	3.7
123.08074	6.7
124.07434	3.0
131.08635	3.2
132.70692	2.8
133.06506	3.2
133.10118	5.9
135.08034	6.8
136.07549	3.0
139.07573	6.6
143.08429	3.4
147.04359	4.5
147.08034	2.9
149.09679	3.0
157.10173	3.2
160.07373	2.6
161.09608	7.1
163.07513	3.2
165.09050	3.4
171.08083	6.0
173.09666	4.4
179.08578	2.9
179.10555	4.8
185.04251	5.2
185.05762	3.7
185.09595	5.0
187.11264	3.7
188.08298	3.2
195.08028	2.9
195.11642	2.7
197.09566	5.1
199.07532	7.4
207.11868	3.3
209.09579	5.6
211.11197	7.2
213.12704	4.0
213.53900	2.9
215.10667	4.8
216.07736	5.6
223.11203	7.4
225.09073	8.8
225.12682	4.3
229.12323	2.7
231.11768	3.6
232.12589	3.0
233.09448	2.9
235.11122	3.0
237.09108	4.1
237.12761	8.7
239.10725	6.9
240.11491	10.8
241.08582	3.5
241.12234	6.4
243.10130	5.4
245.13287	5.3
247.11432	4.1
248.11935	3.2
249.12830	5.2
253.12206	8.2
255.13811	4.0
257.11740	2.8
261.12753	4.9
263.14246	15.7
265.12262	6.2
267.10178	4.0
267.13657	5.8
273.12677	7.6
276.11322	5.1
278.16656	3.6
279.13733	4.4
281.11874	6.5
281.15100	5.9
283.13129	4.0
287.14301	3.6
289.12360	3.9
289.15894	3.1
291.13770	11.9
293.15405	6.3
295.17004	3.7
305.15402	7.8
306.16287	16.9
307.13376	6.5
307.16663	6.9
309.14865	7.2
321.14850	4.5
323.16452	7.8
324.17154	22.2
333.18539	3.2
341.17459	8.1
342.18176	22.8
359.23547	3.6
386.17175	11.1
397.20621	3.6
399.10770	11.5
415.22110	3.2
445.23840	11.2
461.22879	3.7
463.24948	20.6
479.24185	9.1
481.25638	15.9
499.26883	4.0
507.23865	5.6
525.24738	14.6
543.25922	100.0
561.19257	59.2
561.27002	4.8
562.18903	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	560.3436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
55.01870	8.3
55.05519	19.9
56.77136	1.8
57.03436	12.4
59.05006	3.4
67.05498	29.2
69.03419	2.8
69.07067	9.0
71.04977	5.2
72.74974	1.7
77.40019	1.7
79.05494	26.6
81.03419	64.9
81.07058	27.2
83.01350	5.1
83.04977	12.9
83.08620	19.8
85.02901	3.2
85.61899	1.9
91.05486	28.3
93.07037	27.5
94.07376	1.9
95.04966	23.9
95.08610	13.5
97.02888	3.5
97.06534	5.3
97.10179	9.1
99.08039	1.7
103.02088	1.7
105.07026	22.7
106.07317	2.1
107.04950	11.7
107.08606	14.1
109.06519	7.5
109.10139	6.3
111.04472	4.7
111.08072	4.0
117.06987	10.5
118.07394	2.4
119.08578	15.8
121.06567	4.0
121.10134	8.5
123.08076	8.1
125.09644	6.3
128.06171	2.4
129.07008	10.9
130.07642	1.8
131.04974	1.9
131.08559	12.5
132.08917	2.0
133.06496	2.9
133.10120	9.5
135.08032	3.7
135.11684	9.1
137.09595	3.6
141.07004	2.2
142.07767	2.4
145.06494	3.1
145.10112	14.6
147.08017	5.5
147.11685	7.5
149.09622	5.4
157.10081	9.8
159.11761	3.6
161.06062	3.8
161.09744	2.4
163.11160	18.0
173.09665	3.1
173.13373	2.6
175.11201	7.4
183.11676	2.0
189.11307	2.1
191.10602	3.4
193.12212	16.3
209.11731	2.7
211.11205	1.9
211.13211	4.8
227.12807	5.3
231.13791	2.7
254.16229	1.8
265.14371	1.9
267.15903	47.5
273.15173	2.2
276.20200	3.1
283.15387	34.9
289.14362	3.5
365.21133	4.5
383.22052	19.7
384.11713	5.4
401.23196	6.5
431.78003	2.0
439.24905	2.8
450.30478	2.5
457.25964	29.4
475.26938	100.0
476.27042	2.5
493.27979	7.8
542.35522	10.9
560.36572	15.3
562.93475	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	560.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80825	0.2
53.03936	0.3
55.01866	0.5
55.05513	1.9
57.03426	0.5
61.02919	0.5
62.06071	0.5
67.05517	1.6
69.03425	2.8
69.07069	2.7
70.06594	0.6
70.75855	0.7
71.04991	0.4
71.08278	0.4
71.08634	4.1
72.08144	1.0
73.02904	0.4
79.05501	1.4
81.03423	1.8
81.07058	3.2
83.04964	0.6
83.08611	0.6
84.08139	1.2
85.02906	3.5
85.06547	0.4
86.05585	0.5
86.06073	5.1
87.04462	0.5
91.05474	1.2
93.07043	2.6
95.04973	0.4
95.08607	2.3
96.08121	2.0
96.08743	0.4
97.02882	1.5
97.06535	1.2
97.10158	1.0
98.06026	0.5
98.09695	2.2
98.21412	0.3
99.04463	0.8
99.08096	2.8
100.28693	0.3
105.07011	0.7
107.08588	1.1
108.08145	1.4
109.02876	1.0
109.06505	0.4
109.10170	0.6
111.11715	0.3
113.08363	0.4
116.10735	17.7
117.07024	0.2
119.08575	0.7
121.10133	2.6
122.09662	1.2
123.08064	0.3
124.07645	0.4
127.03915	1.6
131.08586	0.4
133.10133	0.3
135.07999	0.3
135.10474	0.3
135.11702	0.5
136.11186	0.3
139.11168	2.7
140.10742	0.8
143.10641	1.9
145.04919	0.4
149.02348	0.3
149.09627	0.6
152.14339	0.3
154.15906	3.3
163.11128	0.3
164.14302	0.4
166.15918	2.6
168.17506	0.4
178.15950	1.2
182.67329	0.3
185.11702	0.5
196.16977	6.3
203.12775	6.7
211.13330	0.5
214.18024	100.0
215.18411	1.2
227.12717	0.3
229.14354	1.1
261.13251	0.4
264.19574	0.6
282.20642	2.1
283.15256	0.4
299.14929	0.3
300.21701	10.4
300.40567	0.3
311.15021	0.4
329.15939	0.6
347.16983	0.6
376.23303	16.4
380.27859	0.7
383.11353	0.4
384.11530	0.5
398.29007	10.1
415.04974	0.3
462.26965	1.8
560.34491	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	560.3434
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80825	0.2
53.03936	0.3
55.01866	0.5
55.05513	1.9
57.03426	0.5
61.02919	0.5
62.06071	0.5
67.05517	1.6
69.03425	2.8
69.07069	2.7
70.06594	0.6
70.75855	0.7
71.04991	0.4
71.08278	0.4
71.08634	4.1
72.08144	1.0
73.02904	0.4
79.05501	1.4
81.03423	1.8
81.07058	3.2
83.04964	0.6
83.08611	0.6
84.08139	1.2
85.02906	3.5
85.06547	0.4
86.05585	0.5
86.06073	5.1
87.04462	0.5
91.05474	1.2
93.07043	2.6
95.04973	0.4
95.08607	2.3
96.08121	2.0
96.08743	0.4
97.02882	1.5
97.06535	1.2
97.10158	1.0
98.06026	0.5
98.09695	2.2
98.21412	0.3
99.04463	0.8
99.08096	2.8
100.28693	0.3
105.07011	0.7
107.08588	1.1
108.08145	1.4
109.02876	1.0
109.06505	0.4
109.10170	0.6
111.11715	0.3
113.08363	0.4
116.10735	17.7
117.07024	0.2
119.08575	0.7
121.10133	2.6
122.09662	1.2
123.08064	0.3
124.07645	0.4
127.03915	1.6
131.08586	0.4
133.10133	0.3
135.07999	0.3
135.10474	0.3
135.11702	0.5
136.11186	0.3
139.11168	2.7
140.10742	0.8
143.10641	1.9
145.04919	0.4
149.02348	0.3
149.09627	0.6
152.14339	0.3
154.15906	3.3
163.11128	0.3
164.14302	0.4
166.15918	2.6
168.17506	0.4
178.15950	1.2
182.67329	0.3
185.11702	0.5
196.16977	6.3
203.12775	6.7
211.13330	0.5
214.18024	100.0
215.18411	1.2
227.12717	0.3
229.14354	1.1
261.13251	0.4
264.19574	0.6
282.20642	2.1
283.15256	0.4
299.14929	0.3
300.21701	10.4
300.40567	0.3
311.15021	0.4
329.15939	0.6
347.16983	0.6
376.23303	16.4
380.27859	0.7
383.11353	0.4
384.11530	0.5
398.29007	10.1
415.04974	0.3
462.26965	1.8
560.34491	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	559.3995
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.9
54.06137	1.6
55.01871	8.0
55.05260	3.1
55.05512	39.6
57.03439	12.9
57.07054	2.8
65.03928	5.5
67.05507	99.6
69.07069	23.4
70.02638	10.5
71.05002	5.3
71.08633	19.9
77.03918	2.1
79.05494	93.7
81.03421	15.1
81.07058	95.5
83.01334	4.0
83.04990	18.5
83.08624	17.5
85.06549	6.8
91.05480	75.7
93.07048	100.0
95.04970	33.7
95.08605	63.0
97.06538	12.0
97.10171	4.0
99.08091	13.5
105.04510	2.8
105.07028	60.7
107.04963	14.1
107.08582	45.5
109.06521	10.0
109.10156	17.2
111.08083	4.2
117.07016	16.2
119.08585	36.5
121.02719	2.0
121.06550	3.2
121.10141	30.7
123.08072	6.6
123.11702	5.1
125.09630	2.0
125.43439	2.0
128.06218	2.1
129.07008	16.2
130.07822	2.6
131.08560	17.1
133.10139	21.4
135.08017	4.2
135.11700	26.2
137.09633	3.8
139.11180	1.9
141.07013	2.6
141.09248	3.2
143.08572	11.4
145.10133	25.8
147.08070	5.2
147.11681	29.7
149.13264	14.8
151.11166	5.0
155.08583	3.3
157.10152	4.6
159.11705	8.6
161.09616	3.0
161.13277	15.7
163.11192	12.9
163.14864	3.6
167.08624	2.0
169.10124	3.1
171.11681	26.9
173.13278	6.1
175.14807	2.1
177.11151	2.1
177.12714	3.8
179.14314	57.5
179.15822	3.8
180.14659	3.0
185.13297	4.2
187.14822	2.0
189.12724	10.5
199.14838	2.8
205.71812	2.1
207.13805	24.3
209.11577	2.3
213.16344	2.1
221.15555	3.0
227.12791	3.2
235.16963	2.3
259.20602	4.3
261.22119	8.0
265.14484	2.5
277.21646	45.7
279.15726	3.4
281.17484	55.0
291.19647	3.1
335.25821	50.6
359.33786	2.1
383.11353	3.7
389.09045	2.3
431.33835	2.0
449.34042	2.7
467.34827	3.5
467.87885	2.0
520.87213	2.2
527.37158	8.0
529.11865	2.1
541.39124	66.9
559.35938	65.2
560.36957	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	33.4
57.07050	10.8
60.89237	10.7
63.57025	10.2
63.60414	10.0
67.05512	82.7
69.07069	14.2
70.00032	59.7
78.73155	9.2
79.05491	85.1
81.07058	93.1
83.04977	20.4
83.08625	12.1
86.62006	9.3
91.05466	82.2
93.07050	100.0
95.04998	24.4
95.08606	55.2
97.06558	17.4
104.07184	9.9
105.07044	41.6
107.08600	41.5
117.07026	14.4
119.08599	17.7
121.10133	27.8
123.11797	10.5
133.10088	14.3
135.11705	13.3
143.08543	14.3
145.10086	16.7
147.11674	52.7
159.11617	13.6
161.13249	13.1
171.11746	30.2
189.12753	10.3
192.12999	10.1
207.13808	19.5
256.26553	13.5
281.17560	42.6
313.48752	10.8
335.25803	40.8
541.38733	81.8
559.36224	18.3
559.44275	20.1
583.99939	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	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22564	1.2
53.03941	4.0
55.01869	10.6
55.05513	36.2
57.03432	6.9
57.07086	4.2
57.24519	1.2
57.28415	1.2
57.81730	1.4
59.05001	2.4
64.32319	1.2
65.03943	2.9
67.05505	45.2
69.03413	3.3
69.07074	16.1
69.15584	1.3
70.66380	4.3
70.66766	2.6
71.01354	1.7
71.04988	5.9
78.88995	1.3
79.05497	37.6
81.03426	15.5
81.07056	47.2
83.05002	8.3
83.08618	21.5
85.02915	2.3
85.06535	3.2
91.05481	36.0
93.07046	36.7
94.17345	1.4
95.04974	13.3
95.08598	23.4
97.02940	2.2
97.06528	6.7
97.10175	28.6
100.32771	1.6
103.05457	1.5
105.07032	40.4
107.04955	7.3
107.08593	27.1
109.06514	7.1
109.10152	12.8
111.04433	2.6
111.08108	3.5
115.05495	3.7
117.07015	20.8
119.08577	29.6
121.06504	5.8
121.10143	14.1
123.08047	4.4
123.11739	2.4
125.09633	22.8
128.06236	3.6
129.06995	16.1
130.07852	1.9
131.08572	27.1
133.06482	2.8
133.10135	20.9
135.08066	6.5
135.11671	11.0
137.09647	2.5
141.07019	4.2
142.07796	4.1
142.33534	1.5
143.08568	15.2
145.06502	4.1
145.10127	26.4
147.08063	2.7
147.11684	18.0
149.09650	5.7
149.13271	3.2
153.09109	2.3
153.12769	3.5
155.08554	12.7
157.10126	15.6
159.08095	2.8
159.11711	20.3
161.09634	3.7
161.13292	8.0
163.11171	9.3
167.08586	3.1
169.10152	8.3
171.08087	2.4
171.10262	3.6
171.11615	14.3
173.09634	2.6
173.13235	11.6
175.11182	4.3
175.14812	3.4
177.12814	2.3
181.10156	4.8
181.12289	2.9
183.11691	8.5
185.09540	1.8
185.13242	11.9
187.11209	3.7
187.14871	4.5
189.11252	14.4
189.12785	2.6
193.12274	5.0
195.11729	3.4
197.13217	6.9
199.11197	2.5
199.14882	5.3
201.12726	2.0
207.11786	1.5
209.11597	2.8
209.13432	3.9
211.13191	2.0
211.14946	3.2
213.16405	4.8
215.18007	1.9
221.13298	2.2
223.14857	2.3
227.12758	22.3
227.14594	2.4
235.14728	3.1
239.18091	2.5
241.19525	4.3
257.19080	3.9
259.20596	13.9
267.16010	3.1
273.18677	1.7
275.20279	8.6
277.21667	3.1
279.21051	1.7
283.15405	12.4
285.22195	2.4
291.19604	3.6
293.21371	1.7
295.20633	2.0
297.22110	12.3
299.20172	3.9
313.21732	3.1
315.23236	12.3
331.22858	1.8
333.24399	7.0
349.23627	2.3
383.11392	5.1
431.29242	3.9
439.31927	2.9
449.30606	10.6
461.29181	1.9
467.31641	12.7
485.32932	12.8
513.35614	6.6
523.34344	12.7
531.36676	3.6
535.26129	1.7
541.35266	100.0
542.35303	2.2
559.36304	70.0
584.59290	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	559.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
67.05464	0.4
69.03398	0.1
69.07047	0.2
70.73178	0.3
79.05466	0.4
81.03403	0.2
81.07043	0.3
85.02898	0.4
93.07015	0.2
95.04895	0.2
95.08582	0.4
97.02864	0.2
97.06535	0.9
105.07030	0.3
107.08544	0.3
110.78452	0.2
113.09662	0.3
118.97826	0.1
119.08550	0.3
135.04364	0.3
135.08022	0.2
137.02333	0.2
153.01822	1.4
159.11580	0.2
203.03384	0.7
210.36124	0.1
229.04926	1.1
242.05702	0.4
257.04453	16.8
258.05237	15.4
259.05927	0.5
269.04263	0.3
275.19974	0.4
285.03961	0.4
286.04715	39.7
287.05481	21.3
287.08792	0.4
288.05774	0.2
292.45020	0.2
293.21173	0.4
294.21481	0.6
297.07516	0.3
311.15298	0.2
313.07181	0.8
328.82666	0.2
355.11813	0.5
367.21509	0.2
383.11240	100.0
384.11603	2.1
415.52100	0.2
515.21875	0.5
538.06714	0.2
559.14459	9.8
559.28394	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.4
55.01867	8.5
55.05262	2.3
55.05513	36.1
57.03433	9.0
57.07073	2.6
59.04995	1.8
65.03941	1.9
65.27082	1.2
67.05508	45.3
69.03430	2.6
69.07072	20.0
69.25352	1.1
70.33698	5.2
71.04987	3.0
71.08611	2.1
77.03925	1.4
79.05054	2.3
79.05495	35.0
81.03420	17.8
81.06577	2.2
81.07061	40.2
83.04980	12.6
83.08620	18.6
85.06546	3.4
89.14325	1.3
91.05482	38.7
93.07051	36.3
95.04971	14.6
95.08607	20.6
95.09170	2.0
97.02887	1.6
97.06529	6.9
97.10172	22.3
99.08082	2.0
105.07037	35.8
107.04971	8.2
107.08593	26.4
109.06500	7.1
109.10158	13.4
111.04462	2.3
111.08096	5.2
115.05445	1.6
116.06209	1.7
117.07021	22.2
119.04954	1.2
119.08578	27.9
119.42124	1.2
121.06523	4.2
121.10133	11.5
123.08073	4.9
123.11687	2.2
125.09627	18.0
125.66119	1.2
128.06232	4.5
129.07008	15.2
130.07803	2.3
131.08575	26.1
133.06496	2.3
133.10155	19.6
135.08060	8.0
135.11703	11.1
137.09608	1.9
141.06985	2.6
142.07780	4.1
143.08563	15.5
143.10632	1.6
145.06435	1.7
145.10129	23.7
147.08067	4.7
147.11687	17.6
149.09598	5.1
149.13269	3.4
151.11171	2.8
153.01807	1.6
153.12775	1.9
155.08553	7.6
156.09291	2.0
157.10135	15.2
159.08037	2.7
159.11697	17.4
161.09627	2.1
161.13300	7.5
163.11148	6.7
167.08577	3.4
168.09424	1.6
169.10129	8.3
171.10240	2.0
171.11676	12.4
173.09637	3.0
173.11913	1.8
173.13257	7.6
175.11223	4.0
175.14874	2.6
177.12860	1.5
179.14316	1.7
181.10101	6.6
181.12274	1.9
183.11668	8.3
185.09610	2.7
185.13268	7.1
187.11208	3.3
187.14859	2.9
189.11261	8.8
189.12770	2.1
191.10655	2.5
193.10385	1.8
193.12270	6.7
195.11713	4.9
197.13272	5.6
199.11339	3.2
199.14810	6.0
201.12778	2.1
201.16425	1.5
203.14513	1.3
209.11620	1.9
209.13321	3.6
211.13196	1.5
211.14981	2.1
213.16492	2.9
215.14462	1.9
217.16092	1.7
221.13235	2.6
223.14828	2.4
227.12732	19.5
227.14510	1.7
231.21135	2.2
241.19516	5.3
257.04465	2.9
257.18979	5.1
259.20682	9.2
267.15775	6.2
269.22418	1.5
271.20584	2.2
273.18677	2.1
275.20108	14.8
277.21561	1.8
279.21146	2.8
283.15430	7.0
285.22360	1.5
287.05511	2.4
287.23965	2.0
291.19595	3.4
293.21118	3.5
297.22086	9.3
299.20129	2.1
311.19940	1.5
313.21631	3.0
315.23135	10.1
325.21567	1.5
331.22684	3.0
333.24341	5.5
341.21423	1.8
349.19290	1.1
349.23566	6.2
351.23456	1.4
383.11218	12.4
384.11722	1.5
403.30157	3.2
421.31079	2.1
431.29544	4.6
439.32034	2.6
449.30679	10.3
467.31714	11.7
485.32602	11.8
513.35773	6.4
523.34186	12.7
531.36963	4.7
541.35254	100.0
559.36212	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05431	0.4
68.99763	0.5
69.56062	2.9
85.02856	0.9
86.09682	0.7
95.64098	0.4
107.08543	0.4
153.01825	15.9
155.03320	0.8
183.07805	0.4
187.07547	1.8
189.05428	2.1
195.07986	0.4
201.09003	0.8
211.76004	0.3
213.05392	0.4
213.08757	0.4
225.09076	0.4
229.08530	0.9
237.05402	0.9
243.06433	0.5
265.04977	1.8
265.08908	0.4
269.04529	0.6
279.06427	0.5
281.04456	0.6
282.05222	2.4
283.06006	1.3
293.04718	0.7
293.07861	0.4
295.06039	0.9
297.03864	1.5
298.04678	1.3
299.05280	0.8
308.06735	0.4
310.04669	10.1
311.05487	42.3
312.05951	0.8
323.05496	6.3
323.09015	0.6
323.75003	0.4
324.06189	1.9
325.06882	0.5
326.07901	1.3
339.08612	100.0
340.08966	1.6
355.11667	0.6
365.10202	1.1
383.11237	76.1
384.11621	1.1
497.31155	0.6
501.48477	0.4
515.12195	2.1
559.14569	7.1
559.30731	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	559.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75423	0.2
53.03930	0.3
55.01867	0.4
55.05504	1.1
57.54860	0.2
66.74541	0.2
67.05497	0.5
69.03439	0.2
69.07069	0.4
69.40873	0.5
69.41294	1.3
70.06590	0.4
72.08176	0.2
79.05489	0.5
81.03416	0.4
81.07043	0.6
83.04979	0.3
85.02901	0.5
86.06044	0.4
86.09703	5.8
91.05474	1.7
93.07048	1.6
95.04980	0.4
95.08603	0.4
97.02879	0.4
97.06551	0.3
103.05469	3.5
105.03393	2.7
105.07018	0.6
105.36555	0.2
106.06564	0.3
107.08627	0.2
109.02876	0.3
109.10130	0.2
115.05435	0.3
117.07020	0.2
118.06544	0.4
119.04910	0.2
119.08611	0.4
120.08105	32.9
121.06479	0.3
121.10155	0.3
122.41806	0.2
123.08145	0.3
129.07008	0.3
130.06537	0.3
131.04942	0.3
131.08597	0.3
133.10156	0.3
134.06007	0.5
135.04396	0.3
135.11710	0.3
136.07588	0.2
139.03886	0.6
143.04924	0.3
143.08577	0.4
146.06050	0.3
147.04373	0.3
153.01826	8.2
161.06038	0.3
165.07059	0.3
167.07162	0.4
167.08582	1.7
175.11192	0.2
177.09154	0.2
178.07790	0.4
183.08000	0.2
185.09647	0.2
187.07590	0.3
189.05563	0.3
191.08575	0.4
193.10172	0.8
195.08063	0.7
201.09273	0.2
203.03389	0.3
205.06244	0.2
207.08058	1.2
208.08890	0.3
208.11192	0.3
209.09648	0.9
219.08078	0.7
221.09723	1.1
223.07578	1.5
224.10672	2.1
225.11392	1.1
229.04947	0.4
229.13362	0.3
233.16525	0.7
235.09894	0.3
236.10712	1.9
237.05560	0.4
237.11624	0.3
238.12248	2.0
240.10266	0.5
243.06461	0.2
248.10741	0.7
250.12306	0.8
253.04950	0.6
253.13379	2.9
254.11798	1.4
255.14952	0.4
257.04453	10.6
258.05249	3.1
260.10721	0.2
261.15878	0.3
265.04990	1.3
265.08493	0.4
267.06583	0.3
267.09073	1.1
271.06055	0.5
281.04401	1.3
282.05310	0.5
282.11270	3.7
285.03882	0.4
285.10150	1.7
286.04709	6.4
287.05521	4.7
290.10577	0.3
291.47955	0.2
292.17010	0.4
293.04376	0.4
293.17838	0.3
294.05191	0.3
295.03043	0.3
295.06018	1.4
297.03986	1.2
297.06964	0.3
298.04654	0.4
299.05658	1.7
299.13968	16.2
306.18576	0.7
309.03946	0.8
310.04803	0.7
311.05484	10.1
313.03458	0.8
313.07095	0.8
317.12766	0.7
321.07635	0.3
321.19565	1.1
322.18002	1.0
323.05530	5.8
323.09238	0.5
323.21167	0.4
324.06372	0.3
325.07007	1.3
327.05115	1.6
327.08502	0.3
332.06967	0.2
333.19687	0.3
337.10507	0.3
339.08649	3.1
340.14319	0.4
350.17511	0.5
353.10233	0.5
355.11768	3.7
365.10220	2.9
367.20160	4.6
377.18646	0.2
379.24048	0.3
383.11240	100.0
384.11630	1.4
395.19861	0.6
397.25629	6.2
400.20245	0.4
412.22339	1.6
434.20871	0.2
446.20761	16.8
497.30530	0.5
514.27203	1.7
541.28253	3.5
542.26630	1.6
559.15302	9.1
559.29620	45.6
574.73407	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	559.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30344	0.1
68.99791	0.2
69.03429	0.3
69.56017	1.4
70.06604	0.2
71.58950	0.1
84.26850	0.1
86.09691	0.5
91.05461	0.2
97.02892	0.2
99.99008	0.2
127.19790	0.2
139.03918	0.3
141.06989	0.2
145.06517	0.2
153.01823	20.8
159.07899	0.2
187.07542	4.9
189.05464	2.0
211.07487	0.2
227.07109	0.2
255.06557	0.5
265.05005	0.5
267.06885	0.2
269.04172	0.2
273.07663	0.2
282.05212	4.1
283.06082	1.7
283.09219	0.3
286.04871	0.2
293.08139	0.3
295.06015	0.2
297.04013	0.7
298.04709	0.4
299.05569	0.5
307.05893	0.2
310.04648	1.6
311.05481	24.6
312.05927	0.5
321.07584	0.5
323.05600	0.5
324.06393	0.4
325.07004	0.2
326.07727	0.3
337.07077	0.2
339.08618	18.0
340.08948	0.4
365.10294	0.2
383.11230	100.0
384.11658	2.2
559.14539	8.4
559.30865	4.3
560.15118	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	557.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00504	4.0
55.05506	20.8
57.03423	6.5
57.07067	9.5
65.03966	5.7
67.05508	51.4
69.07052	14.4
69.43722	9.0
69.44135	31.2
71.08652	5.1
72.08172	5.6
78.18701	4.5
79.05492	30.3
81.03441	5.5
81.07064	38.1
83.05000	6.6
83.08591	12.5
87.04453	5.0
91.05479	34.2
93.07044	31.3
95.04973	5.3
95.08608	32.8
95.21910	4.4
97.06537	6.0
97.10184	6.5
105.07048	28.7
107.04949	7.2
107.08601	21.3
109.06532	4.1
109.10154	16.2
117.07056	10.3
119.08585	20.2
121.10139	13.6
125.09599	4.7
128.06169	4.9
129.07031	11.5
131.08571	25.8
133.10124	17.3
135.11670	11.2
141.07025	4.7
143.08548	17.8
145.10110	24.7
145.64491	3.9
147.11713	14.0
155.08580	16.5
157.10138	17.0
159.11685	11.3
161.13245	9.8
167.08574	10.2
169.10133	21.0
171.11691	15.4
173.13289	10.6
181.10115	10.2
183.11723	14.3
185.13245	11.9
195.11676	14.1
197.13310	11.8
199.14857	7.6
204.80815	4.3
209.13310	10.2
223.12994	4.6
223.14922	7.3
227.12717	5.6
232.23607	4.1
259.20587	9.3
273.17413	3.9
281.17596	8.2
289.48593	4.3
314.27853	5.1
333.24329	6.7
437.34174	7.4
447.32266	17.0
465.33563	23.6
467.37292	13.3
483.34537	15.3
488.45718	4.3
501.35898	4.4
521.36066	7.6
522.38770	6.3
529.38501	6.6
539.37329	100.0
557.38641	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15036	0.6
53.03939	2.2
55.01883	3.9
55.05510	16.8
57.03442	5.3
57.07068	2.2
62.21880	0.6
65.03939	1.8
67.05504	32.6
69.03386	0.8
69.07068	14.4
69.37749	1.7
69.38159	4.9
71.04988	1.8
71.08604	0.9
72.28188	0.6
73.06554	0.7
75.29982	0.6
77.03915	1.0
79.05492	30.0
80.17269	0.6
81.03429	4.1
81.07053	35.2
83.04989	4.5
83.08615	7.9
85.02905	0.8
85.06532	2.5
91.05479	31.3
93.07043	26.7
93.07630	1.5
95.04966	7.0
95.08604	23.5
97.06520	4.6
97.10168	5.7
99.08065	1.2
103.05497	1.4
105.07028	29.3
107.04939	5.1
107.08589	15.7
109.06512	4.8
109.10161	10.3
111.08094	2.7
115.05451	1.8
117.07019	13.4
119.08578	22.2
121.06505	2.3
121.10139	9.1
123.08056	3.2
123.11725	0.9
125.09628	3.6
127.07566	0.8
128.06224	3.9
129.07005	16.9
130.07739	0.9
131.08563	23.7
133.06464	1.5
133.10129	15.0
133.11082	1.2
135.08063	2.7
135.11676	5.9
137.09616	1.2
141.06975	5.2
142.07777	3.2
143.08566	22.8
143.09702	1.2
145.06499	2.5
145.10123	22.1
145.11278	1.1
147.08044	1.8
147.11681	12.6
149.09642	2.7
149.13268	2.9
151.11189	0.8
153.07033	1.2
154.07762	1.1
155.08557	16.8
156.09360	2.0
157.06488	0.7
157.08766	1.1
157.10127	18.5
159.08073	2.2
159.11693	16.3
161.09642	2.9
161.13264	8.3
163.11174	3.7
163.14830	1.3
165.06946	1.1
165.12733	1.0
166.07809	1.4
167.08575	6.8
168.09422	2.1
169.10121	19.2
170.10834	0.9
171.08112	2.0
171.11674	19.1
173.09634	1.6
173.13261	9.5
175.11188	1.8
175.14890	2.9
177.12808	1.4
179.08611	2.7
179.14218	1.2
180.09291	1.3
181.10143	10.8
182.10886	2.1
183.08076	0.8
183.11697	16.7
185.09709	1.1
185.13251	11.3
187.11185	2.8
187.14845	4.2
189.12767	1.9
191.08626	1.0
193.10175	3.2
194.11005	1.1
195.11678	11.2
196.12486	0.8
197.13245	10.5
199.11160	2.0
199.14786	8.3
201.16408	2.1
203.14355	0.8
205.10236	0.9
205.16019	0.8
207.11752	3.7
207.13860	3.3
208.12596	0.8
209.13263	7.4
211.14850	6.8
213.12859	0.9
213.16383	5.9
215.14351	1.1
215.17975	1.6
219.11845	1.1
219.13832	0.8
219.17473	1.4
221.13269	3.7
221.15295	0.7
223.14847	6.3
225.16461	3.7
227.12798	2.7
229.15898	1.3
233.13278	1.4
235.14819	3.0
236.15579	0.8
237.16338	3.4
239.17976	2.1
241.15996	0.8
241.19560	3.7
243.17638	0.8
247.14812	1.4
247.17076	1.1
249.16528	1.7
251.17970	2.1
253.19588	1.0
257.19070	1.4
259.20560	9.9
261.16443	0.9
263.17947	1.0
269.18979	0.9
271.20782	0.8
275.20239	3.9
279.16138	2.1
279.20966	1.3
281.17322	7.3
285.18509	1.2
287.20255	1.0
293.18881	1.0
295.20566	1.5
297.22260	1.9
299.23666	1.3
307.20502	1.2
309.22211	2.4
311.20200	2.1
311.23740	1.3
313.21652	2.1
313.25037	0.8
315.23193	1.8
321.22076	2.7
323.23798	2.0
325.21732	1.7
325.25308	1.1
327.23254	1.2
331.23001	0.9
333.24509	3.5
335.23849	1.8
337.25278	1.5
339.23138	1.4
339.26959	1.0
341.24738	1.2
349.25250	1.7
351.23148	1.1
353.24670	2.4
365.24951	0.9
367.26447	1.2
379.26636	0.7
419.33072	4.0
429.31747	4.3
437.28867	0.8
437.34332	10.0
447.32617	21.1
455.35605	1.0
465.33746	19.1
483.34924	14.5
485.34225	1.0
493.36398	1.0
501.35721	2.2
503.35858	0.8
511.37781	2.3
521.36438	9.1
527.37347	2.7
529.39008	7.9
539.37384	100.0
540.37482	2.2
557.38739	49.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.6
55.01859	2.1
55.05511	16.0
57.03440	6.7
57.07072	2.5
62.52994	1.0
67.05170	1.9
67.05505	28.9
69.07061	12.4
71.04989	3.2
71.08640	1.5
79.05486	24.6
81.03414	2.1
81.07053	32.3
83.04969	2.8
83.08604	9.4
84.41198	1.1
91.05480	27.5
93.07039	27.0
95.04964	5.8
95.08598	21.5
97.06548	3.4
97.10155	4.3
98.21546	2.0
99.08057	1.6
103.05495	1.6
103.14195	1.0
105.07023	26.4
107.04956	1.6
107.08594	14.3
109.06505	3.1
109.10178	9.3
111.08077	1.5
115.05453	2.3
117.07014	10.9
119.08575	19.5
121.06512	1.3
121.10145	9.2
123.08043	3.1
123.11722	2.1
125.09604	2.2
128.06238	2.5
129.07002	14.5
131.08560	21.0
133.10127	14.0
135.08017	2.1
135.11703	5.1
137.09659	1.4
141.06999	5.4
142.07788	2.9
143.08566	16.5
145.10124	19.0
147.11664	14.2
149.09598	1.6
149.13310	3.6
154.07793	2.2
155.08546	14.7
157.10115	14.6
159.08104	1.8
159.11710	13.9
161.09665	1.8
161.13225	8.8
163.11215	1.3
165.06990	1.2
167.08524	7.0
168.09366	2.1
169.10098	16.5
171.08127	1.1
171.11674	16.6
173.09680	1.4
173.13229	10.1
175.11269	2.0
175.14877	2.8
177.12726	1.7
179.08568	3.4
180.09346	1.3
181.10107	12.5
182.10890	2.5
183.11693	14.5
185.09692	1.6
185.13268	10.5
187.11211	2.4
187.14761	5.3
189.12769	2.1
193.10141	2.7
194.10793	1.2
195.11623	9.7
197.13278	12.4
199.11162	1.8
199.14836	6.8
207.11783	3.6
207.13867	3.3
209.13284	7.6
211.14854	6.5
213.16440	4.4
221.13239	3.4
223.14818	4.7
225.16495	3.1
227.12694	1.1
231.21191	1.5
233.13287	1.8
235.14696	2.5
237.16414	2.7
239.18027	2.1
241.19565	5.2
247.14819	1.5
247.17113	1.8
249.16418	1.4
249.81453	1.2
251.18036	2.1
257.19110	1.8
259.20508	11.5
263.17822	1.1
265.19656	1.6
269.18973	1.1
279.15869	3.3
281.17377	8.0
307.24396	1.2
311.19888	1.6
321.22165	1.8
323.23822	3.8
325.21753	1.5
327.23135	2.0
333.24356	3.7
335.23755	2.4
337.25174	2.0
339.23370	1.5
341.24747	1.9
353.24725	2.3
419.33255	2.8
429.31531	3.8
437.34143	9.3
447.32642	20.2
465.33676	21.3
483.34756	15.4
493.36475	1.4
501.35849	2.5
503.35159	1.6
511.37683	1.6
521.36072	7.8
527.37189	2.4
529.38928	7.8
539.37305	100.0
540.37726	2.6
557.38416	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3475
Annotation	Revandchinone 4
Peak:m/z	Relative Intensity
52.90098	1.6
53.03941	6.0
55.01879	9.7
55.05513	24.2
57.03183	1.9
57.03434	9.9
57.07087	2.6
65.03952	1.8
67.05505	34.0
69.03425	4.6
69.07078	13.9
71.04997	3.3
74.49658	2.2
79.05493	37.8
81.03426	24.1
81.07060	46.4
83.04999	10.2
83.08623	13.1
85.02904	3.5
87.40886	1.8
88.46215	2.0
90.54385	1.9
91.05473	25.8
93.07049	25.2
95.04974	18.7
95.08611	15.9
97.02863	2.1
97.06527	5.5
97.10158	13.0
98.20650	2.9
103.05451	2.4
105.07043	22.8
107.04966	12.4
107.08583	19.5
109.06513	18.1
109.10169	7.3
111.04453	4.0
111.08067	3.7
112.48437	1.6
115.05455	3.0
117.07021	12.5
119.04900	2.1
119.08591	20.4
121.06494	8.8
121.10143	8.3
123.08060	6.2
123.11686	2.2
125.09635	10.4
128.06229	3.4
129.07031	11.0
130.71748	2.0
131.08583	13.6
133.06493	5.2
133.10123	11.7
135.08046	10.7
135.11703	4.4
137.09624	4.1
141.07004	3.6
142.07742	3.1
143.08557	9.6
145.06500	5.6
145.10115	12.9
147.08064	8.0
147.11700	9.0
149.06017	2.2
149.09637	5.8
151.11165	1.8
155.08606	5.3
157.10153	7.6
159.08040	6.2
159.11714	6.4
161.09645	6.0
163.11169	9.1
165.09201	2.1
169.10124	4.8
171.08008	3.9
171.11687	4.8
173.09578	3.1
173.13295	4.4
175.11238	6.3
177.12686	2.4
181.10231	3.5
181.12216	2.5
183.11694	4.3
185.09634	5.2
185.13292	3.8
187.11209	3.8
189.11256	5.3
189.12785	2.9
191.10803	2.0
193.10529	1.9
193.12250	8.2
195.11824	2.4
197.13312	3.4
209.09732	2.4
219.13879	5.0
225.12668	2.1
225.16290	2.0
227.12852	7.9
238.51889	1.8
245.15506	3.2
245.19180	1.9
247.16992	2.9
255.17436	3.1
267.15933	6.7
273.18506	15.3
275.20114	5.7
291.19501	14.2
292.64944	2.1
313.21631	9.3
315.19760	3.7
329.21283	2.5
341.21194	4.0
347.22223	4.8
368.28506	1.9
369.24539	2.3
415.24838	2.2
433.25906	2.3
447.29050	5.9
465.30118	13.0
483.30829	9.0
501.31845	2.8
521.32355	3.1
539.33710	24.2
557.34772	100.0
558.34833	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	557.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62627	1.5
52.53763	1.5
53.03939	6.9
55.01878	16.2
55.05261	2.6
55.05510	35.4
57.03437	3.6
59.04989	2.2
59.39405	1.6
65.03933	3.6
67.05508	55.8
69.03439	2.9
69.06720	3.3
69.07068	40.5
69.34230	7.9
69.34665	9.2
71.03519	1.6
71.04981	5.9
79.05496	54.3
79.05963	2.8
79.83559	1.6
81.03426	21.3
81.07059	69.0
82.07384	1.7
83.01340	6.4
83.04998	18.8
83.08628	16.7
85.02895	2.7
85.06573	2.5
87.98003	1.8
91.05482	75.2
93.07047	52.6
94.07374	2.2
95.01324	11.9
95.04976	21.4
95.08612	41.9
97.06540	25.3
97.10178	6.2
103.05466	4.2
104.10760	3.4
105.07034	87.2
107.04956	35.1
107.08603	32.1
109.06503	12.7
109.10147	11.8
111.04428	4.1
111.08076	6.2
115.05450	3.8
117.07018	25.0
119.08582	46.0
120.62930	1.5
121.06528	7.7
121.10129	17.8
123.04427	4.0
123.08076	8.2
123.11700	1.8
125.09658	4.8
128.06227	2.2
129.07024	6.6
130.07808	1.7
131.08574	25.7
133.06525	2.5
133.10129	44.1
135.08063	6.6
135.11702	14.5
137.09595	4.8
139.07558	3.5
139.11096	1.8
141.06955	4.5
142.07800	2.0
143.08568	6.7
145.06464	4.5
145.10132	29.0
147.08127	2.6
147.11690	22.8
149.09598	9.3
149.13278	4.5
151.11194	2.0
153.12781	1.8
155.08556	2.9
157.10110	5.1
159.08055	2.0
159.11708	12.5
161.13240	5.6
163.11188	21.8
165.09189	2.8
169.10127	4.7
169.76292	1.8
171.11739	4.4
173.09686	3.2
173.13278	3.3
175.11250	1.6
177.12708	3.9
179.14322	22.5
181.09967	1.9
183.11699	2.8
185.13213	2.8
187.11220	4.4
189.11163	3.0
191.10631	2.7
197.13263	3.1
203.71608	1.8
205.12192	2.1
209.11768	2.4
219.13939	1.8
227.12860	6.4
229.19423	2.3
233.06361	1.7
239.17950	2.8
247.20618	3.1
257.18909	8.2
265.14383	3.4
275.20071	100.0
283.15530	2.9
293.21259	9.6
313.21426	1.9
349.23743	4.9
431.65967	1.9
465.29935	3.5
539.33411	10.6
557.34747	97.3
558.35242	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	557.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	7.8
55.01869	14.6
55.05263	2.0
55.05509	27.2
57.03416	4.8
59.05005	2.1
59.19430	1.7
60.26863	1.6
62.93458	1.8
65.03951	3.5
67.05177	3.1
67.05505	45.0
67.08648	1.7
69.07069	27.4
69.87318	11.6
71.04971	6.1
79.05066	3.2
79.05496	48.6
81.03416	20.4
81.07057	77.0
83.01318	3.7
83.04980	15.0
83.08623	16.0
85.06530	2.6
91.05482	49.3
93.06470	3.3
93.07043	50.0
95.01329	9.0
95.04976	20.0
95.08046	3.2
95.08604	35.7
97.02879	2.1
97.06525	17.1
97.10148	6.8
99.04452	2.8
103.05447	3.2
105.07039	54.4
107.04954	19.6
107.08604	25.5
109.06522	25.5
109.10174	11.4
111.04421	4.1
111.08061	4.5
115.05413	3.9
117.07016	19.9
119.08582	33.1
121.06480	8.5
121.10143	15.9
123.04433	2.7
123.08051	7.5
123.11697	2.8
125.09617	5.3
129.07030	8.9
131.08575	24.2
133.06551	2.8
133.10123	32.7
135.08086	9.0
135.11708	13.3
137.09569	4.4
141.07002	4.3
143.08521	7.4
145.06439	3.6
145.10124	29.8
147.08032	6.6
147.11691	16.5
149.09592	7.3
149.13242	3.9
153.12769	2.8
155.08527	5.1
157.10095	6.9
159.08014	4.2
159.11703	14.5
161.09628	4.7
161.13239	4.5
163.11217	16.0
169.10178	4.8
171.11713	3.5
173.09602	5.8
173.13255	4.3
177.12758	3.1
179.14296	11.4
181.10204	2.5
185.09628	2.0
187.11264	4.1
191.10748	2.2
193.12172	3.8
197.13295	5.0
202.36443	2.1
209.11633	2.2
215.17973	1.9
218.82564	1.9
219.13794	2.8
219.17435	4.1
227.12729	6.6
247.20485	3.3
257.18964	7.0
265.14322	5.2
267.15878	3.4
272.22781	1.9
273.18491	5.8
275.20078	77.2
291.19485	6.5
293.20993	7.5
313.21506	2.2
347.22522	2.3
349.23672	3.9
447.28595	3.0
465.29700	3.7
514.55725	1.9
525.35901	2.6
539.33429	12.1
557.34613	100.0
558.35260	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	557.2937
Annotation	Forskoditerpenoside C
Peak:m/z	Relative Intensity
53.03951	0.4
55.05491	0.7
56.96552	0.5
58.89284	0.5
67.05499	1.2
69.03429	1.5
69.07069	1.5
70.06590	0.9
71.05009	0.7
71.59281	0.9
79.05521	1.0
81.03416	0.9
81.07054	2.4
83.04971	0.5
84.08155	0.9
85.02892	2.3
85.06555	0.6
86.09725	0.6
88.80877	0.4
91.05499	0.9
93.07027	1.3
95.04958	0.7
95.08578	2.2
97.02890	0.9
99.04484	0.4
103.03068	0.4
103.03934	0.6
105.07022	1.4
106.22707	0.4
107.08587	0.8
109.02873	0.7
109.06540	0.5
109.10172	1.4
110.97581	0.5
117.07012	0.6
119.08586	1.0
121.10140	0.7
122.06029	0.5
123.11698	0.6
127.03940	1.2
131.08592	0.6
133.10141	0.8
137.05914	0.6
137.09593	0.7
140.07103	1.0
143.08629	0.6
143.85194	0.5
150.09132	0.6
151.07553	0.9
157.10182	0.5
166.08752	0.5
175.07588	1.0
177.00708	0.6
212.16554	0.7
228.15994	1.2
232.37798	0.5
250.38564	0.5
274.21686	1.6
280.20142	0.5
285.10190	0.5
286.04782	0.8
287.05502	0.8
292.22629	0.7
295.20694	0.5
310.23755	0.6
318.11823	0.6
333.23981	0.9
336.25656	0.6
345.32996	0.5
365.22867	2.6
374.21771	1.2
377.22107	1.4
381.09940	0.7
395.24042	39.4
396.23834	0.6
495.29391	11.6
518.15350	0.5
521.30768	0.5
526.21863	0.8
527.28455	0.7
530.14362	0.5
557.29358	100.0
558.29340	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	556.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.9
54.24447	1.3
55.01890	1.5
55.05505	13.3
57.03435	12.0
57.07077	33.0
58.94921	1.3
60.29490	1.4
63.94427	1.2
67.05499	16.9
69.07069	10.2
69.41295	2.2
69.41695	11.6
71.05002	1.9
71.08635	24.0
79.05483	18.9
81.03409	2.0
81.07057	25.8
83.04984	2.4
83.08621	13.0
85.10188	11.3
89.06031	3.2
91.05485	6.6
93.07043	32.0
95.04984	4.1
95.08605	49.5
97.02893	3.6
97.06522	2.6
97.10170	5.9
98.20737	1.7
99.04472	2.8
103.07598	1.6
104.10740	4.6
105.07001	6.6
107.04957	9.0
107.08596	22.3
109.06544	1.5
109.10152	7.5
111.04463	1.7
117.07006	6.8
119.08558	9.2
121.06500	4.3
121.10139	10.2
123.11712	4.4
125.06004	1.9
133.10168	1.8
135.08179	1.7
135.11691	46.1
138.02684	1.2
139.07605	1.5
145.10121	25.4
153.12709	1.2
163.11185	55.8
181.12271	7.7
227.12782	69.5
239.23766	2.2
257.24796	2.3
283.15393	61.9
283.26318	4.9
285.00717	1.4
313.27356	100.0
521.38391	68.8
522.38129	2.4
556.52637	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	556.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.01874	2.7
55.05501	0.5
56.05041	0.3
57.03433	5.4
59.04993	0.6
60.60065	0.3
61.02926	4.5
64.75869	0.3
65.03931	1.5
67.05488	0.6
69.03426	10.1
69.07053	0.6
69.88310	0.3
70.06593	0.5
70.52899	0.9
71.01338	1.3
71.04987	1.0
73.02916	22.0
77.46056	0.3
79.05524	0.5
81.03420	1.9
81.07059	1.4
83.04976	0.6
83.08604	0.3
85.02903	23.9
85.06509	0.4
87.04460	1.3
91.05479	100.0
93.07046	0.7
95.04996	0.5
95.08613	1.0
97.02892	18.4
98.21410	0.5
99.04463	1.4
100.11193	0.4
103.03934	1.0
105.07050	0.4
107.08607	0.5
109.02879	2.0
109.10159	0.5
113.61723	0.3
114.09164	1.0
115.03929	9.9
119.08585	0.6
120.08108	0.3
121.10216	0.5
123.11757	0.3
127.03914	8.6
131.13225	0.3
133.04961	12.8
133.10091	0.5
137.02383	0.5
139.04024	0.4
142.12245	0.7
145.04955	12.0
145.10078	0.4
157.04967	0.4
163.06000	3.1
167.03433	1.4
182.15410	0.3
194.48723	0.3
199.06053	0.7
210.14798	0.3
217.07008	0.6
223.06030	2.2
227.07170	0.6
234.01100	0.3
241.07127	2.6
245.08096	11.4
258.05127	0.3
259.08185	2.1
272.20084	0.4
277.09265	0.7
290.21207	0.4
295.10336	0.4
524.19672	0.4
555.41174	0.7
556.28174	1.2
556.42181	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	2.9
55.47680	0.9
56.39320	1.1
57.03422	1.4
60.04515	1.1
61.02920	1.3
65.03931	1.8
67.05490	1.5
69.03429	2.2
70.06602	7.2
71.60522	1.8
74.06053	1.5
79.05491	4.0
81.03426	1.3
81.07075	2.2
83.04980	1.5
85.02911	8.9
86.09687	1.4
91.05476	20.4
93.07044	3.0
94.04163	1.2
95.04988	1.9
95.08622	2.2
97.02884	3.5
103.05466	30.4
105.03365	2.7
105.07029	12.3
107.04956	2.7
109.06536	5.4
111.04463	1.5
115.05476	2.9
116.40624	1.1
117.07008	1.8
119.04951	30.3
119.08559	1.7
121.06477	2.5
121.10123	1.5
122.03653	3.3
123.08070	3.3
125.06010	2.0
127.03927	1.8
128.06245	1.3
129.06993	12.0
129.10315	1.3
131.04932	77.2
133.02876	4.8
133.06490	13.5
137.05980	100.0
138.06335	2.0
143.04857	2.0
145.04961	1.7
145.06467	2.7
147.04413	13.0
147.08022	2.9
149.05975	4.5
151.03883	1.4
151.07556	15.9
153.05435	4.0
157.06479	11.3
159.08061	2.0
160.05186	3.1
161.05991	48.2
161.87717	1.0
162.06767	4.1
163.07542	39.9
165.05467	3.2
167.07060	1.9
169.06566	1.1
172.05171	1.8
174.06758	3.7
175.07545	28.8
177.09109	1.2
179.07054	14.5
187.07535	26.8
189.09103	21.4
189.10722	1.6
191.08542	1.5
193.08611	4.7
199.07669	1.6
203.08492	1.6
203.43591	1.3
205.08592	7.3
207.10158	2.7
217.08598	7.1
219.08139	5.3
219.10048	1.6
231.08002	2.6
235.09657	2.2
240.07523	1.2
247.07541	2.8
248.08321	2.2
251.10664	4.2
259.07462	1.6
263.10657	3.0
264.07794	1.8
270.08868	1.7
271.09750	3.2
279.10010	7.1
283.09647	1.6
285.11337	1.5
291.10205	7.2
296.10406	1.9
309.11264	4.0
311.12753	23.0
323.12820	11.9
329.13861	4.9
341.13818	22.1
347.14661	7.9
359.15045	2.1
402.61688	1.2
436.40247	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	555.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02376	1.3
53.03949	5.6
55.01872	14.7
55.05265	1.3
55.05513	17.6
57.03440	10.3
57.07077	28.1
65.03943	4.3
67.05506	46.6
69.03425	2.1
69.06719	1.9
69.07071	27.0
70.69254	2.6
70.69624	2.1
71.04993	2.5
71.08632	22.7
79.05494	37.3
81.03423	17.8
81.07058	46.6
83.04984	11.4
83.08621	14.2
85.02880	1.2
85.06569	2.5
85.10184	14.3
91.05484	46.1
93.07047	30.1
95.01330	7.3
95.04971	15.6
95.08609	44.0
97.06531	26.5
97.10156	7.1
98.98466	70.4
99.04424	1.4
99.08099	1.3
105.07030	43.0
106.99340	1.0
107.04948	16.4
107.08597	13.9
109.02895	5.8
109.06522	4.4
109.10154	13.2
111.08051	2.2
111.11756	1.8
112.09839	1.1
115.05515	1.4
116.99526	2.8
117.07032	10.6
119.08586	28.6
121.06501	2.1
121.10143	6.8
123.04439	1.1
123.08084	4.8
123.11713	3.1
125.09660	1.6
127.07655	1.3
128.06232	2.1
129.06990	7.7
131.08569	12.7
133.06488	1.3
133.10130	21.6
135.08032	3.7
135.11713	5.1
137.09674	2.6
137.13274	2.5
139.07503	1.6
140.01065	1.8
141.07013	1.9
143.08551	5.7
145.06509	2.8
145.10136	11.4
147.08067	1.6
147.11678	15.6
149.09657	3.7
149.13304	3.8
151.11182	1.6
155.01044	100.0
157.10162	3.7
159.11652	5.8
161.09679	2.0
161.13257	7.4
163.11195	3.8
165.09076	2.0
169.10185	2.4
171.11691	8.5
173.02136	1.2
173.13281	2.9
177.12785	3.1
179.14282	11.2
183.11806	2.4
187.11218	1.3
189.12744	2.0
196.03799	1.4
207.13892	3.2
229.19586	1.1
239.17934	1.5
239.23729	11.5
241.14378	1.3
243.02673	1.5
247.20734	2.7
257.18927	5.8
259.20657	1.3
263.16467	2.4
275.20065	59.7
279.15842	5.4
293.21063	6.7
313.27362	74.1
314.27856	2.0
317.06293	10.2
349.23795	1.8
383.28064	1.2
393.24023	11.0
401.28976	7.7
481.33148	1.2
520.34344	1.4
528.33331	1.2
537.28363	3.4
537.35992	2.0
555.36957	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	555.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94477	1.5
53.03938	2.9
55.01862	5.9
55.05510	11.7
57.03425	8.4
57.07073	29.4
62.24051	1.8
67.05507	25.1
69.07069	16.5
69.59117	15.5
71.08629	23.5
79.05482	14.1
81.03423	11.1
81.07057	29.6
83.04950	3.1
83.08629	11.0
85.02898	2.1
85.10179	9.9
89.28716	1.8
91.05477	15.7
93.07058	14.3
95.01331	2.8
95.04951	6.4
95.08607	29.9
97.06518	7.7
97.10153	7.1
98.98468	67.5
105.07031	16.6
107.04942	5.0
107.08575	3.9
109.02877	5.2
109.10174	14.4
111.11800	2.1
116.99448	2.6
117.07033	6.0
117.44963	2.2
119.08585	11.8
121.10171	2.7
123.11717	2.7
129.07002	2.9
131.07652	2.3
131.08585	6.1
133.10133	9.0
137.13232	2.0
145.10127	4.3
147.11662	6.7
155.01042	100.0
161.09550	2.0
161.13312	1.8
169.10118	2.0
171.11682	5.0
173.88777	2.1
179.14281	4.6
188.78050	1.7
196.03763	1.8
207.13834	1.6
239.23705	10.8
257.18994	1.9
263.50168	1.7
275.20084	22.6
291.19370	1.8
293.20944	1.9
313.27353	76.3
314.27365	1.9
317.06384	7.5
349.01556	2.0
349.76590	1.7
393.23950	9.4
394.12537	2.1
401.29160	8.7
537.28125	3.3
555.37207	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	553.0576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02568	0.8
60.32181	0.8
70.59273	2.4
93.05701	0.8
94.93025	6.7
112.78312	1.0
112.89605	13.8
134.42538	0.8
136.94023	2.2
164.93542	0.9
166.95045	1.3
168.92165	4.1
186.93195	7.1
198.86301	0.9
210.94080	100.0
228.94276	9.4
246.95340	10.6
248.89709	4.3
270.95297	10.2
282.95435	1.3
288.96454	3.7
300.96320	3.7
318.97464	0.9
330.97299	4.6
372.98416	3.3
381.07919	16.8
390.99454	2.1
419.03574	3.5
455.11646	1.6
552.95532	2.2
553.04810	6.7
553.12720	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	552.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.2
55.01877	2.7
55.05511	25.0
57.03445	2.4
57.07073	5.1
59.05009	3.0
61.02918	1.9
67.05507	24.0
69.03422	14.6
69.06720	3.5
69.07069	43.3
69.07450	2.1
71.01352	2.7
71.04998	22.0
73.02934	2.1
79.05499	19.6
81.03416	5.1
81.07059	59.5
83.04974	6.0
83.08619	8.1
85.02905	16.0
85.06525	3.1
86.09681	3.7
91.05479	12.4
93.07044	61.9
95.04960	15.1
95.08609	43.5
97.02892	5.9
97.06541	11.6
97.10167	49.4
97.10777	3.3
98.32523	1.8
99.04472	2.7
105.07027	21.4
107.08591	40.0
109.06507	6.9
109.10155	47.8
111.08081	5.6
111.11716	11.5
113.09675	3.5
117.06996	3.6
119.08574	22.8
121.06523	6.1
121.10145	80.7
123.08061	5.6
123.11714	21.7
125.06047	2.2
125.09607	14.7
127.03910	2.5
129.06987	2.4
131.08582	6.8
133.10129	13.5
135.08067	7.2
135.11696	36.7
137.09607	12.9
137.13226	4.5
139.07564	2.0
139.11176	30.6
143.10657	15.0
145.10118	24.3
145.11160	3.0
147.11705	10.8
149.09639	7.3
149.13258	14.1
151.07518	2.4
151.11188	8.2
153.12689	8.8
155.10667	5.6
157.10133	6.1
157.12218	11.3
159.10495	2.2
159.11685	13.5
161.09610	5.2
161.13268	6.0
163.11162	22.9
165.09128	5.5
165.12804	6.2
167.10655	3.3
173.11790	2.2
173.13254	5.0
175.11241	6.7
175.14809	2.3
177.12787	5.8
179.10686	3.0
181.12216	22.7
185.13297	2.6
187.13316	6.0
187.14886	3.1
189.11226	4.6
189.12749	2.8
195.13870	3.1
199.13268	4.5
203.12741	3.4
203.14455	2.5
205.15903	2.0
207.13861	2.0
213.16422	2.8
255.21066	3.1
257.19016	2.9
273.22107	10.6
275.20026	12.0
283.20679	5.6
289.21701	2.9
291.23157	22.1
293.21109	48.6
293.24280	3.5
297.24472	2.1
301.21634	40.9
307.22659	11.2
309.24155	7.6
315.65021	1.9
319.22675	67.0
325.23746	17.9
337.23737	100.0
338.24155	2.1
355.24826	16.2
373.25760	2.9
408.11359	2.2
432.19662	2.0
552.31561	6.0
562.98328	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	551.431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	14.6
57.03446	4.1
57.07077	35.4
67.05506	20.8
67.33397	3.1
69.07094	14.9
70.26748	9.4
71.05044	3.6
71.08638	24.2
79.05506	11.7
81.03426	31.0
81.07067	24.1
83.04998	6.0
83.08601	15.6
85.02926	12.3
85.10205	11.8
91.05488	16.6
93.07066	10.7
95.04975	18.7
95.08604	20.7
97.10208	9.5
105.07071	12.6
107.08630	4.8
109.10175	7.7
111.08114	7.2
119.08618	8.6
121.10186	8.1
123.11738	5.0
129.07034	7.4
131.08591	5.1
133.10120	6.1
147.08127	3.2
147.11745	6.0
149.09653	4.7
157.10208	7.2
175.11263	5.1
193.12282	27.0
210.28784	3.2
211.13289	21.7
267.16040	7.9
267.26978	3.5
324.36182	3.7
341.30753	8.2
519.37152	3.6
533.42169	4.4
551.43243	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	552.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
55.05503	1.7
57.03428	0.3
57.07068	0.5
61.02916	0.7
67.05495	1.2
67.34981	0.3
69.03423	1.3
69.07065	5.0
70.06584	1.9
71.04992	0.7
72.08153	0.4
73.02928	0.5
78.63464	0.4
79.05479	0.9
81.03396	1.0
81.07058	1.9
83.04984	0.6
83.08615	1.2
83.71843	0.3
84.04480	0.5
84.08138	0.4
85.02909	3.6
85.06559	0.3
86.09714	1.5
91.03955	0.5
91.05472	1.8
93.07051	1.5
95.04964	0.5
95.08600	4.3
97.02891	1.6
98.97586	0.6
105.07030	5.9
107.08627	1.7
109.02862	0.3
109.10165	4.1
117.07000	0.7
119.08583	25.1
120.08110	1.2
121.10136	2.1
123.08025	0.4
123.11641	0.3
126.05182	0.3
127.03900	0.9
129.10283	0.3
131.08534	0.8
133.10130	22.8
135.11693	2.4
136.07593	0.5
137.05977	0.5
137.09636	2.1
145.04895	0.7
145.10115	1.6
147.11659	3.4
149.13237	0.8
151.14799	0.7
160.12389	0.6
162.11946	0.4
173.13271	1.0
175.14822	100.0
177.16495	0.8
191.14357	0.5
193.15883	14.7
198.06541	0.4
209.15472	0.4
235.61751	0.3
237.02818	0.5
277.11118	0.5
305.11118	0.4
355.21286	0.3
358.13629	1.6
358.64075	0.9
371.21149	0.3
445.95135	0.4
534.28778	1.2
552.31836	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	1.1
51.85570	1.1
53.03932	2.7
55.01870	6.7
55.05500	5.8
55.95712	1.0
57.03437	12.4
57.07058	1.5
61.02924	10.4
65.03919	1.6
66.84141	1.3
67.05502	22.2
69.03428	27.4
69.07059	9.9
70.48515	1.3
70.99613	3.1
70.99970	1.1
71.01331	3.8
71.04993	2.1
73.02916	62.2
73.45991	1.3
79.05072	1.3
79.05495	15.9
81.03416	7.5
81.07053	45.0
83.04967	1.7
83.08611	2.9
85.02905	55.4
87.04445	3.9
91.03932	1.8
91.05478	20.3
93.07039	31.3
95.04974	6.4
95.08604	55.2
97.02285	2.5
97.02890	42.0
97.06516	2.2
97.10151	3.1
99.04462	2.9
103.03929	3.0
105.07030	56.5
106.92162	1.4
107.07863	2.6
107.08591	51.3
109.02866	4.4
109.06530	2.3
109.10148	37.8
111.04434	1.5
111.11671	1.3
115.03926	23.6
117.07027	2.0
119.08584	41.1
121.10132	18.7
123.08067	1.2
123.11707	11.1
127.03915	17.7
131.08536	3.3
133.04973	24.5
133.10127	26.1
135.11691	16.0
137.13228	1.2
145.04945	21.4
145.10118	6.0
147.11685	48.1
149.13264	3.5
151.11188	1.7
157.10115	2.9
159.11687	5.7
161.09592	1.6
161.13239	16.8
163.06010	5.7
163.14792	7.7
171.11604	2.1
173.13200	2.2
175.14819	6.1
178.56610	1.2
183.10176	1.3
187.14799	1.2
189.16422	3.9
192.65312	1.3
201.16335	3.5
203.17949	100.0
205.19450	1.8
213.16333	2.7
215.18013	2.9
221.19037	9.3
223.05968	2.7
230.28906	1.3
241.07024	4.4
259.08109	4.2
295.10120	2.3
317.21057	2.1
335.21936	4.0
425.13760	1.3
550.26904	3.1
550.34467	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42998	0.8
50.79193	0.8
55.01865	2.9
55.05478	0.8
60.77136	0.8
67.05492	1.9
69.03428	2.5
70.03716	4.1
70.06575	2.1
71.04975	1.9
72.08154	0.9
79.05492	7.7
81.07043	1.9
83.04980	0.9
85.02903	3.1
86.09705	1.6
90.63091	0.8
91.05487	5.6
93.07032	2.2
95.04969	3.9
95.08601	1.7
96.05295	1.4
97.02892	1.4
97.06535	1.4
103.05465	16.9
105.07033	64.8
106.07359	1.9
107.04942	2.1
107.08582	1.7
109.06545	2.0
111.08087	1.5
113.06011	1.9
115.05456	14.2
117.07010	1.4
118.04144	7.8
119.04939	3.0
119.08570	1.2
120.08071	1.4
121.06489	1.6
121.10123	1.0
129.07092	0.8
131.04942	11.8
132.05789	1.0
133.06490	58.9
135.08089	1.3
137.05972	3.9
141.05499	1.2
142.07742	1.6
143.05028	1.1
143.06062	3.8
145.10129	1.4
146.03641	1.0
146.10384	1.4
147.04443	4.0
148.05208	6.1
157.10115	2.7
158.10493	2.8
159.07899	0.9
159.11761	1.1
161.05981	100.0
163.07535	11.1
163.11229	1.0
167.07080	1.1
167.69818	0.8
176.04765	0.9
176.11522	1.2
179.07043	2.4
185.09657	2.6
186.09966	2.8
188.11626	1.0
191.07027	66.6
192.39761	0.9
193.08609	44.8
203.10619	1.4
204.11029	2.3
207.13791	0.9
213.09026	1.2
214.09431	2.7
231.10170	1.5
232.10597	2.2
272.65344	0.9
315.12872	0.9
336.11243	1.9
354.12524	1.5
389.23462	1.4
440.53909	1.1
519.14813	1.1
551.17102	1.9
551.28937	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	550.3226
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82458	0.8
53.03943	2.0
55.01875	8.3
55.05507	9.4
55.67710	0.8
57.03437	17.4
57.07074	2.0
59.04998	1.7
61.01284	0.8
61.02929	13.3
65.03938	2.2
66.81689	0.9
67.05508	23.6
68.57548	0.8
69.03429	34.9
69.07072	10.7
71.01354	3.5
71.04986	2.8
71.08648	1.1
71.60799	1.6
72.08144	2.1
73.02919	63.5
79.05494	15.7
81.03414	7.3
81.07058	50.4
83.04972	2.7
83.08614	3.3
85.02908	61.2
86.09693	1.4
87.04465	3.5
91.03961	2.0
91.05484	21.5
93.07045	39.3
95.04970	6.3
95.08609	60.8
97.02892	46.2
97.06529	2.1
97.10175	3.5
97.21783	0.9
99.04450	3.5
99.08073	1.5
103.03924	3.7
103.05461	1.9
105.07034	70.5
107.08597	61.6
109.02886	6.6
109.06525	4.1
109.10156	46.7
111.04422	1.0
111.08069	1.5
111.11721	1.3
115.03156	1.6
115.03938	26.3
117.07049	2.4
119.08585	46.9
120.08985	0.9
121.06504	1.9
121.10147	23.5
121.11020	1.2
122.97723	0.8
123.04401	0.8
123.08118	1.6
123.11705	10.5
123.83987	0.9
125.06094	0.9
125.09593	1.3
127.03924	22.8
129.05475	0.9
129.06987	1.4
131.08565	3.7
133.04974	23.9
133.10133	32.3
135.11691	18.3
137.05992	1.2
137.13293	1.1
139.11308	0.9
143.08575	1.5
145.04958	22.7
145.10114	8.2
147.11691	50.5
149.13252	3.2
151.11182	2.0
153.05412	1.0
155.08589	1.3
157.04965	1.3
157.10191	2.4
159.11699	4.8
161.13251	17.1
163.05969	5.0
163.14845	7.3
165.09103	0.9
165.12752	1.2
169.08546	0.9
171.11728	1.9
173.08047	0.8
173.09662	1.4
173.13280	2.4
175.11189	0.9
175.14842	9.5
177.16409	1.1
183.11728	1.4
185.13382	1.3
187.09714	1.8
187.14877	2.3
189.16403	3.1
193.05046	1.1
199.05968	1.3
201.16396	3.8
203.17966	100.0
203.49722	0.8
205.19432	1.1
213.16458	1.9
215.18008	2.1
217.07140	1.4
221.18994	11.1
223.05997	3.7
224.33806	0.9
227.17920	1.0
241.07050	4.0
259.08286	5.6
259.16980	1.0
277.09158	1.2
295.10403	2.0
299.19971	2.3
317.21103	3.8
320.04669	0.9
329.20969	1.2
335.22107	4.0
365.23309	1.4
433.06741	1.2
452.65747	1.0
459.27448	0.9
550.27063	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	550.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45226	1.6
55.01871	5.3
55.05510	2.6
57.03426	2.8
57.07082	2.1
60.04521	1.8
61.15474	1.7
62.33956	1.4
65.03931	3.9
67.05504	16.0
69.03431	15.1
69.07070	5.2
69.60258	11.9
69.62310	1.6
70.06593	8.1
70.21702	1.9
71.04994	9.8
72.08150	3.0
73.02921	2.5
74.49160	1.5
79.05483	15.6
81.03404	4.4
81.07050	16.5
83.04983	15.9
84.08171	2.3
85.02908	19.1
85.06529	3.9
86.03242	3.0
86.09717	4.2
87.00840	7.5
87.04520	1.7
90.61112	1.8
91.05487	20.9
93.07041	19.0
95.04964	45.6
95.08616	6.3
97.02918	12.2
97.06534	13.1
98.97581	1.8
99.04466	4.8
99.08128	1.7
105.01886	1.8
105.07025	36.4
107.04976	11.1
107.05623	1.6
107.08601	22.0
109.06510	20.8
109.10159	2.0
111.04414	5.5
111.08073	12.7
112.03914	1.8
113.06002	31.9
115.05475	3.5
117.07046	9.0
119.04937	6.8
119.08591	13.6
121.06510	36.4
121.10132	5.7
123.04420	5.9
123.08040	4.6
125.06006	2.2
126.93652	1.7
127.03860	4.0
128.06195	4.4
129.05507	2.4
129.06993	11.8
130.07841	2.2
131.05009	2.6
131.08569	14.7
133.06490	18.1
133.10126	13.1
135.04419	3.9
135.08054	3.3
135.11719	10.1
137.05971	23.0
137.09616	1.9
141.05467	39.6
141.06967	5.2
142.07762	29.4
143.08548	17.5
144.09325	3.8
145.04936	2.8
145.06520	10.6
145.10123	18.1
146.07234	2.2
147.08105	4.8
147.11656	8.9
149.05960	2.0
149.09647	6.3
149.13246	2.3
151.07555	4.1
153.05396	2.3
154.07713	2.0
155.08549	1.9
157.06503	3.1
157.10124	63.2
158.07254	2.6
159.06540	9.4
159.08063	12.2
159.11681	29.0
161.05937	3.4
161.09619	27.7
161.13286	5.4
163.07611	3.4
163.11165	20.2
165.06897	1.8
167.07239	2.0
167.08585	8.0
169.10109	2.9
170.07265	7.2
171.08092	5.9
173.09683	5.4
175.11183	23.0
175.14783	2.5
177.12741	4.8
181.12213	2.8
185.09621	87.4
187.11122	17.7
189.09155	9.5
189.12762	7.3
191.10675	2.6
195.08014	4.7
198.06799	3.6
199.06010	3.0
203.10672	74.6
205.12225	8.2
206.04596	1.8
207.13812	20.0
208.14056	9.7
213.09103	78.8
221.11761	10.9
225.14891	3.8
227.05502	4.0
231.10172	100.0
245.06551	24.0
249.11235	29.0
255.11269	2.1
259.49982	1.8
267.12268	7.4
289.10562	2.2
291.12271	5.6
307.11731	18.7
314.12109	4.2
317.10251	5.9
335.11237	37.0
343.12372	2.0
353.12274	40.1
371.13406	19.9
387.20114	2.5
388.23325	4.8
490.15036	1.9
518.15228	4.2
550.17474	5.9
550.26581	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	550.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56247	1.3
53.00299	1.5
53.03931	2.0
55.01859	6.8
55.05508	3.6
57.03437	2.2
60.04528	2.1
61.02914	2.8
62.25760	1.3
63.41073	1.4
65.03934	2.6
67.05501	15.5
69.03429	17.8
69.07064	4.2
70.06577	5.0
70.74229	5.0
71.01338	2.0
71.04993	7.2
72.08142	5.0
73.02919	2.1
79.05495	22.5
81.03420	9.2
81.07059	17.9
83.04986	19.0
84.08125	1.9
85.02911	22.2
85.06535	3.7
86.09711	4.2
87.00832	1.9
91.03954	2.0
91.05486	21.8
93.07040	15.5
95.04977	43.0
95.08605	14.6
96.61073	1.3
97.02887	15.4
97.06538	12.4
97.07604	1.4
97.99980	1.6
99.04451	5.1
101.06059	1.8
103.05447	3.9
105.01876	1.7
105.07034	76.7
105.83992	1.4
107.04977	8.1
107.08596	16.3
109.02887	1.8
109.06530	21.5
111.04427	2.2
111.08092	2.3
113.06009	15.1
115.05449	4.6
117.07014	8.4
119.04950	15.4
119.08586	11.9
121.06513	29.2
121.10146	2.9
123.04425	8.8
123.08029	4.0
125.06014	2.8
127.03912	9.2
128.06181	4.6
129.05507	2.6
129.06999	16.6
131.04916	2.2
131.08574	21.7
133.06496	28.4
133.10127	10.2
134.07274	2.5
135.08041	5.8
136.07576	1.8
137.05980	16.5
141.05467	32.3
141.06969	5.2
142.07771	28.9
142.08786	2.4
143.08551	9.9
144.05617	2.4
144.09344	4.0
145.04942	4.1
145.06479	10.6
145.10127	13.6
146.07254	2.8
146.10901	3.5
147.08029	7.5
147.11697	11.5
148.12012	3.0
149.06004	1.9
151.07535	6.3
152.06174	2.5
154.07771	4.3
155.08549	3.5
157.06479	3.4
157.10133	54.7
158.07253	5.6
159.06677	3.0
159.08043	21.8
159.11684	22.5
160.08801	2.3
161.06035	3.0
161.09622	15.7
162.07669	2.4
165.12726	2.8
166.07726	1.8
166.13104	2.3
167.07158	1.9
167.08549	8.4
168.07455	2.0
169.10117	6.6
170.07278	9.9
171.06764	1.6
171.08022	8.5
172.08913	2.9
173.06015	1.7
173.09637	24.7
175.11188	38.2
177.09129	3.5
177.12724	2.1
180.07263	2.7
180.08705	6.5
185.09618	100.0
187.11171	13.7
189.09152	5.1
195.08009	9.4
198.06786	3.3
203.10669	74.7
205.12248	6.8
207.13797	2.2
208.14194	3.1
213.09100	75.7
221.11707	35.0
231.10181	48.7
245.06488	9.9
249.11244	47.2
252.09450	1.6
267.12262	7.1
289.10675	3.0
291.12234	10.8
302.26923	1.7
307.11792	15.8
309.13373	11.6
317.10248	29.1
325.12744	4.6
333.12045	5.7
333.61768	1.6
335.11249	95.5
342.11896	1.9
343.12711	1.6
353.12323	96.6
354.12366	1.9
371.13342	6.9
518.14825	4.9
550.19379	7.3
550.32312	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	550.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.5
55.01861	1.9
55.05504	2.0
57.03427	0.9
58.91800	0.6
61.02927	0.8
61.63049	0.7
65.03944	0.9
67.05508	4.6
67.39757	0.5
69.03426	7.6
69.07051	0.8
70.06581	1.5
70.75565	2.0
71.04988	1.8
77.03935	0.7
79.05494	9.0
79.61059	0.6
81.03404	2.0
81.07053	5.1
83.04982	11.5
85.02896	7.1
86.09695	1.4
87.00861	1.0
87.04452	0.8
91.05482	11.8
93.07030	4.0
95.04964	7.9
95.08605	19.3
97.02895	3.7
97.06527	5.4
99.04480	1.8
100.79675	0.6
103.05461	1.9
105.07031	68.8
107.04958	3.0
107.08588	9.9
109.06522	5.1
109.10165	0.8
111.04429	1.2
113.06007	2.6
113.11142	0.7
115.05434	2.2
117.07018	6.4
119.04913	2.3
119.08581	8.7
120.08077	1.2
121.06499	9.6
121.10191	0.7
123.04410	1.2
123.08053	1.8
125.06003	2.1
126.08141	0.6
127.03081	1.1
127.03917	12.8
128.06200	1.6
128.41736	0.7
129.05469	0.8
129.07008	7.5
130.07799	1.6
131.08569	17.0
133.06499	9.8
133.10130	9.4
135.04533	0.7
135.08067	2.1
137.05983	1.8
141.05426	3.9
141.06981	3.6
142.07771	17.4
143.08557	6.6
144.05733	0.9
144.09354	5.9
145.05060	0.9
145.06477	4.5
145.10121	14.3
146.07272	1.7
146.10890	3.4
147.08096	3.2
147.11681	11.1
149.09639	1.1
151.07504	5.6
155.08530	1.4
157.10129	39.8
158.07246	2.5
159.08087	8.3
159.11694	27.5
160.08841	1.4
161.06001	1.3
161.09601	10.3
167.08536	1.8
169.10080	1.4
170.07300	3.4
171.08028	1.5
172.08910	0.9
173.09637	7.4
175.11176	23.3
177.09105	2.3
177.12752	1.4
180.08624	1.8
185.09616	42.4
187.11191	4.6
189.09267	1.6
193.12218	0.9
198.06728	0.7
203.10667	100.0
207.10054	1.6
213.09094	14.6
221.11716	44.6
231.10143	13.3
245.06593	1.0
249.11227	9.4
279.12350	1.2
289.10623	5.8
291.12283	3.1
297.40588	0.7
303.04984	2.0
307.11771	39.8
309.13245	1.3
311.11182	0.9
317.10132	1.2
325.12769	11.2
335.11252	23.3
335.15372	1.3
353.12302	14.8
371.13379	1.3
550.25714	0.9
576.13263	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	2.3
53.73532	1.8
55.01865	5.6
55.05502	3.0
57.13608	1.6
65.03946	3.1
67.05511	13.0
69.03420	10.0
69.07072	3.5
70.06586	6.6
70.87075	6.4
71.01364	2.2
71.04993	4.6
72.08151	3.9
72.62282	2.2
76.04075	2.0
79.05496	17.8
81.03386	4.5
81.07061	14.9
83.04974	16.0
84.04534	2.0
85.02911	13.1
86.09695	4.4
87.00833	4.1
87.04486	3.2
91.05477	20.2
93.07034	15.5
95.04377	2.1
95.04974	35.3
95.08615	7.1
97.02893	9.6
97.06543	12.3
99.04454	2.5
105.01820	2.8
105.07033	40.8
107.04962	7.5
107.08604	26.6
109.02872	4.3
109.06511	14.9
109.10167	2.5
110.06094	2.1
111.04450	2.2
111.08075	3.3
113.06005	23.5
115.05430	4.5
117.07011	7.4
119.04969	10.1
119.08604	9.9
121.06510	31.3
121.10116	4.2
122.52583	1.7
123.04426	7.3
123.08131	3.0
125.06017	5.3
127.03931	5.1
127.07534	3.2
128.06232	3.5
129.06981	12.8
130.07796	2.0
131.08562	21.7
133.06540	12.4
133.10143	8.2
135.04401	2.7
135.08044	4.0
135.11745	3.3
137.05981	18.6
141.05490	27.7
141.06964	5.6
142.07790	36.4
143.08553	13.6
144.09398	3.3
145.05046	2.4
145.06488	11.9
145.10115	14.8
147.08029	3.7
147.11707	5.8
151.07553	4.7
157.06551	2.4
157.10133	80.9
158.07309	2.7
159.06563	6.0
159.08055	13.9
159.11693	32.9
161.05945	2.7
161.09581	11.6
163.11208	8.6
167.07161	2.7
167.08598	7.7
169.10120	5.9
170.07269	6.8
171.08072	5.2
173.09651	4.4
175.07588	3.2
175.11186	18.3
177.12682	2.0
185.09618	100.0
187.11143	16.1
189.09160	7.2
195.08009	2.0
198.06749	4.7
203.10675	92.2
203.30487	2.0
205.12151	4.3
213.09111	78.3
221.11725	12.7
231.10176	86.3
245.06555	14.7
249.11238	21.6
267.12244	7.4
289.10455	2.7
291.12271	14.3
303.05038	3.4
307.11890	14.9
309.13452	2.5
317.10150	7.4
325.12656	3.4
335.11246	84.1
353.12314	34.0
371.13330	11.5
388.26947	3.7
550.19275	3.4
550.32202	4.4
550.39764	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	550.1768
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81548	2.2
53.29102	2.0
57.03444	2.4
69.03432	3.6
71.06655	5.9
85.02911	15.5
89.77688	2.0
97.02885	6.9
99.04401	2.3
117.03417	2.4
125.11822	2.4
135.04419	7.4
139.03979	2.9
145.02898	4.5
147.04405	3.7
153.05469	100.0
155.09708	2.0
163.03908	90.4
177.01866	4.4
181.05003	5.6
187.03941	2.2
189.05461	2.9
195.06525	53.6
203.03375	41.3
205.05038	5.3
215.03429	6.1
216.74370	2.1
231.02875	4.8
233.04424	4.7
254.67642	2.3
261.03955	6.1
275.05545	3.3
279.04999	12.4
291.04916	11.9
321.06091	10.4
339.07114	69.3
339.11057	4.8
366.01282	2.3
371.09537	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	548.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95672	2.0
55.01871	2.7
55.05509	13.9
57.03443	12.2
67.05515	25.0
69.03419	7.3
69.07056	8.4
70.62312	2.8
70.62631	5.3
79.05493	21.6
81.03419	78.8
81.07071	22.5
83.04987	10.2
83.08604	21.4
85.02902	14.1
91.05485	28.4
93.07053	18.0
95.04977	30.4
95.08619	13.2
97.02864	4.6
97.06512	6.1
97.10161	5.7
99.08076	2.3
105.07030	19.2
107.04976	9.8
107.08583	12.4
109.06496	5.7
109.10143	5.8
110.10397	2.1
111.04424	3.1
111.08068	11.7
117.07015	3.5
119.08583	19.2
121.06483	4.9
121.10130	10.7
123.08066	4.1
129.06996	13.5
131.08572	11.7
133.06509	4.9
133.10123	8.8
135.08069	2.7
137.09641	3.8
142.07733	3.9
145.06500	4.7
145.10097	5.7
147.08066	6.4
147.11682	12.9
149.09613	8.5
155.08473	2.0
157.10132	14.1
165.12680	2.5
175.11162	12.9
184.07378	3.3
193.12254	29.0
211.13286	22.7
257.04730	2.0
260.05301	2.1
267.15924	100.0
285.16983	24.1
286.05042	2.0
287.05472	2.5
288.05835	4.9
289.05582	7.8
293.17337	2.6
351.24774	2.1
367.22562	8.8
384.11575	12.2
385.11844	8.5
385.23822	12.0
386.11996	13.2
433.25641	7.1
441.26550	2.5
459.21106	3.5
459.27390	46.1
477.22116	3.8
477.28442	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	549.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.9
55.01873	3.3
55.05495	1.8
57.03436	4.9
59.04978	1.0
61.02891	8.6
65.44157	0.7
67.05487	2.9
69.03427	21.8
69.07053	2.0
70.06567	2.2
71.05006	3.4
71.05316	0.6
71.60513	0.8
72.08136	1.5
73.02934	3.5
73.03243	0.7
74.06059	0.7
77.28513	0.6
79.05495	4.4
81.03416	7.7
81.07058	6.4
83.01337	1.0
83.04961	1.7
85.02906	39.3
85.06531	1.7
86.09675	2.0
86.83595	0.6
87.04482	3.8
91.03930	2.7
91.05485	4.9
93.07040	9.0
95.04958	3.3
95.08617	5.5
97.02280	1.1
97.02891	17.3
97.06507	1.7
98.03206	0.7
98.97585	0.8
99.04445	2.8
105.07032	9.3
107.04954	1.4
107.08598	10.1
109.02885	5.6
109.06516	4.6
109.10152	5.8
111.08086	1.1
113.06009	0.7
115.03880	1.0
115.07503	0.7
117.06982	1.7
119.08569	9.1
120.08105	0.8
121.02847	1.4
121.06503	8.7
121.10153	6.3
123.08067	15.1
123.11691	2.3
125.05982	0.9
125.09623	1.1
127.03925	9.6
131.04950	0.7
131.08583	4.6
133.10124	9.6
135.08076	7.2
135.11662	3.7
137.05949	1.9
137.09621	3.4
139.11171	1.0
139.65492	0.7
143.08583	1.6
145.04961	6.9
145.10106	2.6
147.04329	0.7
147.08044	1.8
147.11693	6.3
149.09621	13.8
149.13261	2.3
151.07544	1.3
151.11174	15.9
156.09348	1.3
159.11682	5.6
161.09651	1.2
161.13225	6.4
163.06094	0.8
163.11206	7.5
163.14792	1.7
165.12733	5.4
171.06491	0.9
171.11661	1.7
173.13240	2.2
177.12744	11.0
179.14264	4.3
181.12248	9.6
185.09570	0.7
189.12737	11.9
191.14307	13.1
195.13789	5.5
197.11732	1.0
204.06531	1.1
205.12169	0.9
207.13803	100.0
208.14218	0.7
209.15436	3.2
218.05754	0.8
223.13322	1.5
225.14862	25.4
295.05939	1.0
297.06729	0.8
303.78027	0.7
307.15363	1.2
309.07217	1.3
321.07184	1.0
323.08710	0.8
326.08023	0.7
327.07785	1.0
339.17792	1.2
351.18018	1.6
369.19000	10.1
371.20807	2.0
381.08701	1.6
387.19968	8.8
387.24405	1.0
393.09085	0.8
405.09000	1.4
411.09698	1.6
418.14252	0.8
453.11066	1.4
471.11865	1.3
482.11877	0.8
483.12143	1.6
495.12341	0.9
513.12964	1.9
531.14148	2.3
549.18555	2.7
549.25446	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.3
54.90263	1.5
55.01875	3.1
55.05261	2.2
55.05513	27.7
56.23836	1.3
57.03428	7.1
57.07064	6.0
57.95271	1.4
67.05505	50.1
69.03410	1.8
69.07067	31.3
71.05008	3.8
71.08632	3.5
71.60207	2.1
71.60564	1.6
78.94847	1.4
79.05495	27.4
81.03419	28.4
81.07056	49.9
83.04976	7.7
83.08623	27.2
85.02905	13.7
85.06565	3.0
85.10206	1.8
91.05476	28.2
93.07052	25.5
95.04979	14.8
95.08611	30.8
97.06523	4.0
97.10184	7.1
99.04409	1.6
105.07033	20.9
107.04954	2.8
107.08595	22.5
109.06516	5.3
109.10151	29.5
111.04466	1.7
111.08104	6.0
113.06004	2.2
117.07058	2.9
119.08602	11.4
121.10143	16.5
123.11726	6.5
127.07568	2.1
129.07043	5.8
131.08603	8.3
133.10126	24.8
135.11716	8.2
137.13235	2.4
142.07750	1.8
143.08627	1.9
145.10109	2.0
147.11699	7.7
149.09680	2.1
149.13271	3.2
151.11172	9.0
157.10139	5.9
159.11769	2.6
163.14861	1.8
165.12784	2.0
169.12312	2.2
173.13293	3.4
175.11189	4.2
187.14880	2.1
193.12224	24.4
194.12677	1.7
207.47314	1.7
211.13264	31.5
243.21136	2.4
253.14360	25.3
261.21967	7.6
265.25418	3.3
267.16061	6.7
271.15497	9.2
293.17535	2.0
335.25638	9.3
339.28876	4.8
400.48050	1.7
413.16760	1.7
450.64563	1.6
513.35675	2.3
531.37738	6.1
549.41577	100.0
550.42108	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	547.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	7.0
55.05511	14.3
57.03437	11.5
57.07067	4.6
57.68920	1.8
59.85709	1.9
64.49120	2.0
65.03918	3.0
65.75305	1.7
67.05501	69.1
69.03410	4.5
69.07062	19.2
70.46288	7.2
71.04986	5.3
79.05061	3.3
79.05490	47.6
81.03394	3.9
81.07055	61.4
83.04990	11.0
83.08617	6.0
85.06538	10.0
91.05478	71.2
93.07037	46.3
95.04990	10.6
95.08604	24.3
97.06547	5.1
97.10177	3.4
99.04456	3.7
99.08107	2.9
105.07030	66.9
107.04995	2.5
107.08596	46.4
109.06512	9.3
109.10155	60.9
111.08101	2.2
113.05988	3.0
117.07003	7.4
119.08578	37.2
121.10130	13.8
123.08060	2.7
123.11688	14.0
125.09666	2.9
127.07569	2.3
129.06984	7.5
131.08546	20.8
132.93269	2.5
133.10127	100.0
135.11697	17.1
143.08540	7.7
145.10114	12.8
147.08014	3.1
147.11682	28.6
149.09602	3.0
149.13258	7.3
151.11177	37.3
157.10104	8.0
159.11710	12.6
161.09583	2.2
161.13258	26.9
163.11198	3.4
163.14780	3.4
169.10132	3.6
169.12212	9.2
171.11674	7.5
173.13261	9.2
175.14828	12.7
185.13319	5.8
187.14780	3.8
199.14816	5.7
215.12724	4.3
219.56055	1.9
231.21031	6.3
241.19473	32.3
250.71657	2.3
253.14352	79.0
259.20569	61.6
268.43500	2.5
271.15402	53.0
275.20071	3.9
277.21576	4.9
315.23080	5.7
333.24249	34.1
351.25360	2.1
392.47443	2.2
420.40439	2.2
437.30444	2.1
488.59985	2.0
511.34052	9.4
529.35187	25.8
547.37274	13.8
547.46423	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	548.3069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88712	0.9
55.01889	0.9
55.05509	4.6
55.94653	1.0
56.96570	1.1
57.03430	1.8
57.07056	0.9
61.02925	3.6
63.90899	1.0
67.05503	7.5
69.03432	14.4
69.07068	4.1
70.06604	6.3
70.81239	0.8
71.04995	2.4
71.08629	10.0
71.61079	2.0
72.08155	3.1
73.02911	2.5
79.05490	3.6
81.03423	7.2
81.07062	19.2
83.04978	1.3
83.08615	1.9
83.81206	1.0
84.08142	1.9
85.02908	18.1
85.06555	2.0
86.06074	29.9
86.09725	1.3
87.04471	3.1
91.04065	0.8
91.05477	6.3
93.07035	7.6
95.04980	2.6
95.08616	5.6
96.08113	7.2
97.02901	11.2
97.06499	1.5
98.09689	10.7
98.97572	1.0
99.04454	4.2
99.08100	13.0
105.07043	3.0
107.08587	2.5
108.08133	2.5
109.02880	5.8
109.06521	16.2
109.10158	3.9
111.04449	2.4
114.09165	2.2
116.10734	69.1
116.98637	1.1
119.04941	1.2
119.08618	1.4
121.10101	2.0
122.09665	2.4
123.11755	1.6
124.07601	3.8
127.03929	11.4
127.07574	3.4
131.08510	1.2
133.10129	1.4
135.11693	1.6
137.05994	15.1
142.08658	12.0
142.12267	2.2
143.10669	2.3
145.04965	3.5
145.10139	2.0
147.04375	1.6
147.11659	1.8
149.09647	1.8
153.09138	1.4
154.15964	1.4
155.07031	2.5
159.11713	1.5
173.08142	2.5
183.10223	1.4
184.07359	1.0
199.09715	1.1
206.15514	1.2
208.16785	1.1
212.58846	1.0
214.18031	24.4
226.18030	6.1
228.15988	2.2
243.12172	1.9
252.15952	8.5
257.04532	1.4
261.13354	3.3
264.26898	16.9
270.14362	1.6
270.17038	16.4
272.06311	1.1
282.24576	2.4
282.27856	14.1
288.18063	100.0
300.21732	1.0
300.25696	1.9
300.29016	13.4
351.21606	1.1
368.24356	3.2
369.09769	1.8
376.23224	4.5
384.11636	1.2
385.11795	2.2
386.11990	1.3
386.25372	42.4
387.10764	3.5
393.19452	1.3
411.20590	5.2
450.23343	30.7
504.35413	8.8
530.29553	1.6
548.35095	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
53.54419	0.2
55.01864	1.0
55.05511	6.9
55.05750	0.3
56.04998	1.0
57.03436	2.2
57.07022	0.7
58.06600	2.3
59.04935	0.2
61.02929	2.3
65.03892	0.3
65.41008	0.2
67.05503	8.1
67.05837	0.3
68.84369	0.3
69.01606	0.2
69.03429	13.6
69.03789	0.5
69.07069	5.3
70.06591	13.6
70.06946	0.5
71.01328	0.4
71.04996	1.6
71.07336	0.3
71.08630	2.0
71.60992	0.3
72.08109	0.7
73.02911	2.2
79.05493	2.8
81.03417	9.9
81.07055	9.7
82.06573	1.4
83.01288	0.3
83.04979	0.3
83.07332	0.3
83.08626	2.3
84.08141	1.3
85.02904	18.4
85.06516	0.5
85.33371	0.2
86.06065	6.1
86.09663	0.4
87.00762	0.7
87.04440	0.6
91.03892	0.4
91.05486	1.2
93.07050	2.7
94.06524	0.3
95.04899	0.6
95.08607	7.7
96.08131	5.5
97.02888	6.9
97.06493	0.4
97.08914	1.1
97.10124	1.0
98.06053	0.3
98.09695	4.7
99.04458	4.4
99.08089	2.7
100.07565	0.3
100.11214	0.6
101.02338	0.6
103.03947	2.2
105.01817	0.6
105.07000	0.6
107.08575	1.5
108.08064	0.5
109.02879	9.1
109.06516	3.2
109.10149	2.6
110.09680	1.5
110.10342	0.3
111.04395	0.5
111.08009	0.2
114.09149	2.2
115.03876	0.6
116.10728	14.1
119.08510	0.3
121.06502	0.2
121.10076	1.0
122.09639	0.2
123.11647	0.6
124.07555	0.6
124.11182	0.3
127.03915	12.4
127.07494	0.8
129.01840	0.3
135.10402	0.3
135.11650	0.7
138.12727	1.0
140.10657	0.4
142.08627	3.2
142.12239	0.5
143.10620	0.7
145.04961	2.2
147.62766	0.2
149.13127	0.4
152.14308	0.4
153.01848	0.5
155.06979	0.5
157.50061	0.2
159.02834	0.4
173.08073	0.6
182.15353	0.3
182.18976	0.7
187.06012	2.0
196.20631	0.2
199.09669	0.4
205.07056	0.4
206.15318	0.3
208.13141	0.3
210.14880	0.7
214.18016	2.0
226.18050	1.3
228.16034	0.6
231.04951	0.2
236.23651	0.4
252.15955	2.4
261.13348	1.0
264.26859	49.0
265.27280	0.4
270.16977	3.7
280.26495	0.3
282.27905	40.5
283.28192	0.3
288.18039	22.3
300.28958	34.8
324.29031	1.0
342.29959	2.5
368.24365	1.1
384.11728	0.9
385.11938	0.7
386.12009	1.1
386.25339	9.3
386.30273	0.5
432.22543	0.3
444.33191	0.4
450.23291	4.4
462.34323	0.8
486.34180	1.9
504.35303	26.7
505.35953	0.3
548.34381	100.0
549.34686	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
55.01863	0.7
55.05507	5.3
56.05033	0.7
56.72865	0.4
57.03439	2.2
57.46054	0.4
58.06590	1.9
61.02921	1.6
64.24935	0.4
67.05502	6.3
69.03432	9.4
69.07068	4.7
70.01232	0.4
70.05970	2.0
70.06592	10.1
71.04994	1.1
73.02902	1.7
74.06128	0.4
79.05497	1.8
81.03420	8.0
81.07057	6.1
81.19785	0.4
82.06570	1.1
83.08611	2.1
84.08157	1.0
85.02906	14.4
86.09734	0.5
87.00824	0.5
87.04469	0.7
93.07054	1.8
95.08610	6.8
96.08115	3.3
97.02889	6.8
97.08914	1.3
97.10168	0.9
98.09680	2.8
99.04445	2.7
101.02392	0.4
103.03922	2.1
107.08603	1.3
109.02877	8.1
109.10146	2.6
110.09678	1.6
114.09180	1.7
115.03996	0.5
121.10204	0.6
127.03916	9.5
135.11713	0.6
138.12782	0.8
145.04959	2.0
159.02908	0.5
187.06017	2.2
208.91670	0.5
253.10023	0.4
264.26862	43.9
282.27905	38.3
300.28964	28.0
324.29062	1.2
342.30017	3.5
366.51468	0.4
408.54926	0.4
444.33438	0.4
462.34543	1.2
486.34213	1.8
504.35309	26.8
548.34296	100.0
549.34528	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	547.145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	0.5
55.01873	4.0
57.03425	3.1
61.02921	2.8
65.03912	1.1
68.99759	1.3
69.03396	1.8
69.13467	0.4
69.92673	2.6
70.06549	1.0
72.08109	0.7
73.02870	1.0
73.56229	0.5
81.03394	1.5
84.24275	0.5
85.02898	5.8
86.09667	1.3
88.80875	0.5
91.05455	2.2
93.03365	1.9
95.04922	1.0
97.02889	2.2
103.03901	1.0
103.05416	0.6
105.03358	0.5
105.07002	0.5
107.04937	3.1
107.08588	0.5
109.02876	2.4
111.04407	1.3
119.04937	10.4
121.02863	49.0
121.06461	0.8
127.03773	0.5
131.04900	1.4
135.04398	1.5
137.05891	0.5
139.03828	0.6
143.04913	0.7
145.02798	4.1
147.04372	1.3
149.02283	0.7
149.05963	0.8
151.03845	0.9
159.04366	2.1
161.05977	1.0
163.03871	2.3
165.01799	0.7
171.04361	1.0
173.02380	0.5
173.05919	0.9
175.03867	2.0
177.01811	1.4
177.05412	1.0
179.03426	2.4
183.04340	0.4
185.05951	1.1
187.03893	2.7
189.01834	4.3
189.05428	2.0
190.02548	0.8
191.03352	3.2
193.04785	1.0
194.02078	0.8
195.02893	10.0
197.04364	1.0
197.05988	1.1
199.03844	1.7
201.01854	1.4
201.05519	2.6
203.03384	18.9
204.04199	1.1
205.04945	3.7
205.89067	0.5
207.02888	8.4
209.04381	1.2
211.03867	1.3
211.07397	0.7
213.05479	2.2
215.03358	6.5
217.01443	0.7
217.04967	7.6
219.02921	2.8
219.06470	1.3
221.04433	9.1
225.03584	0.9
225.05450	1.6
227.03406	2.5
228.04117	0.5
229.04892	4.7
231.02846	2.9
231.06374	0.9
233.04482	7.2
235.05981	1.3
237.05664	0.5
239.03465	1.0
239.07256	0.6
241.04918	3.4
243.02907	3.7
243.06464	2.0
245.04422	2.7
247.05949	0.6
249.03842	0.8
251.07034	1.6
253.04892	1.7
255.02734	3.1
255.06598	1.0
257.04489	2.9
259.05939	0.9
261.03787	2.2
265.05066	0.5
265.08478	0.7
267.02975	0.8
267.06506	2.4
268.07278	3.8
269.04480	2.3
269.07336	0.5
271.06015	1.7
273.03879	2.7
276.07913	0.8
277.08426	0.9
277.90222	0.5
279.06528	6.5
280.07263	1.8
281.04684	1.0
281.08115	2.7
282.05121	0.8
283.05969	8.2
284.06787	1.5
285.03998	2.2
287.05750	0.9
289.08649	0.8
291.06494	1.2
292.07266	2.0
293.04773	0.8
293.08023	6.0
294.05215	6.4
294.08502	0.9
295.06003	92.1
296.06744	6.2
297.04117	1.1
297.07507	6.9
303.06598	0.8
304.07306	1.2
305.08060	3.9
306.08878	1.7
307.05991	51.2
307.09201	2.1
308.06763	21.4
308.10306	1.1
309.04028	1.4
309.07526	20.2
311.05676	0.6
313.06894	2.8
317.08072	5.9
318.08826	1.3
319.06036	4.1
319.09586	1.4
320.06805	7.7
321.07550	62.4
322.04822	1.0
322.08319	14.6
323.05490	2.6
323.09122	8.6
325.07037	64.7
329.08191	2.8
331.05899	1.6
331.09467	1.1
332.06754	1.1
333.07532	28.8
334.08383	4.0
335.05405	3.3
335.09076	23.3
336.06281	4.4
336.09854	1.1
337.07040	29.7
337.10413	1.1
339.04883	1.4
339.08658	3.3
342.08899	0.7
343.09589	1.6
345.07565	8.5
345.11493	0.6
346.08398	3.3
347.05560	0.9
347.09149	14.7
348.05978	1.2
349.07037	70.4
349.10333	3.6
350.07861	2.4
351.08609	33.9
353.06470	0.6
353.10571	0.7
355.08484	0.9
357.07632	2.4
358.08301	0.7
359.09088	4.5
360.06244	1.1
361.07019	33.6
361.10571	2.3
362.07675	1.6
363.08591	18.9
365.06351	0.9
365.10254	7.5
367.08090	8.3
371.09052	1.6
373.06921	11.9
373.10751	1.2
374.07913	2.3
375.04868	1.0
375.08646	18.1
377.06363	1.8
377.10211	5.0
379.08102	100.0
380.08395	1.5
380.57446	0.6
381.09677	1.8
383.09085	0.9
385.06909	3.7
386.07590	0.8
387.08627	10.8
388.08969	0.5
389.06314	1.3
389.10437	5.9
391.08069	35.2
393.09863	2.6
395.07452	0.8
397.09171	47.8
399.08701	3.1
401.10266	5.0
403.08102	25.4
405.09698	11.2
407.07349	1.1
409.09155	43.8
411.08603	0.6
415.10242	16.4
417.09671	4.3
419.11511	5.0
421.09125	15.3
421.14737	0.8
423.10574	1.0
426.54453	0.5
427.10300	47.0
428.10379	0.6
429.09683	3.5
433.09186	27.1
435.10825	0.6
437.12543	1.0
439.10281	12.2
445.09171	13.3
447.10800	1.8
451.10211	40.7
457.11261	33.4
463.10239	8.6
465.11871	1.4
469.11292	49.0
475.10254	14.1
481.11276	50.2
493.11273	28.6
493.18594	1.1
499.12332	41.9
511.12366	64.4
512.12695	0.6
529.13385	58.9
541.60162	0.5
547.14453	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	546.3277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45044	0.5
53.03929	1.4
55.01868	1.3
55.05512	5.0
56.05028	0.6
57.03425	2.2
57.07079	1.1
59.05000	1.1
61.02926	1.6
63.87411	0.5
67.05502	4.6
67.20776	0.5
68.05013	0.5
69.03425	10.5
69.07063	5.8
69.65150	2.5
69.65585	1.2
70.06589	6.7
71.01322	0.6
71.04986	1.9
72.08172	1.0
73.02916	2.7
79.05499	3.3
80.05033	0.5
81.03416	8.3
81.05805	0.7
81.07051	4.3
82.06598	2.5
83.08646	1.0
84.08139	1.2
85.02905	15.5
85.06553	0.5
86.06054	0.8
86.09719	1.8
89.06039	0.9
91.03957	0.4
91.05473	2.1
93.07032	4.2
94.06556	4.4
95.04980	1.1
95.07373	0.7
95.08617	3.9
96.08120	5.7
97.02891	6.8
97.06554	1.3
97.10178	0.6
98.09707	0.7
99.04460	3.0
103.03947	2.1
105.07040	1.8
107.08598	1.9
108.08123	4.0
109.02888	7.2
109.08895	1.6
109.10152	1.7
110.09677	2.8
119.08585	1.4
120.08085	2.5
121.10158	1.9
122.09669	5.1
123.11713	0.5
127.03912	10.2
127.09944	2.0
128.10863	0.4
131.08498	0.5
133.10165	1.1
135.11636	0.6
136.11227	1.5
137.05981	0.7
139.03839	0.6
140.10689	4.7
142.08681	0.6
145.04959	1.6
147.11725	0.8
150.12787	1.4
151.34607	0.5
153.01836	13.8
154.02156	4.6
166.08604	0.6
169.81915	0.4
187.06018	2.3
187.07545	1.7
188.07870	0.6
189.05420	0.7
190.05756	0.5
205.06937	0.6
212.16380	0.8
222.22096	1.2
230.17482	0.6
234.22147	0.5
260.23819	1.4
262.25290	26.0
263.25723	0.6
280.26346	62.4
282.05295	1.4
283.05725	1.8
286.16452	0.7
295.05887	1.1
297.03943	0.6
298.27405	47.2
311.05463	5.8
312.05829	10.4
339.08670	2.9
340.09006	5.2
340.28500	5.0
383.11218	18.3
384.11581	60.5
385.11816	3.4
391.07874	0.9
460.32874	1.4
484.32315	0.8
502.33737	34.5
511.12546	1.1
528.19562	1.0
546.32745	100.0
547.33356	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	546.3275
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22991	1.9
53.03937	4.6
55.01874	16.0
55.05507	33.5
57.03183	2.6
57.03437	32.2
57.07068	2.8
64.56456	2.2
65.03917	3.9
67.05177	3.0
67.05504	48.7
69.03417	9.2
69.07076	17.7
71.04976	5.4
71.31602	5.0
73.02895	6.5
79.05063	3.0
79.05490	46.0
81.03415	86.3
81.07056	47.2
82.04193	6.2
83.04983	30.2
83.08162	2.2
83.08620	35.1
85.02903	23.5
85.06523	6.0
91.05478	52.5
93.07037	35.9
95.04370	2.8
95.04968	46.4
95.08604	19.9
97.02884	7.1
97.06538	10.1
97.10143	15.9
98.07311	6.3
99.04410	2.6
99.08097	3.3
105.07021	30.1
107.04960	15.1
107.08598	17.7
109.06505	9.0
109.10157	12.1
111.04420	6.9
111.08074	13.9
113.06027	4.2
115.05418	3.1
116.04684	14.8
117.05448	2.1
117.06986	5.8
119.08567	29.9
121.06498	3.8
121.10131	13.3
123.08076	12.9
125.09628	17.1
127.11168	2.3
129.05482	41.0
129.06953	13.1
131.08574	21.4
133.06482	2.5
133.10133	19.7
135.08020	4.2
135.11673	5.6
137.09647	3.0
142.07777	4.9
143.06995	8.2
145.10109	5.7
147.08028	3.9
147.11676	24.6
148.27347	2.2
149.09605	12.0
157.08603	15.6
157.10112	20.8
163.11159	8.4
165.12735	4.8
171.06418	2.2
171.10185	4.2
173.11752	3.6
175.11189	22.0
189.11256	12.1
191.10672	2.3
193.12238	64.4
199.09579	2.6
199.13298	10.5
200.14093	3.8
209.11748	7.5
210.12566	2.6
211.13295	100.0
227.12749	16.4
229.14310	3.3
255.16068	2.3
267.15903	29.1
283.15442	7.5
285.16946	77.1
301.16434	87.5
405.29871	5.6
409.26236	3.1
439.26807	3.4
459.27515	3.0
477.28577	4.0
493.28055	12.9
494.28516	4.8
511.29034	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	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.2
55.01861	4.3
55.05515	20.6
57.03440	6.8
57.07064	1.6
58.37758	0.9
60.90662	1.0
65.03940	2.5
67.05509	42.7
68.05834	0.9
69.03432	3.1
69.07067	8.6
70.89475	2.9
71.04990	2.2
79.05058	1.7
79.05498	26.7
81.03419	18.5
81.07062	39.6
83.04989	3.4
83.08624	14.4
85.02929	0.9
85.06529	1.6
87.11847	0.9
91.05488	24.2
93.07053	27.8
93.46521	0.9
95.04971	14.7
95.08612	26.4
97.06535	2.6
97.10180	13.1
98.75262	0.9
105.04551	1.0
105.07037	21.2
107.04967	3.9
107.08602	19.0
109.06535	2.9
109.10165	17.8
111.08100	4.0
117.07022	8.0
119.08585	16.6
121.06532	4.6
121.10144	11.2
123.08083	4.2
123.11711	6.3
125.09643	9.8
128.48460	0.9
129.07007	8.3
131.08580	15.4
133.06497	2.1
133.10144	12.8
135.08078	4.4
135.11688	8.3
137.09628	2.5
137.13251	1.5
141.07042	1.7
142.07816	1.9
142.53899	0.9
143.08546	4.7
145.06549	1.1
145.10141	11.6
147.08096	2.3
147.11713	9.0
149.09612	3.5
149.13295	3.7
153.09120	1.7
155.08600	3.1
157.10143	6.3
159.08109	1.7
159.11708	9.0
161.09644	1.7
161.13274	6.4
163.11200	2.7
163.14790	2.0
165.12813	1.3
167.08533	1.5
169.10133	3.2
171.11678	4.7
173.09674	1.6
173.11838	1.8
173.13208	5.8
175.11243	3.5
175.14885	2.9
183.11671	2.2
185.13249	5.0
187.11284	1.4
187.13266	1.3
187.14847	3.2
189.11224	7.5
193.12244	8.0
195.11810	1.8
197.13283	1.6
199.14850	2.4
201.16376	2.3
211.14963	1.0
225.16458	1.1
227.12761	10.3
233.15407	2.3
233.19048	1.1
235.16943	1.1
243.20709	1.1
247.16927	2.3
249.14885	2.2
261.18402	1.0
261.19553	1.2
261.22192	10.0
265.18088	1.1
267.15945	18.4
279.23520	1.2
285.22238	3.3
287.20099	2.0
295.46014	0.9
299.23718	2.0
301.22089	2.0
301.25238	12.1
303.23297	2.2
317.24866	2.3
318.08395	1.0
327.23291	1.1
333.24161	1.5
335.25854	13.1
403.24908	2.0
421.26050	3.4
425.34244	1.6
435.27444	2.2
435.32678	4.4
453.33624	10.5
463.30811	1.1
471.34760	8.3
527.37323	50.1
528.37671	2.5
545.38391	100.0
546.38580	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	545.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01864	3.0
55.05513	17.1
55.62214	0.9
57.03433	4.9
57.07068	1.9
65.03915	2.4
67.05503	42.9
68.05832	1.4
69.03413	1.7
69.07067	11.3
69.37517	2.2
69.37922	7.4
71.04987	2.8
71.08624	2.6
79.05492	28.6
79.85942	1.0
80.05800	1.6
81.03415	14.1
81.06577	2.0
81.07053	40.3
82.07356	1.0
83.04984	3.9
83.08614	12.3
85.02905	2.6
91.05479	22.1
92.05815	1.0
93.07043	33.7
94.07365	2.4
95.04968	12.9
95.08607	29.3
96.08931	2.2
97.02888	1.6
97.06519	4.6
97.10160	9.9
99.08092	3.2
105.04563	1.2
105.07029	19.7
105.07681	1.7
106.07394	1.2
107.04961	4.6
107.08596	22.0
108.08940	1.3
109.06496	3.5
109.10135	10.7
111.04457	0.9
111.08089	3.4
113.05920	0.9
117.07025	7.4
119.08583	17.2
121.06529	3.7
121.10148	14.5
123.08055	3.5
123.11687	4.8
125.09615	6.0
127.07445	0.9
127.85197	1.0
128.06213	1.3
129.06999	4.5
131.08585	13.3
133.06494	1.2
133.10130	10.3
135.08064	3.2
135.11690	11.5
136.12019	2.6
137.09654	1.9
141.06946	1.2
143.08543	4.6
145.06526	1.2
145.10115	11.1
146.10416	1.2
147.08124	1.9
147.11702	6.5
149.09645	2.7
149.13254	7.4
151.11209	2.6
151.67833	0.9
155.08578	1.6
157.10095	5.2
159.08046	1.5
159.11694	8.0
161.09659	1.1
161.13295	3.3
163.11176	8.8
163.14854	2.2
164.11603	2.4
164.51714	1.1
169.10127	3.0
171.11722	3.2
173.09708	1.4
173.13281	3.6
175.11200	1.7
175.14874	2.5
177.12685	1.1
179.14290	10.1
181.12325	2.3
183.11691	1.3
185.13284	2.7
187.14780	2.3
189.11186	4.7
193.12204	7.8
197.13266	1.2
199.14833	2.6
211.13312	4.6
211.15036	1.6
222.86649	1.0
225.16286	1.0
227.12755	14.9
228.13107	5.1
229.13406	2.0
233.15302	2.0
243.21051	1.8
261.22162	3.2
267.15961	8.6
269.17300	0.9
277.21643	6.4
285.22180	1.1
287.20129	1.4
301.25241	7.3
303.23291	1.6
315.23233	1.3
317.24768	1.3
335.25824	8.4
340.72186	1.0
357.54166	0.8
383.11334	1.7
407.32913	1.1
417.31613	1.0
421.25800	1.3
435.27274	1.3
435.32706	3.8
453.33484	6.0
471.34628	5.1
509.36133	1.6
524.88782	1.1
527.37299	31.6
545.38251	100.0
546.39081	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	545.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.8
55.01867	4.7
55.05517	23.4
57.03442	8.8
57.07074	3.1
64.86809	0.9
65.03942	1.8
66.48602	1.0
67.05509	55.9
69.03420	3.7
69.07076	13.4
70.08246	2.4
70.08662	3.5
71.04990	3.5
79.05496	34.7
81.03419	26.2
81.03856	2.1
81.06574	2.6
81.07059	50.4
83.04986	5.5
83.08630	18.4
85.02905	1.2
85.06541	1.9
91.05484	30.3
93.07052	35.9
95.04973	21.8
95.08614	35.2
97.06531	3.7
97.10175	17.8
105.07034	26.0
107.04970	7.4
107.08607	26.6
109.06521	6.0
109.10168	20.8
111.08081	4.1
115.05523	1.4
117.07005	13.0
119.08585	24.0
121.06516	6.9
121.10126	15.3
123.08103	3.9
123.11715	6.8
125.09630	15.8
128.06198	1.6
129.07004	9.8
131.08574	21.1
133.06499	3.0
133.10143	17.7
135.08067	5.1
135.11691	10.0
137.09612	4.7
137.13272	1.4
141.06979	1.4
142.07858	1.4
143.08582	8.1
145.06490	2.0
145.10132	15.0
147.08052	3.9
147.11700	12.6
149.09624	3.3
149.13264	7.6
151.11284	1.4
153.09126	1.6
155.08612	2.7
157.10135	9.0
159.11719	10.8
161.09702	2.3
161.13268	4.8
163.11191	3.2
163.14874	3.4
169.10170	3.7
171.10361	1.3
171.11607	5.8
173.09441	1.6
173.13316	8.3
175.11212	4.2
175.14827	3.9
177.12688	1.5
179.14305	1.3
181.10201	1.4
183.11749	2.9
185.13242	3.2
187.11214	1.7
187.14809	6.2
189.11241	8.4
189.12735	2.2
189.16402	1.5
193.12222	8.7
195.11699	2.7
197.13293	2.5
199.14841	3.2
201.16475	1.5
203.14308	1.9
203.17850	1.2
209.13185	1.4
211.13354	4.2
219.17496	1.8
227.12756	10.2
233.15392	2.3
243.15912	1.5
243.21252	2.5
247.17017	1.5
249.14970	1.9
261.22192	11.8
267.15906	20.0
275.19980	1.5
283.24060	1.4
285.22202	3.1
301.25201	15.5
317.24927	2.1
329.21106	1.7
335.25919	18.2
347.22626	1.3
359.25931	2.6
360.21741	1.1
410.57077	1.2
417.26364	1.5
421.25778	3.8
425.34244	1.4
435.27460	2.5
435.32742	4.5
453.33594	10.9
454.34018	1.4
459.77737	1.3
471.34866	8.8
509.36276	3.8
527.37347	53.9
527.45447	2.7
528.37744	2.9
545.38391	100.0
546.38763	5.7
557.39478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13845	1.2
53.03938	4.5
55.01865	1.7
55.05257	1.9
55.05511	20.8
57.03437	7.9
57.07073	1.9
65.03933	3.0
67.05507	54.5
69.03411	1.9
69.07071	15.7
71.04994	4.2
71.08638	1.8
79.05494	46.1
81.02970	2.3
81.03419	26.2
81.07059	49.5
83.04993	10.5
83.08616	14.8
85.02920	11.1
85.06536	3.7
91.05483	42.6
93.07044	45.1
95.04983	16.1
95.08610	32.8
97.06507	2.8
97.10166	7.1
98.59674	1.2
99.08113	2.6
104.19503	1.3
105.07033	30.6
107.04966	5.8
107.08588	22.5
109.06514	2.8
109.10153	15.9
111.08082	5.6
116.06229	1.4
117.07039	10.6
119.08576	23.8
121.06487	2.2
121.09286	2.6
121.10144	26.0
123.08128	1.6
123.11706	4.7
125.09624	4.1
128.06230	2.4
129.07004	8.8
131.08569	19.8
133.06564	2.3
133.10124	21.4
135.08031	2.2
135.11711	9.7
137.09636	2.1
137.52385	1.3
142.07813	2.9
143.08585	2.7
145.10129	15.0
147.08005	1.8
147.11696	15.2
149.09624	4.5
149.13269	5.7
151.11281	1.4
155.08525	2.8
157.10133	12.1
159.11713	5.7
161.13248	4.5
163.11142	3.4
163.14854	1.7
165.12738	2.3
169.10158	1.4
171.11743	4.1
173.13326	4.1
175.11234	7.4
175.14789	2.0
177.12730	1.8
183.11736	1.8
185.13257	2.8
187.14854	2.3
193.12245	22.9
196.85628	1.5
197.13338	1.6
211.13283	25.7
213.16443	1.4
227.12804	4.9
243.21049	1.9
261.22177	6.8
267.15942	15.3
301.25275	2.7
335.25833	11.3
353.96454	1.4
435.32782	4.2
453.33759	5.0
471.34854	4.1
509.36090	1.8
527.37384	36.9
528.37256	2.1
545.38361	100.0
546.38867	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	545.3837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.8
55.01871	2.9
55.05265	2.0
55.05512	26.3
57.03439	8.7
57.07051	2.1
57.85070	1.2
59.49829	1.1
63.98003	1.2
65.03931	2.4
67.05505	59.6
69.03415	3.4
69.06723	1.4
69.07067	15.5
69.93687	3.9
69.94117	3.4
71.04986	4.0
79.05493	32.2
81.03419	24.5
81.07058	49.7
83.04967	5.3
83.08620	16.1
85.06545	2.7
91.05471	25.2
93.07046	31.0
95.04967	18.4
95.08606	32.7
97.06524	4.3
97.10175	17.1
97.30772	1.2
99.08104	1.5
105.07030	24.4
107.04961	6.0
107.08598	23.7
109.06514	5.5
109.10147	20.5
111.08101	5.6
115.05493	2.3
117.07019	10.3
119.08575	22.5
121.06506	7.0
121.10149	17.0
123.08047	3.1
123.10890	1.3
123.11685	6.1
125.09627	14.9
128.06229	1.9
129.06998	7.4
131.08559	21.8
133.06464	2.4
133.10124	18.4
135.08066	4.2
135.11723	8.9
136.50551	1.2
137.09615	3.5
137.13272	1.7
139.11168	1.5
141.06987	1.7
143.08534	6.2
145.06473	2.4
145.10121	13.6
147.08031	3.6
147.11693	10.7
149.09636	3.7
149.13283	6.3
155.08597	3.6
157.10138	9.8
159.11739	11.5
161.09718	2.3
161.13292	4.1
163.11188	3.3
163.14803	2.6
169.10150	3.7
171.11682	6.8
173.09677	1.5
173.13269	7.7
175.11221	3.8
175.14891	4.6
177.12752	1.2
177.16507	1.2
181.10204	1.9
183.11707	2.9
185.13235	3.6
187.13321	1.5
187.14845	4.3
189.09605	1.3
189.11205	7.4
193.12239	8.2
195.11639	1.4
197.13321	2.0
199.14891	4.1
201.16373	1.6
211.13261	1.7
213.16455	2.1
223.83075	1.3
225.16341	1.3
227.12761	12.6
233.15428	1.8
241.19724	1.7
243.21126	3.4
259.20700	1.3
261.19556	2.0
261.22101	11.4
267.15933	17.1
279.23276	1.5
283.24084	1.4
285.22144	2.3
287.20071	1.6
301.21838	2.5
301.25146	14.8
303.23260	1.7
317.24820	4.0
329.24661	1.3
335.25812	18.2
357.28091	1.4
359.25684	2.8
396.28696	1.3
403.24814	2.5
417.26550	2.1
421.25879	4.9
435.27502	2.6
435.32697	5.3
453.33624	10.0
471.34570	10.1
472.35095	1.3
509.36792	1.9
527.37341	58.6
545.38354	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	545.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01864	2.0
55.05517	21.2
57.03428	6.6
59.05026	1.5
65.03939	2.6
67.05506	51.0
69.03410	2.5
69.07076	18.1
70.80632	4.5
71.04991	3.5
71.08635	2.3
79.05498	38.1
81.03416	18.4
81.06588	2.6
81.07061	49.1
82.07361	2.3
83.04993	6.0
83.08620	15.4
85.02912	5.8
85.06541	2.5
91.05484	33.1
91.06014	2.7
93.07050	40.7
94.07421	1.9
95.04991	12.7
95.08607	26.0
97.06548	6.9
97.10180	7.3
99.08083	2.0
105.07035	24.8
107.04951	3.0
107.08597	22.1
109.06541	4.4
109.10172	17.1
111.04487	1.9
111.08086	4.3
117.07046	11.6
119.08576	23.4
121.06510	2.8
121.10146	19.3
123.08073	2.0
123.11717	4.6
123.33353	1.6
125.09678	4.7
128.06227	2.2
129.06958	9.5
131.08568	18.0
133.06514	3.2
133.10136	15.4
135.11703	12.8
143.08577	7.2
145.10120	9.8
147.08070	1.7
147.11684	15.3
149.09592	3.6
149.13304	4.7
151.11226	2.6
152.77284	2.0
154.07729	1.8
155.08568	3.9
157.10158	8.2
159.11702	10.5
161.13301	7.1
163.11220	5.0
163.40289	1.6
165.12814	3.4
169.10146	3.6
171.11713	6.1
173.11923	1.8
173.13336	5.6
175.11215	4.6
175.14890	2.7
179.14395	2.7
183.11761	2.7
185.13298	3.9
187.14799	4.1
193.12259	12.9
195.11740	1.9
197.13393	2.9
201.16446	1.8
211.13274	15.1
213.16478	1.9
227.12752	4.6
261.22180	4.5
267.15955	7.0
269.17749	1.6
275.19907	2.1
277.21579	2.9
285.22076	2.5
301.25366	3.5
335.25876	6.3
372.19000	1.6
383.11288	2.9
417.31708	2.9
435.32516	4.7
453.33472	8.1
471.34424	5.6
509.35989	3.8
527.29169	2.1
527.37311	40.2
545.38318	100.0
546.38177	2.8
562.91125	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	545.3298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98103	0.2
55.05462	0.7
56.96516	0.4
57.03395	0.3
57.07042	0.2
61.02887	0.6
67.05498	1.2
68.36494	0.2
69.03392	0.5
69.07001	0.7
69.43064	0.8
69.43490	1.4
70.06542	0.4
71.04941	0.3
72.26621	0.2
78.31097	0.3
79.05428	0.9
81.03356	0.3
81.07042	1.7
83.04922	0.7
85.02837	0.8
85.06490	0.3
86.09642	0.4
87.89848	0.3
91.05405	0.8
93.07051	1.2
94.56641	0.2
95.04902	0.8
95.08601	1.2
97.02860	0.5
97.06474	0.7
98.21514	0.4
99.04391	0.3
105.06944	0.9
107.08525	0.8
109.06483	0.3
109.10063	0.9
117.06951	0.3
119.08517	0.8
120.08037	0.3
121.10080	0.7
123.07979	0.6
123.11680	0.2
125.09641	0.3
129.06926	0.3
131.08487	0.7
133.10046	0.8
134.81802	0.3
135.07962	0.4
135.11626	0.6
139.03862	0.3
143.08534	0.3
145.10051	0.6
147.11589	0.4
149.09583	0.5
151.07391	0.4
153.01822	15.3
153.05399	0.3
154.02032	0.3
154.49829	0.2
157.10091	0.4
159.07993	0.5
159.11662	0.6
161.05878	0.3
171.02791	0.2
171.11540	0.3
173.13109	0.3
175.11099	0.3
187.07538	3.6
189.05432	1.3
189.11177	0.3
197.13193	0.3
208.87599	0.2
235.88940	0.3
243.40239	0.3
255.06567	0.3
257.04456	3.8
258.05133	0.9
261.12738	0.3
265.04941	0.5
271.05954	0.3
273.18469	0.5
282.05261	3.0
283.05933	1.1
285.03922	0.7
286.04700	1.9
287.05435	1.7
291.19461	0.6
293.08234	0.4
297.03864	0.7
297.16287	0.3
299.05365	0.8
310.04715	0.9
311.05481	18.2
312.05911	1.1
313.07098	0.5
323.05484	0.3
325.07031	0.4
339.08661	9.1
340.08878	0.8
355.11899	0.6
365.23303	0.3
367.01978	0.3
383.11227	94.8
384.11594	7.4
527.31750	0.3
528.19769	0.4
545.32977	100.0
546.33295	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	545.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08207	0.2
53.03911	0.3
55.05453	2.0
64.23363	0.2
67.05483	0.3
68.99742	0.5
69.07006	0.5
70.85659	0.7
72.87119	0.2
81.07000	0.6
83.04921	0.5
85.02837	0.6
91.05413	0.5
93.06982	0.6
95.04893	0.5
95.08530	0.4
97.02830	0.7
97.06463	0.5
105.06964	0.5
105.88070	0.3
107.08505	0.5
109.10116	0.4
111.00820	0.2
115.05443	0.3
119.08514	0.3
121.10069	0.3
123.04395	0.4
125.09623	0.3
128.06186	0.3
131.08530	0.3
133.10068	0.3
139.03883	1.8
143.08459	0.9
145.10077	0.4
147.04340	0.7
147.11652	0.3
151.07414	0.3
153.01828	15.1
155.08478	0.5
161.02258	0.3
161.05852	0.6
165.06917	0.3
167.07034	0.6
171.08014	0.4
183.07971	0.4
187.07556	0.3
189.09128	0.4
201.05391	0.2
201.09016	0.3
203.03447	0.5
211.07356	0.4
213.09041	0.6
217.08687	0.3
229.04948	0.3
237.05446	0.9
243.06444	0.2
253.04901	1.0
255.06442	0.3
257.04456	3.0
258.05252	3.1
265.04971	2.5
267.06555	0.3
269.04303	0.4
271.05942	0.5
279.06619	0.2
281.04440	2.6
282.05212	1.0
283.06104	0.3
285.03745	0.4
286.04721	7.9
287.05518	1.8
293.04398	0.8
295.05966	2.0
295.76584	0.3
297.03922	2.7
298.04706	0.5
299.05612	2.2
300.06265	0.4
309.04111	1.5
310.04721	1.2
311.05496	15.5
312.06006	0.2
313.03445	1.8
323.05518	6.7
324.06363	0.3
325.07028	0.4
326.04196	0.4
327.04974	2.6
332.06973	0.3
339.08636	1.4
347.09091	0.3
353.10266	0.7
355.11752	4.7
365.10260	1.5
383.11243	100.0
384.11560	1.2
425.12225	0.3
441.09961	0.3
515.31921	0.5
544.31689	1.4
545.16260	2.3
545.32977	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	545.1659
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01822	0.3
55.05479	0.4
57.03420	0.4
60.63313	0.2
67.01827	0.2
67.05463	0.5
69.03399	0.6
69.56712	0.8
69.57139	1.6
70.06546	0.3
72.08115	0.4
78.70051	0.2
79.05437	0.3
80.18523	0.3
81.07040	0.6
83.04950	0.3
84.08141	0.3
85.02869	0.9
86.09681	0.6
93.07027	0.5
95.08603	0.4
97.02838	0.7
97.06497	0.4
98.21571	0.4
105.76173	0.3
107.34592	0.2
109.10147	0.3
118.06692	0.3
119.08597	0.3
121.10084	0.3
127.03849	0.4
131.08519	0.3
133.10126	0.3
137.09653	0.3
139.03864	0.6
141.06924	0.3
145.10158	0.4
153.01834	18.6
157.10060	0.4
179.10727	0.3
182.15218	0.2
187.07542	4.2
189.05443	1.2
201.09032	0.5
215.07013	0.3
243.06517	0.3
253.05008	0.4
255.06491	0.8
262.50198	0.3
265.05023	0.6
282.05255	3.4
283.05945	1.4
287.05487	1.1
297.03983	1.1
298.04694	1.0
299.05441	0.7
310.04675	4.8
311.05508	33.0
313.06906	0.4
321.07367	0.4
323.05490	1.3
323.09091	0.5
324.06271	0.7
325.07166	0.4
326.07828	0.5
337.07245	0.6
339.08640	48.8
340.09155	0.4
365.26886	0.3
383.11261	100.0
384.11545	1.0
501.13431	0.3
544.31866	0.6
545.16095	2.2
545.25568	0.4
545.33118	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	545.1656
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.4
55.05494	0.6
57.03422	0.2
62.09616	0.2
67.04854	0.1
67.05506	1.0
69.03426	0.4
69.07048	0.6
69.46413	0.4
69.46841	1.4
70.06588	0.2
71.04987	0.2
74.19980	0.2
74.97632	0.2
79.05491	1.3
81.03399	0.4
81.07060	2.2
83.04977	0.4
83.08607	0.6
85.02880	0.5
85.06532	0.3
91.05495	0.9
91.05956	0.2
92.12107	0.2
93.07038	1.0
95.04982	0.8
95.08588	0.8
97.02887	0.2
97.06525	1.2
97.10152	0.2
105.07046	1.0
107.04921	0.4
107.08591	0.8
109.06502	0.9
109.10148	0.6
110.45551	0.2
111.04440	0.3
111.08095	0.2
116.10748	0.3
117.06986	0.5
119.08591	0.9
121.06451	0.3
121.10116	0.7
123.08068	0.4
125.09600	0.2
129.05446	0.2
129.07011	0.4
131.08563	0.5
133.10114	0.3
135.04396	0.2
135.11708	0.3
140.82172	0.2
143.08507	0.2
145.10129	1.1
147.08061	0.4
147.11652	0.3
149.09618	0.4
153.01851	1.4
157.10135	0.4
159.08054	0.2
159.11681	0.3
163.03912	0.2
163.11165	0.3
163.84499	0.2
173.13235	0.2
183.07779	0.2
185.13321	0.3
193.12111	0.2
203.03401	0.5
214.17973	0.6
215.18364	0.3
227.12834	0.2
228.09038	0.2
229.04953	1.0
237.24550	0.2
242.05783	0.4
243.96191	0.2
257.04465	17.0
258.05249	12.1
259.05936	0.4
269.04419	0.3
271.05984	0.5
273.18497	0.6
285.04022	0.3
286.04730	32.9
287.05508	17.7
291.19574	1.3
297.04019	0.6
313.07101	0.4
316.03958	0.2
355.11691	0.5
365.23297	1.4
383.11258	100.0
384.11594	1.1
389.46356	0.2
461.14038	0.2
527.26355	0.3
544.30432	0.2
545.16681	2.0
545.28357	1.0
554.30029	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	543.3684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.0
55.01868	2.2
55.05511	14.4
57.03431	3.4
57.07066	1.9
65.03941	1.8
66.20628	0.8
67.05505	32.9
69.03429	2.8
69.07066	9.1
69.31476	5.2
69.31902	3.3
71.04993	2.2
71.08628	0.8
78.81840	0.9
79.05492	24.9
79.05963	1.2
81.03427	6.7
81.07057	26.4
83.04977	4.4
83.08618	9.6
85.02885	1.1
85.06562	1.8
89.52881	0.9
91.05483	21.1
93.07047	24.2
95.04971	7.1
95.08611	19.5
97.06518	2.7
97.10172	7.0
103.05520	1.0
105.04514	0.8
105.07037	19.7
107.04971	3.5
107.08595	16.9
109.06513	2.4
109.10151	9.4
111.08094	2.9
115.05428	1.5
116.60316	0.9
117.07011	10.4
119.08583	13.1
121.06522	1.8
121.10149	9.7
123.08082	2.8
123.11710	1.9
125.09649	6.2
128.06213	2.7
129.07010	5.1
130.07776	1.6
131.08583	13.8
133.10150	9.8
135.08073	2.5
135.11702	7.7
137.09615	1.1
141.07002	1.9
142.07803	1.3
143.08569	7.3
145.06496	2.3
145.10126	12.9
147.08087	2.4
147.11700	6.4
149.09653	1.2
149.13258	2.6
153.09132	1.0
153.12741	1.6
155.08589	3.4
157.10126	7.1
159.08049	2.1
159.11678	10.3
161.09631	1.5
161.13252	3.0
163.11154	5.2
167.08559	1.7
169.10176	3.6
171.08035	1.2
171.10315	1.2
171.11627	5.9
173.09669	2.8
173.11845	1.8
173.13185	5.1
175.11230	1.2
175.14865	1.0
179.08492	0.9
181.10159	2.6
181.12260	2.0
183.11681	5.0
185.13239	4.2
187.11218	1.7
187.14830	2.8
189.11259	3.6
189.12744	1.0
191.10654	1.2
193.10255	1.1
193.12283	2.7
195.11734	3.1
197.13309	3.6
199.11208	1.0
199.14859	2.5
209.11662	2.0
209.13400	1.5
211.14912	1.7
213.12872	0.9
213.16487	1.6
221.13283	1.2
223.14911	1.6
227.12749	10.3
227.14595	1.0
239.17793	1.4
241.15953	1.0
241.19658	1.0
243.21045	0.9
257.19043	1.3
259.20602	2.4
261.22189	1.6
263.17822	0.9
265.14185	1.0
267.15924	1.7
275.20117	3.3
277.21643	1.6
283.20697	2.1
297.22165	1.6
299.23657	6.2
301.21817	1.2
315.23138	1.0
325.21945	1.3
333.24374	1.3
339.23236	1.5
357.24292	1.8
415.29840	1.8
433.31131	6.4
451.32043	9.1
469.33069	6.5
487.33939	1.1
489.33774	1.0
507.34647	1.6
515.37360	1.1
525.28430	0.8
525.35767	22.6
543.36823	100.0
544.37091	3.0
557.22986	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	544.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79912	0.6
62.81701	0.5
63.31555	0.6
67.05489	1.9
69.07039	1.2
70.06582	2.0
71.59214	0.9
71.59592	0.6
72.08154	1.6
79.05480	0.6
81.03416	0.7
81.07053	0.9
83.04974	0.6
85.02905	1.2
86.09701	2.6
88.15072	0.5
91.05491	0.9
93.07050	1.1
94.06556	1.9
95.04987	1.4
95.08570	0.7
97.02888	0.6
106.94165	0.6
109.10172	0.7
111.12198	0.6
120.08119	0.8
122.06023	6.3
138.05522	5.0
139.06314	0.7
140.07054	9.2
144.04428	0.9
146.04956	1.0
146.06010	11.1
147.11691	0.6
148.07513	1.0
149.01434	0.6
150.12062	0.6
152.07062	6.3
156.10191	1.4
164.03452	0.8
166.04999	4.4
168.08075	0.8
172.03938	5.1
173.04694	0.9
174.05524	8.3
180.06563	0.8
190.04956	0.8
191.05733	1.1
198.07599	2.5
204.06575	7.5
204.08417	0.9
206.08125	9.8
209.10701	1.0
210.09074	0.8
211.08755	1.4
219.09349	1.1
222.09236	1.3
223.08603	2.7
224.09387	0.6
225.10345	1.3
236.03708	0.6
236.09467	0.8
237.10205	23.6
238.10936	1.9
239.08099	4.2
239.11836	2.0
241.09772	0.9
247.08714	1.4
248.09486	0.9
249.10199	1.7
250.08856	3.5
251.08134	6.3
252.08974	2.5
253.09712	4.1
254.10583	1.0
255.11319	2.7
264.08954	0.8
265.09714	32.7
266.07990	0.8
266.10498	2.7
267.07697	2.1
267.11301	8.4
269.09079	0.9
276.06287	0.6
277.09885	0.8
279.07626	3.0
280.08600	0.9
281.09241	4.4
281.12158	0.8
283.10742	2.0
283.15433	1.4
285.12415	0.8
293.09174	26.2
293.99680	0.6
294.09918	2.2
295.10751	8.7
299.10309	4.1
309.12350	0.9
310.04416	0.6
311.10245	31.6
312.11047	3.2
313.11819	6.4
315.13446	0.7
321.08725	11.6
325.11789	1.9
326.12656	0.9
327.13382	3.4
331.12967	1.8
339.09760	42.0
340.10541	1.0
341.11526	0.8
343.12891	1.0
345.14386	0.9
347.16125	1.3
353.11331	12.9
354.09180	1.3
357.10800	2.2
358.98352	1.0
369.39694	0.7
371.12372	100.0
372.12866	1.6
373.13922	1.1
385.13751	1.2
386.12454	1.9
452.17923	3.0
462.16611	2.5
468.21155	1.5
480.17661	45.8
494.19363	5.5
495.18753	0.6
512.20282	21.6
526.22156	1.3
527.20892	0.7
544.23932	1.3
544.31409	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	544.312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01873	21.7
55.05263	2.7
55.05515	31.6
57.03441	25.9
57.07068	2.9
58.29523	1.9
59.05002	2.9
65.83826	2.2
67.01729	1.9
67.05501	39.4
69.03419	4.5
69.07070	10.8
69.90204	13.6
71.01341	2.5
71.04987	5.9
73.02914	5.2
77.94376	2.4
79.05494	39.7
80.09161	1.9
81.03418	20.1
81.07057	34.1
82.04192	6.3
82.07359	2.3
83.01337	8.4
83.04987	21.6
83.08630	21.2
85.02914	6.8
85.06529	2.4
89.90921	2.0
91.05485	25.7
93.07043	39.5
95.04976	15.9
95.08607	19.1
97.02875	4.6
97.06526	7.8
97.10174	11.3
98.07302	5.0
98.21465	2.3
99.04495	2.4
99.08105	2.4
99.38805	2.0
105.07017	20.0
105.39950	2.2
107.04952	11.8
107.08604	21.4
109.06499	10.2
109.10160	10.2
111.04484	4.5
111.08064	5.0
111.98273	1.9
116.04722	11.0
117.06997	12.6
119.08562	16.1
120.08885	2.4
121.06532	6.7
121.10126	9.2
123.08093	11.7
125.05996	3.0
125.09650	13.3
129.05481	25.1
129.06984	6.5
131.08575	11.7
131.09515	1.8
133.10129	7.2
135.08017	3.1
135.11708	16.2
136.06189	3.9
137.09619	3.1
143.07056	6.6
143.08612	4.3
145.10149	20.4
147.08038	5.7
147.11731	5.5
151.80641	2.0
153.12773	2.6
155.08600	4.2
157.08607	13.7
157.10136	5.7
159.07982	2.7
159.11710	2.3
163.11182	26.1
171.10167	2.9
173.09718	3.3
181.12256	5.9
189.11255	7.0
191.10666	4.6
193.12311	4.6
199.13332	7.8
209.11702	13.0
210.12462	2.8
222.73483	2.2
227.12750	16.3
229.14304	3.4
255.15800	2.3
255.37531	2.0
267.15903	7.9
283.15390	100.0
284.16150	3.0
301.16446	89.8
383.11258	3.7
434.31345	4.0
437.25244	3.0
452.32471	5.6
475.26895	5.6
491.26328	2.4
492.27225	4.9
509.27411	61.4
526.35889	4.7
544.29071	3.7
544.37042	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3682
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
53.03943	1.4
55.01876	2.3
55.05510	15.7
57.03439	3.6
57.07076	1.0
59.04998	1.0
65.03943	0.9
67.05504	26.3
69.03432	2.0
69.07069	7.7
70.85927	1.1
71.04990	2.0
71.08613	0.5
76.38722	0.4
79.05491	17.4
81.02961	0.8
81.03410	6.5
81.07055	21.1
83.04971	2.9
83.08620	8.4
85.02911	0.8
85.06548	1.6
91.05482	16.6
93.03356	0.6
93.07044	15.0
95.04973	7.6
95.08606	14.5
97.06541	2.7
97.10172	8.9
99.08075	0.8
99.24416	0.4
103.05485	0.6
105.04533	0.5
105.07027	14.7
107.04961	2.8
107.08598	10.5
109.06499	2.7
109.10152	9.4
111.08086	1.7
112.73125	0.4
115.05483	1.4
117.07011	11.0
119.08577	11.5
121.06476	2.5
121.10163	4.7
123.08070	1.5
123.11721	2.3
124.20980	0.4
125.09624	6.2
125.89256	0.4
128.06212	1.8
129.07004	8.0
130.07777	1.1
131.05019	0.8
131.08566	15.5
133.06512	1.4
133.10133	8.2
135.08095	2.7
135.11708	3.4
137.09618	1.0
141.07001	2.3
142.07732	2.2
142.58527	0.4
142.63902	0.4
143.08568	9.7
144.09331	1.1
145.06461	3.0
145.10130	11.2
147.08070	2.1
147.11694	4.2
149.09657	1.5
149.13266	1.5
151.11195	1.1
153.07002	0.7
153.09166	0.6
154.07780	0.8
155.08542	5.6
156.09395	0.8
157.06502	1.4
157.10121	9.0
157.11308	0.7
158.07349	0.6
159.08089	3.0
159.11693	8.0
161.09673	1.9
161.13284	2.8
163.11217	2.3
165.07033	0.7
165.12769	0.5
166.07771	0.5
167.08585	2.1
169.10112	7.2
169.11526	0.5
171.08069	2.1
171.11688	7.9
173.09648	1.7
173.11792	1.1
173.13286	5.3
175.11208	1.1
175.14789	1.0
177.12772	0.7
179.08589	0.8
180.09415	0.6
181.10144	4.2
181.11742	0.5
183.08096	0.6
183.11679	5.8
185.09674	2.1
185.13255	4.9
187.11185	2.0
187.13292	1.1
187.14732	2.4
189.09268	0.6
189.11241	2.1
189.12643	1.0
193.10225	0.9
193.12285	1.3
195.11658	3.1
197.09669	0.9
197.13231	3.6
199.11211	1.5
199.14833	2.9
201.12796	1.4
201.16440	0.7
205.10342	0.5
205.12234	0.5
207.11746	1.5
207.13588	0.5
209.13266	2.7
211.11362	0.8
211.13083	0.7
211.14838	1.7
213.12781	1.2
213.16504	0.8
215.14331	1.0
221.13297	1.2
223.14908	1.9
225.12852	0.5
225.16505	1.3
227.12651	2.3
229.14325	1.1
233.13309	0.8
233.15398	0.6
235.14842	0.8
237.16437	0.9
239.18130	0.9
241.16060	0.5
241.19684	0.6
247.16943	1.0
249.16443	0.7
257.19125	0.8
259.17181	0.7
259.20633	2.4
265.19519	1.0
267.15671	2.3
271.24405	0.5
275.20175	1.1
283.15030	0.5
283.20596	2.1
285.18686	0.8
285.22073	0.7
287.05280	0.8
291.21024	0.5
297.22141	2.0
299.20517	0.7
299.23691	4.3
301.21576	1.0
309.22113	0.6
313.21701	0.8
321.21991	0.5
323.23535	0.5
325.17319	0.5
325.21429	0.9
327.23291	0.8
333.24121	1.3
335.23724	0.6
339.23001	1.1
353.24829	1.0
355.26685	0.7
357.24237	1.0
358.67245	0.5
369.24521	0.6
371.25793	0.9
371.91119	0.5
395.33420	0.5
405.31561	0.8
415.30106	1.6
421.25986	1.2
423.32590	1.7
433.30981	6.1
435.27637	0.8
451.32025	10.6
469.33099	4.3
487.34323	0.7
499.34357	0.6
507.34515	1.7
515.37402	1.7
525.35760	20.0
543.36823	100.0
544.37219	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3683
Annotation	Methyl camaralate
Peak:m/z	Relative Intensity
50.07273	0.6
53.03945	1.5
55.01869	2.1
55.05511	13.1
56.74168	0.7
57.03429	3.0
57.07065	1.2
65.03909	1.3
67.05506	23.1
69.03435	2.1
69.07069	8.4
69.92618	4.0
71.04990	2.0
77.03914	0.8
78.95790	0.6
79.05492	17.9
81.03413	5.7
81.07058	18.8
83.04980	2.6
83.08623	7.8
85.02905	1.0
85.06531	1.5
91.05479	15.5
93.07047	15.2
95.04977	7.0
95.08604	10.7
97.06561	3.4
97.10175	6.1
99.08091	1.1
103.05500	0.8
105.07037	13.5
107.04960	1.9
107.08594	12.6
109.06530	2.7
109.10145	7.4
111.08090	2.1
115.05428	1.3
117.07020	8.8
119.08596	11.3
121.06506	2.4
121.10134	4.9
123.08092	2.2
123.11703	2.4
125.09634	6.6
128.06241	1.8
129.07013	7.5
131.08562	12.4
133.06549	1.5
133.10139	6.8
135.08073	2.4
135.11703	2.5
137.09618	1.1
141.07016	2.8
142.07802	1.5
143.08551	8.2
145.06537	1.7
145.10133	10.9
147.08078	1.7
147.11711	5.0
149.06035	0.8
149.09654	2.4
149.13290	1.8
151.11066	1.2
154.07790	1.0
155.08582	5.1
156.09334	1.0
157.10136	8.3
159.08095	2.8
159.11716	6.6
161.09663	1.9
161.13255	2.1
163.11206	1.3
167.08582	1.7
168.09381	0.9
169.10139	5.0
171.08171	0.9
171.11705	6.1
173.09616	1.5
173.13251	4.8
175.11172	1.2
175.14810	0.8
177.12878	0.9
179.08627	1.6
181.10167	3.7
183.08084	0.7
183.11687	3.6
185.09618	1.3
185.13333	4.7
187.11208	1.6
187.14853	3.2
189.11247	2.6
189.12772	1.2
193.12263	1.7
195.11789	2.5
197.13287	3.4
199.11195	1.0
199.14848	2.8
207.11713	1.2
209.13365	2.9
211.14886	1.6
213.12767	1.0
213.16443	1.9
215.14378	1.0
221.13202	1.1
223.14836	2.2
227.12834	2.1
229.14267	1.3
233.15372	1.0
235.14886	0.8
239.17900	0.9
241.16023	1.0
257.19159	1.1
259.20706	2.7
267.16034	2.0
275.20178	1.8
277.21719	0.8
283.20630	1.8
287.05652	0.9
297.22095	2.3
299.23688	5.8
301.21442	1.1
309.22321	1.0
315.23190	1.0
327.23019	0.8
333.24353	1.1
339.23187	1.1
342.10596	0.9
357.24576	0.7
371.25931	1.0
403.25003	1.3
405.31619	0.8
415.29935	1.8
421.25964	2.1
423.32385	1.2
433.31003	6.3
435.27362	1.0
451.32034	9.3
469.33246	4.3
487.34369	1.2
507.34583	2.6
515.37500	1.5
525.35822	22.4
539.38477	0.7
543.36884	100.0
544.37292	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	543.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90750	1.2
53.03938	2.0
55.01863	3.7
55.05511	18.7
57.03429	4.8
57.07072	1.6
67.05171	2.2
67.05509	28.2
69.03422	2.0
69.07077	7.5
70.15593	2.9
70.15984	3.2
71.04981	3.0
71.24613	1.2
79.05498	20.5
81.03434	6.2
81.07059	26.5
83.04981	3.8
83.08620	11.3
91.05480	19.3
93.07050	17.5
95.04949	7.5
95.08610	17.7
96.44675	1.3
97.06526	4.4
97.10184	9.0
101.06020	1.3
104.82769	1.5
105.07033	18.6
107.04951	3.2
107.08593	12.6
109.06537	2.2
109.10152	10.4
111.08089	2.6
117.07020	10.6
119.08607	14.3
121.06525	4.8
121.10165	7.5
123.08080	2.3
123.11700	1.8
125.09611	8.1
128.06213	1.8
129.07018	8.5
131.08578	14.5
133.06511	2.0
133.10109	9.8
135.08080	3.8
135.11746	2.7
137.09666	1.6
142.07770	1.5
143.08575	8.2
145.06477	3.5
145.10107	12.1
147.08122	1.8
147.11713	4.6
149.09618	1.8
149.13303	1.9
151.11241	1.5
155.08594	4.5
157.10130	8.7
159.08052	2.8
159.11673	8.7
161.09636	2.1
161.13264	2.3
163.11226	2.9
168.09355	1.8
169.10161	6.5
171.07980	1.6
171.10466	1.5
171.11659	7.3
173.09662	2.7
173.11882	2.5
173.13293	6.2
175.11278	2.2
181.10135	3.9
183.11717	3.4
185.09706	1.5
185.13321	5.8
187.11232	3.2
187.13315	1.6
187.14876	3.5
189.11241	6.8
193.12341	1.9
195.11743	3.9
197.13286	4.5
199.11287	1.2
199.14871	3.5
201.12781	1.6
201.16365	1.4
208.23697	1.5
209.13249	2.1
213.16385	1.4
221.13304	2.2
223.15041	1.7
225.16348	1.5
227.12823	5.4
241.15874	1.5
247.17046	1.6
259.20633	2.6
267.15964	2.7
275.20178	3.9
283.20709	2.2
285.22101	1.7
287.05563	3.1
297.22052	1.5
299.20892	1.3
299.23773	6.7
301.21625	1.8
415.29974	2.8
421.25708	3.0
433.31183	7.5
435.27368	2.0
451.32074	11.8
469.33279	7.0
487.34528	1.5
498.70697	1.5
507.34995	2.6
525.12207	1.4
525.35724	28.2
543.36877	100.0
544.38135	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.3
55.05504	0.6
56.96552	0.2
57.03427	0.3
65.89928	0.2
66.24627	0.2
67.05499	0.8
69.03424	0.5
69.07067	0.7
70.06567	0.2
70.80911	0.2
71.05006	0.4
71.11166	0.5
71.51905	0.2
72.08160	0.2
79.05489	0.9
79.34098	0.2
81.03407	0.4
81.07054	1.6
83.04991	0.4
83.08605	0.3
85.02922	0.4
85.06524	0.3
86.06067	0.5
86.09700	0.3
91.05469	0.6
93.07047	1.3
95.04981	0.5
95.08615	0.9
96.08127	0.2
97.02894	0.2
97.06550	0.3
98.06063	0.3
98.09700	0.2
99.04452	0.4
105.07027	0.9
107.04932	0.2
107.08606	0.7
109.02828	0.2
109.06557	0.5
109.10152	0.6
113.05997	0.2
113.09638	1.5
116.10726	0.3
119.08575	0.7
120.08103	0.2
121.06553	0.2
121.10157	1.8
123.08075	0.4
123.11729	0.4
125.09634	0.2
127.03893	0.2
131.08621	0.2
133.10104	0.4
135.08072	0.2
135.11719	0.3
136.41354	0.2
137.09595	0.3
142.08644	0.6
143.00296	0.2
143.08896	0.2
145.10188	0.4
146.99651	0.2
147.11664	0.3
149.09618	5.3
151.11192	0.3
159.11697	0.2
167.10689	2.2
173.13252	0.2
187.81734	0.2
189.82553	0.2
212.16446	3.0
213.16780	2.2
217.08646	0.2
226.18037	2.4
227.18318	1.7
238.65312	0.2
288.18088	0.4
289.18362	0.5
345.22958	0.3
350.15170	0.3
360.13623	0.4
363.06281	0.2
363.24384	0.3
366.14352	0.2
374.18192	0.6
375.18427	1.1
377.29010	0.2
378.14584	0.5
381.09537	0.4
381.26303	1.3
388.13049	0.6
390.14734	0.3
395.29858	0.5
402.14621	0.2
412.13007	0.3
423.07983	0.4
430.14008	0.6
432.15503	0.2
448.15152	0.6
466.16318	0.3
484.17004	0.5
499.30780	0.3
508.17194	0.7
513.30627	0.5
525.30035	0.3
526.18219	4.3
526.26123	0.2
543.31366	100.0
544.19189	1.6
544.31580	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54826	0.6
56.96556	1.9
63.02660	0.6
70.44260	1.5
70.44654	1.5
73.02919	1.0
85.02881	0.9
86.00501	0.6
86.09703	1.3
97.02869	1.1
98.97583	3.0
112.99111	1.0
116.98613	2.0
119.00525	0.8
131.00134	1.9
136.06180	0.7
149.01192	1.5
158.99693	1.4
159.01285	0.6
161.01326	1.0
161.02913	1.3
163.02605	0.9
163.04305	0.6
170.99559	0.8
171.05141	0.7
173.01347	1.3
173.02881	0.9
177.00754	1.0
183.01756	0.7
185.01208	0.8
189.00681	0.9
191.02242	1.8
203.02284	2.4
219.01785	1.9
219.07053	0.9
221.05110	1.1
237.02815	2.8
245.05122	1.0
291.09467	0.8
305.05453	2.8
321.04828	0.7
321.10266	2.5
323.06534	3.2
337.08087	2.8
351.10992	1.3
355.09146	1.8
363.06342	0.9
381.07919	11.8
543.13220	100.0
544.13617	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	543.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
57.72096	0.5
69.46291	4.8
70.33170	0.5
70.81307	0.5
85.28881	0.5
92.06215	0.5
93.59974	0.5
98.97546	1.4
112.89592	0.5
116.98597	1.3
125.47095	0.6
163.03877	0.7
174.99168	0.5
189.00754	1.1
189.02621	0.6
193.00201	1.9
219.01801	1.0
224.98386	0.5
237.02780	0.7
274.23047	0.5
279.03891	0.7
381.07828	12.0
381.12280	0.8
423.08075	0.7
543.13214	100.0
544.13611	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	543.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.48700	0.6
55.01875	0.7
55.05504	2.3
57.03414	0.6
59.05020	1.1
65.03941	0.8
67.05505	8.2
69.03436	6.1
69.07069	2.2
69.49825	5.7
70.06590	2.6
71.04992	1.0
72.08150	0.8
79.05491	5.5
81.07064	4.9
83.04987	2.7
83.08625	0.7
85.02904	2.7
86.09721	1.7
88.16942	0.6
91.05475	8.3
91.98675	0.6
93.07042	15.0
95.04950	5.0
95.08604	17.8
97.02882	3.2
97.06553	1.2
105.07038	7.3
107.08597	18.1
109.06504	4.7
109.10157	3.9
111.04443	0.7
111.08091	7.3
112.83817	0.6
115.03967	0.9
117.07060	2.4
119.04933	0.9
119.08605	5.0
120.08119	0.8
121.06523	3.8
121.10164	1.6
123.08066	17.3
128.06200	1.0
129.06987	1.8
131.08601	2.2
133.06505	3.0
133.10155	3.4
135.08058	3.2
135.11722	0.6
136.43390	0.7
136.79295	0.6
137.05989	2.7
137.09615	2.4
137.13373	0.7
139.07549	4.7
143.08588	3.2
143.74409	0.7
145.06502	2.6
145.10147	2.2
147.04420	1.4
147.08057	2.9
147.11697	2.1
149.06020	2.2
149.09688	1.3
155.08559	2.1
157.06491	0.7
157.10150	3.0
159.08038	3.2
159.11807	1.0
161.06004	2.0
161.09624	3.7
163.07608	1.5
163.11208	1.4
165.09114	23.2
167.08539	1.0
169.06500	0.9
169.08710	0.8
169.10190	1.4
171.08028	3.8
171.11732	1.2
173.09653	3.2
175.07655	0.9
175.11244	3.0
176.07063	0.7
179.08644	2.6
179.10696	2.3
181.10141	1.3
183.08179	1.9
183.10172	12.8
183.11670	1.0
185.09595	4.7
187.07594	2.0
187.11142	0.7
188.08426	1.1
189.07640	0.8
189.09087	3.7
189.12738	0.7
191.10675	1.2
192.09346	0.9
193.10204	2.2
193.12245	1.3
194.10954	1.2
195.07994	1.0
195.11713	2.5
196.08936	0.9
197.09641	2.8
197.13289	1.4
198.10428	0.7
199.07553	3.5
199.11247	2.3
201.09062	1.5
203.07039	1.0
203.10625	1.4
206.08139	1.2
207.08084	1.4
207.11746	2.2
208.08945	2.0
208.12625	0.9
209.09654	3.1
209.13292	3.0
210.10437	1.7
211.07599	1.8
211.11201	3.4
212.11862	0.9
213.09189	2.7
213.12663	1.1
215.07130	2.7
215.10587	3.6
216.05943	0.7
216.07867	2.9
217.08626	2.1
219.11761	0.9
220.12518	0.9
221.09695	1.4
221.13251	1.7
222.10458	2.8
223.11223	5.7
223.14836	1.4
224.12059	1.2
225.09128	6.3
225.12700	3.7
226.09927	1.3
227.07030	1.3
227.10785	2.5
227.14493	0.9
229.08496	0.9
229.12263	1.8
231.11870	0.9
233.09685	1.1
235.11168	3.3
235.14890	2.0
236.11967	1.6
237.09164	0.9
237.12761	3.9
237.16347	0.7
238.09879	1.5
239.10675	5.1
239.14334	2.3
240.11482	7.2
241.08710	1.7
241.12225	3.7
243.10071	1.4
243.13869	1.3
245.13300	2.0
246.10510	0.8
246.14211	0.9
247.11241	2.4
247.14853	0.9
248.12025	2.4
249.09023	1.5
249.12759	3.7
251.10735	2.1
251.14394	2.3
252.11415	1.2
253.08601	1.0
253.12149	3.5
253.16039	1.8
255.10274	1.3
255.13853	1.6
257.11850	2.6
259.11288	1.1
259.14877	1.0
260.12009	0.9
261.12640	3.2
261.16632	1.2
262.13559	2.0
263.10834	2.6
263.14359	8.4
265.12296	5.9
265.15842	2.2
266.12918	1.3
267.10272	1.8
267.13904	2.2
268.10950	1.6
269.11792	1.2
269.15408	0.8
271.14838	0.7
273.12787	4.0
273.16388	0.7
274.13580	1.8
275.14395	1.6
275.17889	1.1
276.11533	1.4
276.14963	0.8
277.12274	2.5
277.15967	4.1
278.13235	1.5
278.16727	2.4
279.10376	1.2
279.13873	4.2
279.17490	2.0
280.14673	1.2
281.11795	3.9
281.15442	6.7
283.13272	2.1
283.16638	0.8
287.05493	15.6
287.14337	1.9
288.05832	1.2
288.15173	1.6
289.12256	1.9
289.15894	3.1
289.19022	0.7
290.13208	1.0
290.16434	0.8
291.13818	7.5
292.14365	1.1
293.15204	3.4
294.16068	1.2
295.13724	1.3
295.16974	2.6
296.17734	1.9
297.15060	1.1
303.13873	1.3
303.17444	1.1
304.14685	0.8
305.15402	4.4
305.18759	1.4
306.16138	9.2
307.13333	2.0
307.16943	6.2
309.14935	5.6
309.18307	1.3
315.13605	1.0
315.17517	0.9
317.15378	1.1
319.13358	1.8
319.16791	1.0
321.11414	0.9
321.14966	1.6
322.15778	2.2
323.16483	8.4
323.20013	1.5
324.17233	13.0
325.18054	3.1
326.15292	1.6
327.16074	0.9
331.13110	1.0
331.16837	0.9
333.15054	1.1
333.18500	1.5
335.20074	1.0
339.15866	0.9
340.16882	2.0
341.17593	2.9
342.18274	12.0
345.13492	2.2
347.12714	0.9
349.14267	1.0
351.19797	1.7
353.13715	1.1
357.18225	1.1
368.16238	1.0
375.23514	1.0
385.17322	2.3
386.17224	4.0
387.18420	0.9
395.18546	1.0
397.20325	2.1
399.23230	1.5
403.18765	2.1
403.23453	1.3
407.22333	0.9
417.24228	1.6
421.23865	1.6
425.19861	1.0
427.22787	2.5
435.25714	1.1
443.22205	1.7
445.23758	7.2
461.23242	2.6
463.24838	9.3
479.24423	4.4
481.25876	9.4
483.23859	1.1
487.27335	0.9
489.22635	2.3
497.24933	3.1
499.27017	3.8
507.23892	7.3
515.26868	0.9
525.24915	11.2
543.25891	100.0
544.26208	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92524	0.4
53.95026	0.4
55.01860	1.4
55.05513	3.9
56.05020	0.8
56.96544	1.1
57.03447	3.2
57.07057	0.8
61.02912	0.7
62.06068	0.6
64.04621	0.5
67.05181	0.6
67.05505	8.7
69.03413	0.9
69.07069	9.3
70.06581	1.2
71.04976	1.0
71.59370	0.7
71.59769	0.6
72.08125	1.2
79.05140	0.4
79.05496	5.0
81.07059	11.3
82.06578	0.7
82.07388	0.6
83.04971	1.7
83.08608	0.9
84.04495	0.7
84.08102	1.5
85.02889	1.2
85.05276	0.9
85.06519	2.2
86.06071	22.6
86.09679	0.9
87.04433	1.0
91.05480	2.7
93.05730	0.5
93.07044	5.3
95.04940	1.1
95.08612	8.5
96.08136	9.6
97.02884	0.5
97.06516	2.0
97.10161	0.8
98.06055	4.1
98.09662	1.7
98.97529	0.7
99.04472	2.9
100.07562	0.6
105.07014	2.7
107.04932	0.7
107.08604	3.3
108.08162	3.0
109.06500	1.7
109.10147	2.6
110.09685	2.4
112.07576	1.2
114.09138	0.8
116.10732	6.5
119.08572	2.6
120.08112	3.4
121.10162	2.8
122.09650	2.2
123.08018	0.8
123.11671	1.4
124.07622	4.3
126.09145	0.7
127.03905	0.8
128.10780	0.8
131.08569	1.0
133.10095	1.1
134.09607	2.0
135.11664	2.2
136.11180	2.0
137.08298	0.5
138.09114	1.0
139.11020	0.5
140.10739	2.9
142.07571	0.8
142.08644	14.0
145.10165	2.4
147.11673	1.1
151.11119	2.3
152.10727	1.6
152.14317	1.4
154.12267	2.8
155.08485	0.6
158.11807	2.6
158.12914	0.6
160.11107	0.7
162.12788	2.4
163.11142	1.1
164.14346	1.9
166.08658	1.1
168.13908	0.8
169.12285	2.5
173.09650	0.8
178.46260	0.5
180.13873	0.8
181.12251	0.7
181.99097	0.5
182.15424	0.7
194.15463	2.9
195.38576	0.6
196.16953	0.6
199.13248	1.1
200.12846	0.6
208.16942	1.3
210.14986	0.6
210.18579	0.6
212.16460	97.5
213.16734	1.2
220.46062	0.5
224.16461	6.5
226.18024	100.0
227.16365	2.5
227.18378	1.1
227.94495	0.5
242.17595	2.8
252.16037	1.6
263.14221	0.7
268.19101	7.7
270.17108	2.4
272.14450	0.9
281.15137	2.1
281.65305	1.1
284.18402	0.8
288.18033	15.3
330.19113	4.1
333.24390	1.2
353.10303	1.2
356.17117	1.4
371.17218	0.5
374.18103	38.4
376.28455	2.9
381.09717	2.1
394.29526	8.8
399.25781	0.5
410.28793	0.8
436.30984	0.9
437.25113	1.1
438.28473	0.9
480.29285	0.7
481.24478	1.6
498.30569	9.4
524.28741	1.4
542.29657	58.4
543.31171	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	542.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.7
55.05504	5.6
56.05043	1.4
56.96558	1.0
57.03431	1.8
61.02900	1.2
62.06101	1.0
63.68378	0.9
67.05500	8.4
69.03436	2.0
69.07069	11.0
70.06583	4.4
71.05000	2.4
71.61056	1.4
72.08151	1.8
79.05499	5.6
80.05035	1.4
81.03412	1.2
81.07058	11.1
82.06586	1.7
83.04977	0.9
83.08614	2.9
84.04517	1.6
84.08096	1.1
85.02917	3.0
85.06541	1.6
86.06070	15.8
86.09705	3.4
91.05473	4.6
93.07037	7.1
95.04961	2.3
95.08605	7.9
96.08129	8.5
97.02938	1.2
97.06555	4.5
97.10168	1.4
98.06074	3.9
98.09695	2.2
99.04465	2.4
100.07622	1.3
105.07029	6.5
107.04958	1.0
107.08601	3.6
108.08133	3.7
109.06547	2.2
109.10192	2.7
110.09705	4.3
111.08038	1.0
111.11683	0.9
112.07635	1.5
113.06014	1.0
114.09193	1.6
116.10734	8.2
117.06997	1.4
119.07882	0.8
119.08572	4.5
120.08122	3.1
121.06514	1.2
121.08895	1.1
121.10168	4.1
122.09668	5.8
123.08075	1.7
123.11656	1.0
124.07590	3.8
124.11232	1.0
127.46883	0.9
130.04997	0.9
133.10130	1.1
134.09674	2.6
135.11717	2.9
136.07657	1.2
136.11212	1.8
138.09184	5.8
138.12781	1.1
142.08633	14.1
145.10155	2.4
147.11707	3.3
151.11179	3.7
152.14395	1.3
154.04979	1.7
154.12282	3.2
159.11760	1.3
160.11182	1.7
162.12827	3.5
164.14374	2.8
167.61200	0.9
167.62622	0.9
168.13802	1.0
169.12286	2.6
173.09779	0.9
182.15451	3.8
185.55605	1.0
186.09178	0.9
188.70340	0.9
194.15469	2.5
205.12286	1.1
212.16454	100.0
224.16501	4.1
226.18025	43.0
227.16356	0.9
236.16125	0.9
242.17514	26.6
243.15915	1.1
268.19183	6.6
270.17090	1.6
284.97485	0.9
287.05688	1.0
287.10239	1.7
288.18036	15.0
313.12747	1.1
330.19116	16.6
331.68585	1.0
333.24335	1.1
349.24045	1.2
353.11346	1.2
356.17133	1.2
374.18091	53.2
380.27832	1.3
381.09848	2.1
382.38846	1.0
392.28137	1.3
394.29669	2.7
410.29178	6.0
438.28412	1.2
468.48691	1.0
481.24399	1.8
498.30612	7.9
510.18610	4.8
517.14789	0.9
542.22943	2.4
542.29669	66.8
543.30988	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	543.0444
Annotation	8-Hydroxyapigenin 8-(2''-sulfatoglucuronide)
Peak:m/z	Relative Intensity
64.64288	0.1
67.01856	0.5
67.05492	0.2
68.99799	0.3
69.03398	0.2
69.07049	0.1
70.06581	0.4
71.04971	0.2
71.60834	0.2
72.08137	0.1
79.05483	0.2
80.14069	0.1
80.93604	0.1
81.07038	0.2
84.04494	0.1
84.08134	0.2
85.02901	0.8
86.09682	0.2
89.02962	0.1
91.05504	0.1
93.07058	0.2
95.04967	0.2
95.08619	0.3
97.02869	0.2
102.32923	0.1
105.07025	0.2
106.93324	0.1
107.04967	0.1
107.08595	0.2
109.10126	0.2
111.04465	0.1
117.03394	0.1
118.82825	0.1
121.10161	0.1
129.01842	0.2
129.05437	0.1
133.10121	0.1
135.04416	1.4
135.08015	0.1
137.02321	0.5
137.05949	0.4
138.05347	0.1
147.11642	0.2
153.01826	3.6
161.02351	0.5
163.07619	0.1
167.88806	0.1
169.01801	0.1
171.02928	0.8
179.03500	0.2
184.07457	0.1
203.03462	0.2
203.10658	0.1
209.08223	0.1
231.06653	0.1
241.04951	0.6
269.04431	0.3
275.07339	0.1
287.05499	100.0
288.05878	0.7
305.10779	0.1
335.09491	0.2
372.71445	0.1
445.07568	0.1
463.08771	2.5
542.22229	0.2
543.04431	2.6
543.24170	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47964	0.6
57.03425	0.6
61.02925	1.1
67.05468	0.6
69.03415	1.8
70.06581	1.2
70.15986	2.8
71.04983	0.8
79.05476	1.9
81.03410	1.2
81.07054	2.1
85.02905	6.3
86.09668	0.7
91.05470	2.6
93.07035	0.8
94.04174	1.9
95.08603	0.8
97.02881	1.6
101.61556	0.6
103.05465	5.6
105.07035	5.3
106.04179	1.5
107.04916	1.3
109.06559	1.0
117.07048	0.7
119.04947	1.1
121.06492	3.6
122.03651	5.2
127.03907	1.4
128.06187	1.2
131.04924	8.0
133.06485	18.8
135.08037	6.2
137.05972	100.0
143.04973	1.0
143.08583	1.0
145.05013	0.9
145.06483	3.0
147.08040	1.9
149.05969	2.9
149.09483	0.8
150.06683	1.0
151.07556	5.7
157.06479	1.1
162.09143	1.0
163.07536	28.3
165.09088	1.4
167.06995	0.8
171.08037	2.3
174.06628	0.8
175.07523	2.1
177.05479	0.9
177.09113	1.1
177.45998	0.8
181.08606	1.6
187.07619	1.0
188.08284	1.1
189.09090	3.6
193.08643	4.7
203.10657	5.4
208.09625	1.4
209.08054	4.7
210.08357	0.9
211.09694	8.7
219.10190	1.2
220.10442	0.8
221.11600	1.0
235.11154	1.2
263.10638	1.0
287.05490	3.0
295.13266	17.0
303.09842	0.8
308.26865	0.9
327.15891	31.4
345.16919	3.0
361.02200	2.3
365.83249	0.7
379.03275	0.9
493.10550	0.7
510.18762	1.0
526.85181	0.8
542.20673	0.9
543.24188	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	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02368	1.2
53.03945	6.7
55.01866	3.1
55.05508	19.0
57.03430	2.6
57.07070	2.8
59.04995	0.8
65.03930	4.2
67.05502	61.2
69.03431	2.1
69.07066	13.6
70.10881	3.1
71.04995	1.9
71.08624	1.3
73.06543	1.0
77.03928	2.0
79.05489	76.3
81.03412	7.1
81.07052	53.6
82.07389	0.7
82.31090	0.7
83.04968	8.4
83.08614	8.2
85.06544	1.7
91.05476	56.6
93.07039	69.5
95.04964	19.4
95.08602	36.0
97.02901	0.7
97.06509	3.6
97.10162	3.5
99.08075	1.5
103.05452	1.7
105.04527	1.7
105.07024	33.1
107.04967	4.9
107.08589	22.4
107.09286	1.3
109.06487	5.2
109.10149	9.7
111.08099	2.1
115.05424	1.3
117.07012	10.2
119.08578	23.2
121.06500	2.2
121.10132	16.1
123.08054	4.8
123.11726	1.3
125.09611	1.3
127.07584	1.5
128.06226	2.2
129.07001	10.7
130.07764	0.9
131.08565	10.5
133.06447	0.7
133.10129	12.6
135.08051	0.9
135.11690	7.4
135.38701	0.6
139.11159	0.6
141.06963	1.1
143.08560	7.9
145.10109	10.6
147.08000	1.1
147.11679	25.7
149.13235	3.1
155.08548	1.0
157.10158	2.2
159.11679	4.1
161.09634	3.0
161.13258	10.4
163.14827	1.1
167.08646	0.6
167.81277	0.7
169.10159	1.8
170.42783	0.7
171.11694	19.9
173.13310	2.8
179.14337	1.0
183.11653	1.4
185.13225	0.8
187.14847	1.6
189.12732	8.3
195.11716	0.9
197.13284	1.2
199.14937	0.9
207.13785	21.8
207.15717	1.1
211.14757	0.8
225.12730	0.7
225.14854	2.9
243.21120	1.2
247.25752	0.7
256.26498	0.8
261.22183	2.9
281.17468	1.3
291.06110	0.8
310.31299	0.9
317.24927	1.0
367.28220	0.7
449.34341	1.0
467.35446	1.0
485.36661	0.8
523.37836	1.2
541.38928	100.0
542.39386	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	541.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	5.4
55.01872	1.2
55.05260	1.2
55.05511	14.7
57.03419	1.8
57.07066	2.3
65.03944	3.6
67.05502	44.5
69.03429	1.3
69.07068	10.2
71.04189	1.7
71.05003	2.2
71.08618	0.8
73.06549	1.5
77.03888	0.6
79.05492	56.4
80.73705	0.6
81.03423	5.0
81.07056	43.1
83.04974	6.9
83.08622	5.4
85.06558	1.3
91.04880	1.2
91.05477	42.9
93.07042	55.0
95.04961	15.1
95.08607	28.9
95.09238	0.7
97.06503	3.3
97.10175	3.3
103.05482	1.1
105.04506	1.3
105.07028	29.3
107.04966	4.2
107.08588	19.9
109.06518	4.2
109.10146	6.3
111.08080	1.5
115.05469	1.3
117.07002	6.7
119.08580	19.0
121.06548	1.5
121.10138	13.2
123.08067	2.9
123.11737	1.2
125.09600	0.9
128.06250	1.3
129.07002	9.9
131.08568	8.0
133.10136	9.9
135.08095	0.8
135.11699	8.1
137.49628	0.7
141.07047	0.7
142.07816	0.9
143.08559	5.8
145.10109	8.5
147.08122	1.7
147.11684	23.7
149.13274	2.5
155.08565	1.3
157.10138	2.5
159.11736	3.6
161.09605	3.6
161.13263	9.2
169.10101	2.1
171.11681	18.9
173.13254	2.9
175.14908	1.0
177.12752	0.7
179.14236	1.3
183.11754	1.4
185.13295	1.2
189.12744	7.7
197.13380	1.1
199.14734	0.7
207.13785	19.2
209.13229	0.7
211.14760	0.8
213.16528	0.7
225.14891	1.9
243.21167	1.1
256.26505	0.6
261.22021	3.7
271.26721	0.6
281.17569	1.1
317.24783	1.4
431.33423	1.0
449.34021	1.9
467.35165	1.0
523.37836	2.2
540.53174	0.7
541.38904	100.0
542.39697	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	541.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.7
53.21540	1.1
55.01860	3.5
55.05513	18.8
57.03432	3.2
57.07073	1.7
65.84721	1.3
67.05506	26.4
69.03428	2.0
69.07071	8.1
70.11358	1.2
71.04966	2.1
79.05492	19.1
81.03416	9.0
81.07056	19.4
83.04989	3.7
83.08622	9.0
87.04461	1.2
91.05479	18.9
93.07055	15.6
95.04993	6.7
95.08611	11.5
97.06515	2.3
97.10150	11.3
98.20718	2.6
105.07027	15.7
107.04936	3.0
107.08591	11.0
109.06532	2.8
109.10178	9.0
115.05444	2.5
116.06295	1.3
117.07015	8.9
119.08582	11.3
121.06497	2.4
121.10138	5.1
123.08042	2.0
123.11698	1.9
125.09660	8.0
128.06236	4.7
129.07010	9.0
131.04921	1.8
131.08575	14.8
133.06413	1.3
133.10132	8.1
135.08058	3.3
135.11694	3.0
141.07002	5.1
142.07761	2.8
143.08559	12.7
145.06541	2.6
145.10130	11.1
147.08018	2.4
147.11696	3.6
151.11362	1.2
154.07806	1.3
155.08537	7.5
157.10103	12.2
159.08073	2.2
159.11711	4.3
161.09665	3.4
161.13234	2.0
163.11267	2.3
165.07043	1.9
167.08578	3.0
169.10103	8.6
171.08113	2.3
171.11684	6.8
173.09705	1.8
173.13269	2.5
179.08611	1.6
181.10123	5.2
183.11662	7.2
185.09595	3.0
185.13295	5.4
187.11261	1.7
187.14853	2.4
188.90256	1.4
189.11264	4.0
193.10185	2.5
193.12296	1.8
195.11671	6.2
197.09660	1.9
197.13251	4.4
199.11261	1.2
199.14844	3.2
201.12810	1.5
207.11674	2.8
209.13251	3.4
211.11237	1.9
211.14865	1.6
221.13263	1.9
223.14862	2.9
225.12935	1.4
227.12845	5.0
229.14268	1.3
229.63313	1.8
237.16612	1.3
257.19174	1.8
263.18039	1.5
275.20056	5.9
297.22089	6.6
315.23132	1.2
337.21625	1.9
403.30014	1.3
413.28384	1.8
421.31177	3.4
431.29367	6.4
443.28098	1.3
449.30359	11.2
467.31696	7.2
485.32056	2.6
487.32645	1.9
513.35870	1.4
523.34204	13.6
541.35260	100.0
542.35339	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	541.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.4
55.01883	2.9
55.05266	1.3
55.05514	15.3
56.13860	1.2
57.03426	2.6
57.07086	2.0
65.03927	2.0
67.05504	20.6
69.03424	2.3
69.07081	7.9
70.50772	4.1
79.05492	16.3
81.03412	6.8
81.07057	20.9
83.04976	4.1
83.08625	8.1
86.64811	1.2
89.83750	1.2
91.05481	15.7
92.02126	1.4
93.07037	11.9
95.04974	7.7
95.08613	13.2
97.06544	2.0
97.10175	10.4
105.07035	15.0
107.04971	3.5
107.08600	9.3
109.06540	2.2
109.10173	6.6
111.08078	1.8
115.05444	2.0
117.07019	10.2
119.04941	1.5
119.08595	9.9
121.06524	2.1
121.10177	6.2
123.08079	2.0
123.11700	1.4
125.09611	7.3
128.06223	3.2
129.07001	9.6
131.08582	10.6
133.06464	2.2
133.10149	7.5
135.08078	3.5
135.11719	2.7
141.06978	3.5
142.07805	2.8
143.08559	8.9
145.06496	3.4
145.10127	9.5
147.08075	1.2
147.11705	4.4
149.09625	1.4
155.08556	5.7
157.06512	1.3
157.10153	8.3
159.08119	2.4
159.11722	7.2
165.07076	1.3
167.08621	2.8
169.10159	7.0
171.08008	2.2
171.11740	5.8
173.09618	2.3
173.13297	2.3
175.11223	1.8
179.08545	2.2
181.10172	4.0
183.11708	6.1
185.09579	2.5
185.13310	5.1
187.11227	2.1
189.11264	4.4
193.10213	2.3
193.12247	2.3
195.11754	3.9
197.09505	1.8
197.13324	5.0
199.11217	3.0
199.14999	2.1
200.68892	1.2
207.11734	4.3
209.13408	2.5
211.11485	1.5
211.14879	1.8
221.13388	1.9
223.14919	2.2
227.12807	5.4
235.14900	1.9
239.14461	1.3
239.17992	1.6
257.19095	1.8
275.20151	3.3
295.20474	1.5
297.22025	6.0
313.21692	1.8
323.19949	1.8
337.21680	1.7
351.23514	1.9
413.28528	1.8
421.31122	1.7
431.29669	5.8
443.27856	4.3
449.30557	11.2
467.31534	4.9
468.73544	1.4
485.33011	2.0
523.34137	13.3
541.35278	100.0
542.35571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
55.05501	0.8
57.03424	0.6
57.53604	0.7
61.02907	0.9
61.62527	0.7
63.17035	0.7
67.05486	1.0
69.03413	2.2
69.07053	1.1
70.06586	3.7
70.25285	1.6
70.25701	2.6
71.04960	0.8
72.08118	0.8
79.05464	1.3
81.03391	2.1
81.07053	1.8
83.08575	0.8
84.04496	0.9
84.08118	3.1
85.02907	7.2
85.53497	0.6
86.09692	1.2
87.09230	3.7
91.03925	1.0
91.05467	8.2
93.07024	1.9
95.04946	2.9
95.08576	2.0
97.02880	2.1
98.20741	0.9
103.05481	1.2
105.07006	3.1
107.04936	1.4
107.08601	1.2
109.02920	0.7
109.06478	2.0
109.10158	1.4
112.07588	2.2
115.05425	1.3
117.07011	1.1
119.04932	6.0
119.08545	1.1
120.08071	1.3
121.06496	1.7
121.10123	1.3
122.03654	1.2
122.10523	1.0
127.03910	1.9
128.06206	1.8
129.06990	8.9
129.10239	2.0
131.04915	2.4
131.08548	6.8
133.06459	1.0
133.10069	1.1
135.08032	1.9
135.11678	0.8
136.05179	1.0
137.05972	33.5
141.06950	5.0
143.04906	1.0
144.05704	1.7
145.04930	1.8
145.06467	2.3
147.08112	0.8
149.05977	6.3
150.06526	0.7
151.07539	41.0
157.06485	8.7
158.07233	2.2
159.08055	6.0
160.05103	0.8
161.06007	4.1
161.09589	1.5
163.06245	1.2
163.07521	9.9
165.06949	0.9
165.09084	2.1
167.08517	3.5
169.06461	2.9
170.07251	1.1
174.06766	12.9
175.07513	5.1
175.14938	0.8
177.09016	2.0
178.07811	1.1
181.06403	0.8
181.10039	0.8
184.52490	0.7
186.06755	3.0
186.10263	0.9
188.83836	0.9
189.09097	35.3
191.10658	2.2
193.06453	2.3
193.10132	2.4
195.08047	7.9
201.09088	8.4
207.10175	2.3
209.09648	1.3
210.06758	1.3
211.07529	1.1
219.10155	100.0
221.05966	2.2
221.09570	3.3
223.07552	3.7
225.09099	3.9
227.10692	12.5
237.09042	1.0
238.06160	1.0
240.07901	1.3
249.09116	2.9
253.08621	4.6
253.12260	6.4
255.10130	12.8
257.10400	1.7
258.10568	2.2
267.10129	1.8
269.08136	0.9
269.11877	1.4
272.10513	1.3
281.11752	1.8
285.11206	8.7
287.12772	25.1
299.12921	0.8
301.14322	0.8
313.14313	23.7
324.25671	1.0
331.15390	93.6
343.15219	1.8
378.14896	1.0
453.34436	1.0
540.29321	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	540.2079
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01868	3.1
55.05509	0.9
56.79800	0.4
56.96569	0.6
57.03182	0.6
57.03440	6.6
59.05005	0.5
61.02928	4.3
61.63074	0.4
65.03939	1.3
67.05492	1.0
69.03426	11.1
69.07056	0.9
70.08181	1.1
70.08572	1.3
71.01360	1.2
71.04999	0.7
73.02921	20.4
75.68688	0.4
79.05486	2.2
81.03411	1.4
81.07067	2.2
85.02906	23.4
86.09714	0.7
87.04469	1.9
91.05481	100.0
92.05809	0.5
93.07069	1.1
95.04970	1.3
95.08610	1.2
97.02892	18.7
97.06536	0.9
98.97584	0.8
99.04465	0.9
103.03957	1.1
105.07014	0.7
107.04958	43.0
107.08600	1.6
109.02875	1.6
109.06598	0.5
109.10164	0.7
115.03929	9.4
117.49462	0.5
119.04914	0.9
119.08646	0.5
121.06535	1.0
121.10156	0.7
123.11707	0.7
127.03921	7.8
129.95998	0.5
131.04903	0.8
133.04961	11.5
135.11703	0.8
145.04958	10.3
145.06248	0.8
149.01205	0.6
149.05980	1.1
153.76758	0.6
158.76906	0.6
161.05949	0.8
163.06010	3.5
169.04965	0.5
173.06012	1.1
190.11121	0.6
191.07104	1.3
193.04875	0.8
203.07051	0.7
217.51726	0.5
221.08136	1.6
223.06050	1.4
229.08592	8.2
241.07101	2.4
259.08179	1.9
265.09619	0.9
267.81006	0.5
277.09290	0.6
279.11221	0.6
280.14410	1.3
307.26376	0.8
317.11227	0.6
331.12161	2.4
339.13385	1.1
340.14404	0.6
385.13901	1.3
540.22772	1.7
540.30414	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	539.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19331	3.3
53.03937	4.5
54.18624	2.6
55.01874	9.4
55.05303	2.6
55.05518	27.1
57.03441	17.2
57.07080	47.2
63.63308	3.3
67.05205	3.9
67.05516	30.7
67.61485	3.8
69.03410	4.5
69.07056	9.7
71.04990	3.6
71.08637	40.9
79.05505	25.4
81.03398	11.2
81.07064	42.9
83.04977	15.1
83.08624	19.6
85.02908	6.2
85.10208	16.8
91.05480	15.6
93.07054	29.5
95.04959	7.7
95.08620	40.1
97.06561	5.1
97.10168	11.1
98.20708	6.7
99.04356	3.3
105.07042	11.8
107.04951	8.2
107.08604	12.1
109.06522	5.5
109.10158	13.0
111.04435	8.0
111.08086	3.5
117.07026	9.0
119.08596	8.7
121.10141	10.2
123.08076	4.7
127.37469	2.6
129.56125	3.6
131.08528	3.2
135.11696	15.6
136.46854	2.9
145.06638	3.9
145.10130	13.4
147.12334	3.2
163.11197	26.3
173.09648	8.9
181.12254	8.3
191.10695	7.7
209.11798	14.6
227.12743	22.0
239.23633	6.3
283.15442	86.7
313.27377	100.0
521.38428	55.5
539.39264	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	539.3946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	12.2
55.05494	27.7
57.03429	12.5
57.07079	54.8
67.05506	43.1
69.07055	18.0
70.44895	18.5
70.45301	14.3
71.08621	34.3
79.05477	20.6
81.03410	13.2
81.07054	38.3
82.80767	7.5
83.04974	10.9
83.08625	21.0
85.02875	10.2
85.10175	21.2
91.05481	26.9
93.07029	27.6
95.04958	11.3
95.08611	47.8
97.10166	9.8
104.37698	7.7
107.08644	13.8
109.10149	13.4
113.39673	8.0
124.74835	7.2
135.11739	9.7
145.10181	10.6
151.72984	7.0
163.11160	26.8
178.45938	7.7
181.45955	7.2
209.11685	17.5
226.79686	7.2
227.12828	16.2
239.23692	21.3
268.69632	7.2
283.15356	40.8
313.27386	75.0
324.19141	7.4
521.38525	66.3
527.71460	8.5
539.38989	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	539.3948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02129	1.8
52.93493	1.6
53.03928	3.0
55.01875	23.9
55.05513	22.2
55.82828	1.8
57.07079	58.0
67.05508	38.0
69.03431	11.5
69.07076	18.7
69.36153	4.9
69.36560	16.1
70.54364	1.9
71.04993	2.0
71.08636	36.5
79.05506	20.4
81.03424	6.6
81.07062	35.8
82.04182	3.4
83.04995	11.2
83.08616	18.8
83.11868	2.1
84.04534	1.9
85.02894	2.9
85.10184	22.2
89.06037	14.7
91.05471	17.1
93.07061	16.4
95.04973	9.5
95.08611	35.8
97.02905	3.1
97.06516	7.6
97.10181	11.4
98.07290	6.7
99.11761	1.9
105.07053	8.4
107.04973	5.3
107.08599	9.4
109.02890	3.5
109.06490	2.1
109.10163	17.5
109.14514	2.0
111.04443	5.5
111.08102	2.4
117.07030	4.7
119.08582	4.0
121.10187	5.9
123.08099	3.7
123.11720	8.6
125.06068	2.3
125.09612	5.0
127.03969	2.5
127.11153	3.8
129.07042	2.7
131.08591	2.3
133.08649	6.2
133.10139	4.4
135.11679	3.4
139.11151	2.2
145.10176	4.7
147.11703	3.9
157.10164	4.3
158.05804	5.2
163.11195	4.2
171.06534	9.7
173.12978	2.0
177.11250	2.5
185.08109	4.6
187.28140	2.3
191.10698	2.4
199.09723	3.0
209.11755	10.7
221.22755	2.2
227.12860	6.3
239.23685	12.9
242.15144	2.3
255.15866	5.3
269.17526	2.7
283.15396	6.2
292.38739	2.4
311.04269	2.0
311.21951	3.6
313.27560	10.2
333.07397	2.0
354.27890	3.0
367.28561	12.1
381.30038	4.8
395.31671	6.6
438.37131	6.8
493.38660	2.5
521.38763	6.1
539.39471	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	539.3945
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	13.8
55.05517	34.3
57.03434	7.3
57.07077	44.7
67.05511	44.9
69.03436	10.8
69.07054	17.2
71.08636	32.1
79.05489	29.0
81.07058	49.2
83.04981	19.1
83.08609	26.4
85.10184	22.5
91.05488	18.7
92.73952	5.0
93.07027	21.2
95.04984	7.9
95.08619	48.1
97.02887	10.5
97.10181	9.2
98.20692	9.7
105.07025	6.9
107.08585	23.3
109.10168	20.3
111.04431	31.4
117.07030	5.1
119.08604	9.8
121.10126	8.9
123.11655	10.7
127.03953	6.7
131.08533	7.0
133.10098	5.2
145.06549	5.0
145.10115	11.7
159.82417	5.2
163.11208	9.2
171.06490	6.3
173.09615	6.3
181.12216	6.1
191.10735	8.1
209.11736	100.0
227.12738	40.3
239.23732	16.4
283.15466	53.1
313.27307	31.4
367.28528	8.8
392.39783	5.4
395.26889	6.4
521.38416	51.1
532.45532	5.4
539.39459	90.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3429
Annotation	Virenamide A
Peak:m/z	Relative Intensity
53.03930	2.3
55.05508	18.9
55.74536	2.3
57.03421	3.0
57.07056	5.6
65.01994	2.4
67.05503	27.1
68.68326	2.2
69.03437	6.7
69.07070	40.5
70.06581	2.9
70.81178	7.2
71.04993	3.8
79.05493	11.5
81.07059	100.0
82.44149	2.2
83.04954	4.1
83.08627	13.5
85.02905	10.5
85.06545	19.8
91.05462	8.0
93.07043	45.2
95.04964	3.5
95.08609	78.0
97.02880	4.0
97.06545	7.9
97.10179	25.7
99.08089	6.8
105.06398	2.2
105.07017	14.9
107.08592	43.8
109.06521	3.2
109.10159	42.7
111.08080	10.6
111.11726	12.4
113.09682	2.7
119.08604	15.6
121.10136	49.1
123.08099	3.9
123.11703	53.5
125.09609	5.6
127.90757	2.4
133.10106	11.4
135.11684	22.2
137.09589	2.6
137.13271	25.9
139.11174	13.3
143.08577	2.9
143.10689	5.0
145.10103	6.2
147.11679	9.1
149.09602	4.4
149.13277	39.2
151.11200	5.2
151.14799	4.0
153.12717	4.9
157.10129	3.5
157.12267	8.6
159.11694	5.1
161.07166	3.2
161.13316	8.2
163.11206	3.9
163.14833	14.1
165.09059	3.0
167.10666	5.9
167.14322	3.9
171.13805	2.6
173.13312	5.1
175.14841	4.1
177.12706	3.0
177.16312	3.6
179.14258	2.4
181.12238	11.4
185.11703	3.4
187.13412	11.3
187.14851	3.9
189.16364	6.6
190.28772	2.4
195.13849	3.9
197.19066	2.6
199.14867	3.8
203.12762	5.4
205.19595	3.1
209.15355	3.5
213.16466	3.4
223.16939	4.1
227.23944	2.9
231.17343	3.9
235.16917	4.1
237.18585	4.5
245.22636	4.5
249.18608	3.5
259.24243	2.6
263.23639	3.0
269.22534	3.6
277.25226	2.6
287.23828	13.4
287.26553	2.1
293.24744	9.6
297.27881	5.2
305.24722	75.1
311.25757	5.4
323.25836	58.8
341.26871	31.6
359.21368	3.0
359.27914	13.6
377.23090	3.8
377.29172	4.7
485.95102	2.7
514.87201	3.0
539.28070	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	539.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.2
54.58577	1.2
55.05515	11.2
55.76928	1.3
57.03429	3.3
57.07067	4.4
58.32087	1.2
59.05008	2.3
61.73281	1.3
65.03960	1.3
67.05502	29.4
67.14118	1.1
69.03435	4.1
69.07068	29.8
70.26028	4.3
71.04993	6.5
79.05492	19.1
81.07055	100.0
83.04985	5.9
83.08620	9.6
85.02895	7.0
85.06542	8.8
85.32578	1.3
91.05473	13.0
93.07040	54.9
95.04971	17.0
95.08607	60.7
97.02891	1.7
97.06528	6.9
97.10162	5.5
98.97611	1.6
99.08083	4.8
103.05463	1.6
103.61892	1.6
105.07025	24.7
107.04992	1.3
107.08595	43.0
109.06531	8.1
109.10155	57.0
111.08089	8.1
111.11732	4.8
113.06087	1.2
113.09627	1.3
115.07569	1.2
117.07020	2.0
119.08569	19.6
121.06501	1.3
121.10143	43.6
123.08095	4.3
123.11702	38.6
125.09633	4.7
127.03890	1.9
127.07567	1.8
127.11176	4.1
129.06998	1.8
131.08575	6.1
133.10133	14.9
135.08069	1.5
135.11682	22.0
135.49745	1.2
137.06004	1.9
137.09650	5.6
137.13272	10.6
139.11205	9.1
141.12816	2.1
143.08574	1.8
143.75537	1.2
145.10132	9.4
147.11679	22.1
149.09587	2.2
149.13258	12.7
151.11191	4.4
153.12714	8.6
155.10719	2.1
157.10110	3.8
159.06630	1.4
159.11697	10.8
161.13272	9.3
163.11107	1.6
163.14842	6.3
165.12735	6.2
167.06976	1.3
167.10690	4.6
169.12288	1.7
171.11746	2.7
171.13794	2.4
173.13245	6.5
175.14832	5.7
177.09135	2.2
177.12671	2.3
177.16364	4.7
179.14282	1.8
181.12198	2.1
183.13805	1.9
185.13412	2.0
187.13257	3.1
187.14865	5.3
189.16393	5.5
191.07159	1.4
191.17851	1.4
192.52002	1.3
193.15891	3.9
199.14861	3.7
201.16458	2.4
203.17969	2.6
207.17448	2.4
209.08026	1.9
211.16843	1.8
213.16374	6.2
231.17459	4.2
249.18533	3.8
253.17928	1.9
258.77719	1.5
259.24222	1.3
267.19540	2.6
269.22528	9.3
275.23767	5.2
277.25333	2.1
280.15100	1.5
287.23730	22.5
293.24704	7.2
305.24744	41.7
311.25995	1.8
312.78970	1.3
323.25827	30.9
327.13101	2.5
339.13376	1.8
341.26767	4.2
359.28067	2.5
377.28928	1.7
388.61923	1.5
412.58737	1.3
469.43738	1.2
477.23965	1.5
508.20224	2.2
540.23920	1.5
558.21954	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	539.3432
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.05510	20.8
57.03427	2.9
57.07080	7.4
65.03931	2.9
67.05508	47.3
69.03425	11.0
69.07070	33.4
70.01870	10.9
70.02277	6.5
71.04990	9.4
72.08148	11.5
74.36826	3.6
79.05499	19.2
81.07060	100.0
83.04996	9.3
83.08612	9.9
85.02918	11.9
85.06554	16.7
91.05463	14.6
93.07046	54.1
95.04977	17.4
95.08054	4.5
95.08615	68.7
97.02928	3.7
97.06538	9.5
97.10181	6.7
98.21500	3.4
99.08096	3.2
105.07036	32.4
107.04940	4.7
107.08595	41.1
108.08916	2.8
109.06533	11.4
109.10159	98.4
111.08085	9.2
111.11722	7.6
117.07065	4.8
119.08570	22.6
120.08111	23.0
121.10143	40.1
123.11710	39.3
127.11168	9.1
131.08603	9.8
131.82736	2.8
133.10139	21.3
135.11711	28.1
137.05997	8.9
137.09639	6.2
137.13251	11.7
139.11174	9.7
144.84485	3.0
145.10118	14.0
147.11716	21.9
149.09663	4.4
149.13228	20.2
151.11159	3.7
153.12761	11.6
155.10669	5.0
157.10182	3.3
159.11719	12.7
159.86414	2.9
161.13261	10.7
163.11212	3.9
163.14850	6.0
165.12819	7.5
167.14334	5.4
171.13774	4.6
173.13309	7.1
175.07562	6.7
175.14803	6.2
176.07872	6.1
177.05461	3.5
177.12830	3.5
177.16408	5.8
179.14374	3.9
185.13190	3.2
187.14778	7.3
191.07077	5.5
191.11867	6.8
192.07657	3.6
201.16376	5.8
203.17996	4.1
205.55254	3.3
209.08081	7.2
213.16409	7.2
219.11269	8.9
219.17462	3.7
249.18518	6.0
267.19635	7.3
269.22705	12.3
275.23511	5.9
287.23770	23.1
293.24722	8.7
305.24713	52.1
311.25870	5.0
322.17474	4.7
323.25772	42.5
341.26923	10.4
539.24524	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	537.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
53.67104	1.7
55.01870	3.2
55.05516	17.6
57.03443	9.0
57.06787	2.2
57.07074	42.0
65.03940	2.1
67.05506	50.3
69.07066	17.2
69.67535	7.1
69.67955	6.5
71.04979	2.2
71.08638	30.0
79.05060	3.7
79.05496	54.6
81.03429	5.0
81.07059	49.2
83.04986	15.3
83.08627	16.6
85.06518	3.6
85.10168	13.7
91.05489	45.0
93.07047	55.9
93.07626	3.5
95.04970	21.0
95.08047	2.9
95.08611	39.4
97.06516	2.3
97.10165	9.0
98.21432	3.5
103.07611	2.5
105.04545	2.5
105.07030	37.3
107.04939	6.4
107.08601	17.0
109.06495	5.7
109.10165	13.0
113.97906	1.8
117.07029	9.1
119.08592	18.8
121.10126	4.4
123.08066	5.3
123.11729	3.4
128.06175	2.6
129.06993	17.5
133.10147	8.8
135.11641	2.1
143.08559	8.4
143.24857	1.7
145.10152	8.5
147.08125	2.2
147.11693	27.6
161.09657	4.2
161.13306	10.0
171.11688	23.4
189.12744	11.4
200.14059	2.1
207.13805	29.2
225.14906	2.5
239.23732	2.8
281.17490	54.3
313.27365	77.4
358.63333	1.8
519.40503	100.0
537.37720	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	537.3787
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	3.2
53.03937	3.2
55.01863	3.6
55.05266	1.6
55.05513	22.1
57.03428	4.7
57.07079	25.3
67.05505	22.4
67.93488	1.3
69.07074	14.5
71.01371	1.6
71.08636	17.9
71.59281	1.3
71.59912	2.1
71.60393	2.6
73.00800	1.4
74.48814	1.3
79.05482	11.5
81.03417	4.4
81.07057	27.7
83.04975	3.4
83.08623	19.5
85.10197	10.8
91.05481	16.5
93.07052	15.7
95.04976	8.4
95.08613	21.2
97.02906	4.2
97.10157	9.2
99.00825	8.5
99.04469	2.1
103.49750	1.3
105.07027	13.6
107.04954	4.7
107.08603	6.2
109.02874	4.4
109.06522	2.8
109.10142	10.2
111.04446	1.5
111.08085	3.0
111.11678	2.0
115.19051	1.6
117.07013	3.1
119.08598	8.9
121.06552	4.1
121.10152	6.1
123.11718	4.2
125.09621	3.0
131.08615	2.4
133.10143	17.9
134.72498	1.5
135.08064	1.8
135.11716	2.2
137.13272	1.7
143.08542	3.6
145.10172	3.6
147.08034	1.6
151.11182	6.2
161.09659	11.2
163.11200	4.0
169.12271	1.4
179.10686	6.8
185.13263	1.6
189.09155	4.1
197.11801	2.2
207.10211	3.4
209.11751	3.0
212.84244	1.3
225.11189	12.8
227.12883	3.8
239.23677	7.1
243.12335	2.7
281.13559	1.7
283.15430	6.0
311.25858	6.3
445.33105	1.8
501.35605	1.7
519.37189	6.7
537.37866	100.0
538.38092	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	537.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72771	0.9
53.00294	3.4
53.03934	1.3
53.53163	0.9
55.01871	1.8
55.05265	1.1
55.05511	15.5
55.61901	0.8
57.03428	1.2
57.07078	25.9
59.04988	1.6
63.75875	1.0
65.03938	1.2
67.05510	19.3
69.03420	1.8
69.06782	0.9
69.07081	9.9
69.48526	7.9
71.01340	0.9
71.08634	19.4
79.05494	9.7
81.03399	3.2
81.07057	22.0
83.04971	3.0
83.08625	18.5
85.06547	1.8
85.10192	8.8
91.05470	14.4
93.07059	10.8
95.04992	4.4
95.08049	1.4
95.08605	17.6
97.02887	3.0
97.06535	1.5
97.10168	6.5
99.00809	7.2
105.07043	9.8
107.04951	2.9
107.08614	6.9
109.02871	3.8
109.06547	2.2
109.10170	12.0
109.69307	0.9
111.08081	2.6
111.11723	1.9
115.03914	1.9
117.07010	2.6
118.26037	1.0
119.08591	6.2
121.06507	4.5
121.10196	1.4
123.04447	1.0
123.08039	1.7
123.11718	5.4
125.13282	1.2
127.03936	1.6
131.08601	1.6
133.06462	1.0
133.10138	19.9
135.11713	1.7
137.13249	1.5
139.07593	1.4
143.08578	2.7
151.11169	6.9
161.09636	9.6
163.11234	2.1
171.08066	2.2
179.10698	4.8
189.09146	7.8
197.11736	2.9
207.10281	3.3
225.11217	12.4
239.23708	6.3
243.12361	2.7
249.33432	1.0
281.13852	3.4
283.15076	1.0
300.06262	1.1
519.36975	1.3
537.37891	100.0
538.38220	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	537.3272
Annotation	glas#24
Peak:m/z	Relative Intensity
55.05508	19.8
57.03432	3.8
57.07067	5.5
59.04989	3.4
61.02911	2.0
65.03905	2.0
67.05505	43.1
69.03432	12.9
69.07068	33.1
69.47882	15.1
70.06590	4.0
71.04981	11.6
71.08678	1.8
72.08165	3.1
79.05495	18.3
81.03416	3.4
81.07059	100.0
83.04987	8.0
83.08627	10.3
85.02909	11.8
85.06549	6.7
86.09716	4.3
89.40726	2.1
91.05470	16.0
93.07047	51.4
95.04980	14.0
95.08614	47.1
95.09226	1.9
97.02882	3.5
97.06551	10.5
97.10178	7.7
97.27417	1.8
98.97602	2.3
99.04410	2.9
99.08094	4.3
100.11254	8.6
105.07037	20.9
107.08602	38.1
109.06537	10.1
109.10158	68.8
111.04451	3.0
111.08091	8.7
111.11720	3.2
117.07059	2.3
119.08586	23.3
120.08136	5.0
121.06491	4.8
121.10151	52.5
123.08110	4.6
123.11707	53.3
125.09646	14.8
127.03939	2.9
127.11201	4.0
131.08586	8.2
133.10126	15.3
135.08070	5.0
135.11690	24.8
136.47672	1.9
137.05986	4.9
137.09624	8.1
137.13245	4.1
139.11221	9.5
141.12709	2.5
143.08571	2.4
145.10144	14.1
147.11687	13.1
149.09641	7.4
149.13239	9.1
151.11211	8.1
153.12772	6.3
155.08643	2.1
155.10722	3.6
157.10120	3.0
159.11696	9.4
161.09560	2.3
161.13268	7.4
163.11169	7.9
163.14841	6.1
165.12802	6.2
167.10696	5.3
169.10103	2.5
169.12164	3.4
169.50385	2.2
171.11780	2.5
173.13261	6.0
175.11249	3.8
175.14775	4.9
177.12741	4.7
177.16403	2.5
179.10674	2.5
181.12248	5.9
187.13312	7.1
187.14885	4.8
191.14301	2.9
193.15912	3.0
199.14862	2.7
201.16464	3.9
201.19051	2.0
209.15324	2.8
211.14839	2.6
212.94769	2.1
221.15355	2.8
228.16316	2.0
256.11960	2.1
257.22711	4.7
259.20621	4.2
267.21219	3.4
271.14301	9.2
273.22189	2.4
275.23752	8.3
277.21628	40.6
277.24313	1.4
285.22119	10.2
287.05624	2.6
291.23065	3.5
293.08575	2.2
303.23169	37.0
309.24219	8.1
321.24261	51.5
339.25031	12.0
357.26218	2.4
537.31854	3.6
537.40021	9.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.7
55.01863	5.8
55.05510	19.4
57.03440	3.0
59.04991	2.7
61.02919	2.6
65.03948	2.6
66.38395	2.1
67.05174	2.7
67.05505	36.7
69.03412	4.2
69.07064	15.9
69.96030	5.0
69.96463	7.8
71.04994	2.9
74.63094	2.1
79.05502	28.1
80.05016	6.9
81.03416	6.3
81.07057	69.2
83.04980	5.4
83.08601	12.1
84.04517	5.6
85.02890	4.8
85.06514	2.9
91.05477	25.0
93.06459	3.2
93.07034	27.4
95.04982	15.8
95.08600	20.8
96.04491	6.7
96.54158	2.2
97.01105	2.9
97.06516	5.1
97.10165	5.5
97.32819	2.3
105.07030	29.2
107.04946	10.4
107.08598	19.1
108.04479	13.7
109.06521	24.5
109.10158	14.6
110.06053	3.2
111.08070	6.0
112.02229	3.5
114.03713	2.6
116.01680	4.5
117.07024	7.8
119.08583	26.9
121.06487	6.6
121.10131	14.5
123.08080	8.6
123.11694	4.7
129.07016	4.7
131.08556	12.5
133.10124	19.5
135.08026	8.5
135.11707	6.6
136.03947	42.4
137.09579	3.0
139.05708	4.6
140.01631	4.3
142.03214	20.3
143.08569	3.4
145.10107	12.9
147.08006	3.4
147.11685	15.1
149.09595	8.3
149.13246	3.3
157.10092	4.5
159.11710	8.1
161.09648	3.8
161.13280	5.3
162.02339	2.9
163.03941	2.5
163.11180	7.8
163.14822	3.3
165.06630	4.6
165.12798	2.7
168.06178	2.1
170.02710	8.2
171.11682	2.8
183.11705	3.3
193.06097	40.1
193.12222	4.6
197.13310	2.3
211.07111	3.9
217.99858	2.1
223.13272	4.0
229.14388	2.6
229.19669	5.2
245.05931	6.7
247.20544	6.2
257.19031	10.8
275.20041	100.0
293.21097	22.9
299.06003	3.4
324.24265	2.5
333.18817	6.6
334.93997	2.2
416.22577	15.6
434.17923	2.1
434.23523	13.2
473.24915	2.7
501.23929	3.0
537.30261	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	536.3063
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57237	0.6
53.03931	0.9
55.01860	1.6
55.05513	7.6
56.39511	0.6
56.96570	0.9
57.03439	8.6
57.07074	0.9
59.05000	1.0
61.02942	1.6
67.05505	9.3
69.03427	4.6
69.07069	10.5
70.06598	1.7
71.01328	0.9
71.04993	64.1
71.59590	1.1
73.02920	3.1
75.04477	4.8
79.02063	0.7
79.05501	2.2
81.03411	2.8
81.07063	7.9
83.04983	26.4
83.08616	3.2
85.02905	100.0
86.09707	1.6
87.04465	2.7
91.05466	1.6
93.07041	6.5
95.04971	2.4
95.08607	20.8
97.02890	5.0
97.06508	1.1
97.10127	1.2
98.97629	1.0
99.04449	2.4
101.06023	1.4
103.03939	1.9
105.07024	4.1
107.08583	10.7
109.02855	1.7
109.06527	3.9
109.10155	33.8
111.04444	12.7
111.08062	2.3
119.07729	0.5
119.08572	15.1
119.09348	1.2
120.08122	0.9
121.10144	23.7
123.08057	10.8
123.11726	2.2
125.09603	0.9
127.03911	7.5
129.05481	54.7
131.08568	1.1
133.10138	8.0
135.08052	0.9
135.11693	37.1
137.06001	1.7
137.09615	39.9
139.11168	8.9
143.08629	0.9
145.04953	5.8
147.06522	29.6
147.07735	1.4
147.11687	2.5
149.13261	10.9
151.11136	0.9
151.14803	4.8
153.01825	1.4
163.06009	2.7
164.09221	1.8
165.07639	2.4
165.16423	0.8
166.00006	0.7
167.05569	0.8
173.13417	0.8
175.13321	0.8
175.14832	18.8
193.15883	52.8
194.16277	1.4
195.10255	1.0
195.94838	0.6
198.11023	1.1
199.14890	0.8
209.15320	0.8
227.14305	0.7
233.15297	0.8
235.16939	2.0
237.07680	2.3
243.08685	1.2
243.11330	0.8
255.08583	4.4
259.17197	0.7
268.10745	1.2
273.09720	8.5
277.17969	7.0
287.05521	6.1
288.05814	8.6
288.14108	2.2
299.06168	1.0
303.19577	2.7
303.22931	0.9
309.11789	10.2
320.23206	0.8
321.20566	5.3
321.23981	1.0
339.21881	1.7
355.21191	2.0
536.21515	5.3
536.34290	1.2
537.21222	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	536.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06873	0.8
55.01875	2.3
55.05511	5.5
58.99586	14.3
59.10592	0.9
63.15681	1.0
67.05511	7.1
69.03404	1.5
69.07070	2.4
69.92132	5.1
70.06593	2.5
71.05000	1.4
74.00665	2.1
76.02229	88.0
76.03985	4.4
79.05483	6.4
79.17751	1.0
80.05006	1.9
81.02974	1.7
81.03421	22.6
81.07060	8.6
83.04991	7.4
83.06113	1.0
83.08611	10.0
84.04504	22.5
85.02901	2.5
85.04037	4.5
85.06525	1.1
86.09708	1.8
86.99061	4.9
88.02228	1.6
91.05467	7.7
92.01707	1.0
93.07030	5.4
94.06590	1.2
95.04970	9.2
95.08607	3.2
97.01151	1.9
97.02914	1.5
97.06525	1.5
97.10176	1.1
98.21400	1.3
99.08140	0.9
105.07005	5.0
107.04961	2.2
107.08614	2.2
109.06556	1.1
109.10168	2.4
111.08069	4.3
113.03483	1.3
116.01678	21.7
119.08603	5.3
120.08115	2.6
121.10166	2.4
123.08051	1.4
123.11790	1.1
125.09704	1.1
129.06966	3.1
130.05011	16.1
131.04523	2.8
131.08560	2.9
133.10147	3.8
137.09705	1.0
141.04808	1.3
142.03229	7.6
144.01155	12.5
145.06111	1.6
145.10153	1.1
147.08066	1.3
147.11693	3.8
149.09648	3.3
154.08655	1.8
157.10164	4.1
162.02200	41.5
165.12810	1.2
170.02716	4.2
175.11203	6.8
177.03281	12.5
179.04865	81.0
181.06201	1.4
185.03822	1.9
187.05379	2.1
193.12253	17.2
207.13809	0.9
211.13295	35.2
215.04802	2.2
231.04457	1.9
233.05930	19.1
233.07970	0.7
245.05988	3.2
268.13681	2.0
286.14807	2.1
287.05426	1.1
288.06033	2.7
290.08249	1.1
291.06534	1.8
299.06070	1.1
308.09113	100.0
328.21280	0.9
330.13345	0.9
371.16394	1.8
500.20667	1.8
518.21600	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	535.2876
Annotation	Withangulatin C
Peak:m/z	Relative Intensity
55.05502	0.5
57.03429	0.3
57.18806	0.3
63.22546	0.2
67.05499	1.7
69.07043	0.4
69.82185	0.8
69.82597	0.7
72.05774	0.2
79.05486	1.0
81.03415	1.8
81.07054	1.9
83.04976	0.4
83.08601	0.6
85.02919	1.9
91.05463	1.3
93.07034	1.0
95.04966	1.1
95.08604	0.8
102.51231	0.3
105.07018	1.1
107.04971	0.4
107.08584	0.5
109.06535	0.4
109.10152	0.3
111.08075	0.6
119.08596	1.0
123.08055	0.3
129.06950	0.5
131.08566	0.4
133.10158	0.7
142.21358	0.2
145.10132	0.2
147.11729	1.0
149.40375	0.2
157.10202	0.7
167.60028	0.3
175.11230	0.5
184.07339	0.5
193.12302	0.9
197.82185	0.2
211.13380	0.4
251.12556	6.1
254.66617	0.3
269.12378	0.6
275.52753	0.2
285.17026	0.9
307.15146	5.2
371.14310	0.3
437.24997	0.4
512.05829	0.3
535.28766	100.0
536.29059	1.3
546.51007	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	535.1083
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
53.41436	0.1
55.05485	0.1
67.01866	0.4
67.05482	0.2
68.99771	0.3
69.03402	0.2
69.07027	0.1
69.84413	0.3
69.84816	0.1
76.92806	0.1
79.05463	0.2
81.03405	0.1
81.07073	0.3
83.04974	0.1
85.02905	0.3
85.06487	0.1
91.05440	0.1
93.06991	0.2
95.08602	0.3
97.06483	0.1
97.10159	0.1
99.04446	0.1
105.07005	0.1
107.04936	0.1
107.08540	0.2
109.02876	0.1
109.06524	0.1
109.10155	0.3
117.03365	0.2
119.08591	0.1
121.10117	0.1
123.08047	0.1
123.11661	0.1
125.09634	0.1
127.03858	0.2
129.01765	0.1
135.04416	1.3
137.02325	0.4
137.06013	0.1
137.09625	0.1
137.13161	0.1
138.22664	0.1
139.07422	0.1
153.01820	4.0
153.09111	0.1
161.02336	0.5
165.12701	0.1
171.02919	0.8
179.03381	0.2
195.57161	0.1
203.03377	0.1
213.05397	0.1
219.06422	0.1
231.06441	0.1
241.04903	0.5
263.05530	0.1
269.04398	0.5
270.05170	0.1
286.04901	0.1
287.05481	100.0
288.05814	0.5
301.21698	0.1
319.22675	0.2
325.23416	0.1
337.23718	0.3
355.24780	0.2
373.12860	0.1
449.10794	1.4
491.12210	0.1
517.09778	0.3
535.10791	3.9
535.23767	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	535.1084
Annotation	Kaempferol 3-(6''-malonylgalactoside)
Peak:m/z	Relative Intensity
52.63848	0.1
53.03923	0.2
55.01846	0.1
55.05494	0.2
56.96570	0.1
57.03408	0.2
65.57387	0.1
67.01871	0.5
67.05463	0.2
68.99762	0.5
69.03422	1.1
69.07059	0.1
70.71473	0.3
71.04957	0.3
79.05462	0.2
81.03425	0.9
81.07028	0.3
83.04947	0.2
85.02895	1.2
85.06499	0.1
86.09678	0.1
87.00795	0.3
87.04427	0.2
89.03856	0.3
91.05431	0.2
91.99832	0.1
93.07017	0.3
95.04938	0.4
95.08556	0.3
97.02894	1.5
99.04448	0.5
99.08105	0.1
101.44865	0.1
105.01825	0.3
105.06997	0.3
107.08559	0.4
107.99413	0.1
109.02885	0.6
109.06509	0.1
109.10116	0.3
117.03358	0.2
119.08503	0.2
121.10108	0.3
123.11708	0.2
127.03911	0.9
129.01840	0.1
133.10133	0.3
135.04407	1.6
135.11653	0.2
137.02289	0.4
137.05966	0.2
137.09550	0.1
145.04971	0.2
145.06651	0.1
146.49953	0.1
147.07947	0.1
153.01830	5.2
161.02306	0.5
167.06885	0.1
171.02896	1.0
171.04146	0.2
178.67262	0.1
179.03377	0.2
213.05444	0.2
219.06418	0.1
241.04927	0.5
245.04333	0.1
258.05167	0.2
259.05972	0.1
269.04434	0.4
271.05820	0.1
286.04654	0.6
287.05490	100.0
288.05811	0.5
297.03741	0.1
299.05298	0.1
329.06619	0.3
337.23776	0.1
395.42133	0.1
411.47876	0.1
445.70712	0.1
449.10825	2.5
491.11932	1.1
517.09863	0.6
519.21521	0.1
535.10828	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	533.2722
Annotation	Roridin A
Peak:m/z	Relative Intensity
50.41752	0.4
55.05500	0.5
57.03430	0.6
67.05502	2.1
69.93069	2.2
71.04988	0.5
79.05500	1.3
81.03410	1.6
81.07067	2.3
83.04975	0.9
83.08620	1.0
85.02896	0.5
91.05491	2.3
93.07046	1.5
95.04970	1.0
95.08598	0.8
97.06506	0.5
98.20766	0.5
100.16833	0.4
103.61945	0.3
105.07041	1.4
107.04979	0.7
107.08605	1.0
109.06542	0.5
109.10135	0.6
117.07024	0.6
119.08562	1.0
121.10144	0.9
123.08076	0.5
129.07048	0.8
135.11647	0.5
145.10114	0.7
147.11797	0.4
149.09517	0.4
151.82881	0.4
155.87141	0.4
157.10168	0.8
163.11215	0.9
193.12387	0.5
227.12859	0.5
249.08794	0.5
249.10942	2.7
251.12546	3.2
269.12323	1.1
285.17026	0.5
305.13565	2.2
307.15210	4.5
307.18869	0.6
326.98611	0.3
515.29968	0.4
533.27203	100.0
534.27570	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	533.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
54.49821	1.6
55.01878	4.7
55.05501	7.8
56.96572	2.9
57.03430	7.5
61.02926	12.4
67.05505	10.7
68.05869	2.2
68.21634	1.6
69.03438	29.5
69.06742	2.5
69.07064	14.3
69.25539	1.8
69.50177	7.1
69.50606	8.5
71.04993	7.8
72.08167	2.4
73.02895	2.7
73.78967	2.0
79.05492	7.7
81.03420	14.6
81.07047	18.7
83.04931	3.4
83.08622	3.0
85.02905	100.0
85.06528	2.5
86.09684	2.2
87.04465	4.3
91.03954	4.5
91.05483	4.2
93.07051	14.4
95.04957	10.9
95.08616	13.0
97.02896	38.2
97.06536	4.8
97.10181	2.1
98.21429	4.0
99.04453	7.2
105.07056	9.2
107.08614	10.1
109.02892	11.9
109.06528	6.4
109.10141	11.8
111.08101	1.9
115.03952	1.9
119.08601	11.9
120.08127	1.9
121.06494	5.7
121.10144	7.3
123.08077	20.1
123.11690	4.4
125.09686	2.1
127.03914	28.8
130.31602	1.8
131.08566	2.2
133.10155	7.7
135.08060	29.9
135.11699	9.6
136.12019	2.1
137.05986	3.4
137.09605	3.5
145.04964	41.4
145.10197	4.2
147.11667	5.1
149.09590	3.6
149.13242	2.2
155.11792	8.2
159.11699	2.3
161.09555	2.2
163.06029	8.0
163.11218	1.9
163.14793	2.9
165.09059	2.3
165.12752	21.6
171.06546	2.5
173.13177	3.2
175.14760	3.9
176.12006	2.9
177.00629	2.0
177.12659	2.5
189.07651	3.0
191.14316	93.6
193.15849	14.9
202.08702	1.8
203.17839	2.0
207.13779	4.2
209.15385	16.9
272.14581	1.8
335.18768	3.0
337.11987	2.2
353.19766	3.6
353.26920	3.2
371.11160	5.4
371.20813	9.7
461.54459	2.0
533.13751	3.1
533.25928	47.6
533.35681	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	533.2594
Annotation	Zizyvoside I
Peak:m/z	Relative Intensity
53.03912	1.1
53.74145	1.3
55.01874	1.7
55.05505	3.0
55.67221	1.0
56.96534	1.0
57.03436	7.6
57.07074	1.0
60.79459	0.9
61.02902	2.8
67.05496	4.6
68.50617	0.9
69.03423	8.0
69.07058	5.3
69.36916	0.9
69.68441	4.3
69.68847	2.6
70.06603	5.6
71.04990	38.9
72.08133	1.9
73.02911	2.6
74.06105	1.1
79.05494	2.3
81.03397	3.1
81.07041	4.5
83.04967	3.7
84.08130	1.4
85.02904	52.2
85.06502	1.8
86.09705	5.9
87.04465	1.6
91.05460	4.2
93.07041	5.7
95.04940	3.2
95.08605	44.8
97.02869	5.5
97.06507	1.6
99.02700	1.0
99.04448	2.6
105.07025	11.3
105.61417	0.9
107.04902	1.2
107.08601	5.5
109.02897	2.2
109.06499	2.9
109.10164	5.0
111.08083	3.3
117.06989	1.4
117.66621	1.0
119.04971	1.1
119.08581	21.1
121.06532	1.5
121.10148	10.9
123.08075	8.4
124.08889	1.2
125.09596	2.9
127.03911	3.8
129.05473	12.0
131.08560	1.8
133.06514	5.5
133.10141	12.9
135.08054	2.2
135.11688	38.3
137.05914	1.4
137.09598	7.4
137.13243	4.1
138.09142	1.2
143.08582	1.4
143.25690	1.1
145.04953	2.0
145.10115	2.3
147.06480	2.9
147.08090	5.1
147.09102	1.1
147.11685	19.1
149.09628	19.8
151.07562	5.4
151.11159	2.2
156.09370	1.2
159.08047	1.8
161.09685	2.1
161.13255	51.5
163.11179	1.6
165.12746	2.0
171.11681	4.6
173.13129	1.4
174.10370	3.5
175.11095	1.1
179.14322	8.6
189.12744	47.7
191.14227	1.6
200.96106	0.9
207.13802	100.0
208.14162	1.2
225.14796	9.8
243.08061	1.2
307.36856	1.0
335.22314	1.6
347.58163	1.1
371.15616	1.4
371.19995	2.5
387.20053	3.6
406.87888	1.0
533.19550	1.4
533.29248	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97587	0.4
55.05498	1.0
67.05495	1.2
69.03412	0.5
69.07066	1.7
71.59818	0.4
71.60258	0.7
73.02937	0.6
79.05482	0.8
81.03439	0.5
81.07068	1.4
83.04983	0.5
83.08582	0.5
83.72047	0.4
85.02900	1.0
85.06551	0.6
90.15820	0.5
91.05471	0.9
92.03691	0.4
92.63132	0.5
93.07036	1.3
95.04983	0.8
95.08631	0.9
97.02878	0.6
97.06525	0.4
105.07007	1.3
106.94837	0.4
107.08603	0.5
109.02866	0.6
109.06520	0.8
109.10167	0.6
119.08609	0.9
121.10139	0.8
123.11787	0.5
131.08527	0.5
133.10121	0.8
143.08650	0.5
145.10135	0.7
147.11618	0.6
149.91350	0.5
154.08658	0.4
158.59779	0.5
180.59499	0.5
185.02824	0.5
302.04282	1.0
312.14294	0.5
313.16196	2.7
317.08203	0.5
333.07928	0.7
335.09515	3.5
345.17413	0.5
391.66125	0.5
401.21530	0.9
445.20465	31.8
467.73785	0.5
471.16599	0.6
533.25659	100.0
534.26215	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83352	0.6
53.03953	1.6
55.01875	1.7
55.97943	0.8
56.96564	0.7
57.03432	1.5
57.07116	0.8
63.77934	0.8
67.05509	1.5
69.03426	2.7
69.07070	1.1
69.65977	0.7
69.80374	4.9
70.06570	3.3
71.05013	1.1
72.08147	1.3
74.06043	0.8
78.04707	2.1
79.05134	0.7
79.05499	6.8
81.03409	1.3
81.07040	2.2
84.08158	1.2
85.02914	6.9
86.09699	2.2
91.05477	3.7
93.07047	1.9
95.04973	2.3
95.08606	1.1
97.02882	2.1
98.20832	1.3
98.98692	0.8
103.05457	2.4
105.07037	7.3
106.04152	1.7
107.04955	11.1
107.08611	1.0
109.10129	1.0
115.05473	2.8
117.07007	1.6
118.04137	1.1
119.08556	2.2
120.08098	1.3
121.06497	1.7
123.04398	4.4
123.08074	1.2
124.05196	3.2
125.05992	2.9
127.03884	1.2
128.06163	1.5
129.06990	4.1
131.01926	0.8
131.04918	2.9
131.08539	1.1
132.05699	2.3
133.06485	4.2
133.10112	1.0
134.99623	0.9
135.50632	0.7
137.05971	2.4
145.04843	0.9
145.06442	2.4
145.10150	1.0
147.08075	2.3
149.05975	0.8
150.09200	1.1
151.03897	0.8
152.04674	1.3
153.05493	2.5
155.11795	0.9
156.05670	1.0
159.08026	5.3
160.05167	1.0
161.05997	8.0
167.07047	100.0
168.07332	0.9
171.07999	1.0
172.05127	2.2
173.05933	0.9
175.07561	18.4
177.05513	1.7
184.05147	1.2
187.07553	21.9
189.09082	1.8
191.07057	10.7
191.08600	1.4
199.07524	8.8
202.07637	2.0
203.08607	2.2
205.06404	0.9
205.08501	1.0
206.07454	1.2
207.08104	1.1
209.08087	2.2
215.08577	1.1
217.08635	0.8
218.07254	2.2
219.08083	2.0
221.09641	3.6
231.08128	1.7
233.09653	2.9
234.06714	2.6
235.07547	1.7
246.06718	1.1
247.07587	1.2
248.08209	1.1
249.09137	4.3
249.46986	0.8
250.10020	1.3
259.07632	1.5
260.08301	1.6
261.09155	4.5
263.07031	1.4
265.08322	0.9
266.09448	1.2
277.08691	3.2
278.09402	2.0
279.06613	1.0
279.10184	0.9
281.11743	8.4
287.05594	1.5
288.07834	0.9
289.08707	3.9
290.09360	1.5
291.10114	1.5
293.08411	0.8
293.11728	2.5
294.09009	1.3
306.08606	1.3
307.09552	1.1
307.15164	0.9
309.11255	7.7
310.11902	1.1
311.09125	0.9
321.11252	9.7
322.12039	1.2
326.11502	1.9
341.13837	23.1
347.04294	0.9
353.13821	12.7
353.24835	1.0
354.06149	2.0
371.08408	1.7
371.14954	2.1
371.26123	2.3
473.20346	1.2
490.37933	1.0
533.22113	1.2
533.29431	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	531.3683
Annotation	Holstinone A
Peak:m/z	Relative Intensity
53.03951	4.0
55.01859	5.1
55.05509	24.4
57.07074	5.2
65.03940	2.0
67.05502	61.4
69.03450	2.1
69.07065	19.7
69.64154	17.4
71.04988	5.9
71.53336	2.3
73.02956	1.8
75.55130	2.0
79.05497	49.0
81.03419	5.2
81.07062	51.3
82.64928	1.8
83.04995	4.1
83.08633	10.2
85.06557	3.7
90.15398	2.1
91.05484	42.8
93.07041	50.0
95.04955	5.2
95.08607	35.8
97.06547	4.8
97.10134	10.1
101.06066	2.2
105.07043	36.0
107.08597	30.6
109.10157	21.3
117.07016	16.4
119.08586	40.8
121.10143	16.8
123.08010	2.7
123.11678	2.5
125.09611	5.7
128.06200	4.0
129.06996	13.8
131.08565	35.4
133.10135	32.7
135.11696	22.7
141.07007	3.6
143.08562	21.8
145.10130	35.6
147.11700	22.7
149.09628	2.4
149.13260	6.8
151.11235	2.6
153.12914	2.5
155.08583	9.9
157.10139	20.9
159.11696	31.8
161.09628	3.1
161.13239	12.1
163.11266	3.0
169.10112	11.8
171.11693	21.6
173.13239	21.4
175.14804	8.3
181.10130	5.3
181.12297	4.2
183.11723	13.3
185.13223	19.3
187.13138	2.4
187.14828	9.0
189.12750	2.5
193.04980	2.0
195.11714	6.2
197.13237	10.5
199.14862	11.5
199.16414	2.3
207.11664	2.8
209.13260	3.5
211.14845	6.0
213.16417	3.6
221.13335	2.3
222.29144	2.2
223.14828	6.2
231.20897	3.1
237.16272	4.0
241.19527	11.4
253.14313	6.8
255.15869	19.2
259.20535	24.3
261.22250	3.0
269.19000	2.1
275.20053	2.8
285.22098	4.2
297.22180	2.3
313.21741	2.6
315.23196	3.0
327.23306	2.1
329.24591	3.9
333.24371	11.5
393.31686	3.2
396.38321	2.4
403.29935	6.8
409.31030	5.2
411.32620	6.7
421.31030	16.2
439.32104	18.9
457.33121	13.1
483.34744	2.6
485.36276	3.8
487.34341	2.9
495.34528	8.8
501.36050	6.9
503.37411	33.2
513.35742	100.0
531.36792	58.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	3.2
55.01880	4.1
55.05515	18.2
57.03435	5.5
57.07074	3.3
59.75768	2.2
65.84927	2.2
67.05505	79.7
69.03431	3.4
69.07074	16.8
71.04977	6.3
71.62254	3.3
71.62636	3.6
73.38184	2.7
79.05493	42.9
81.03426	6.7
81.06580	3.8
81.07058	74.1
83.04990	5.7
83.08637	7.7
85.06534	7.3
87.04469	5.4
87.89850	2.6
91.05487	48.7
93.07050	50.5
95.04971	8.3
95.08609	29.6
97.06516	4.6
97.10153	2.3
105.07032	50.2
107.08596	49.1
109.06526	6.0
109.10155	65.9
115.19279	2.9
117.07027	7.2
119.08607	16.0
121.10126	17.7
123.11717	8.9
131.08546	15.2
133.10130	84.3
135.11682	16.1
136.24716	2.1
145.10139	8.0
147.11705	8.0
149.13255	5.2
151.11179	43.0
157.10220	2.6
159.11699	6.0
161.13246	3.2
169.12260	9.3
173.13278	6.1
187.14911	4.8
188.95042	2.6
213.23410	2.5
215.12756	4.9
243.21127	6.1
253.14354	100.0
261.22217	21.8
317.25153	3.1
328.47333	2.8
355.34000	2.6
410.71786	2.7
439.32086	4.3
457.33533	5.5
513.35645	15.1
531.36755	82.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.2568
Annotation	Roridin D
Peak:m/z	Relative Intensity
55.05501	1.6
57.03418	1.3
67.05495	3.5
69.07053	1.1
71.59176	0.8
79.05490	2.6
81.07054	2.6
83.08624	1.7
86.09747	1.1
91.05477	3.0
93.07040	2.7
95.08598	1.3
105.07030	1.8
107.08598	2.0
107.96113	1.0
109.06486	1.0
109.10139	1.6
117.07008	2.0
119.08572	5.3
121.10146	1.2
123.08063	1.1
124.18358	0.9
131.08583	1.5
133.06459	1.8
133.10069	1.2
145.10080	1.2
162.97403	1.0
163.11229	1.9
235.60454	1.0
249.11009	5.3
283.15390	2.2
305.13531	7.9
439.73877	1.0
531.25610	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.1
55.01873	4.0
55.05513	21.0
57.03450	13.2
66.00716	2.4
67.05502	32.2
68.05759	3.2
69.03416	4.8
69.07078	9.5
69.71308	16.9
69.71734	3.6
69.71865	2.3
71.04987	9.4
79.05502	28.7
81.03416	75.8
81.07057	36.7
83.04985	24.1
83.08622	27.1
85.02905	33.2
91.05478	41.9
93.07047	19.5
95.04968	37.1
95.08584	15.1
97.02895	4.8
97.06509	6.8
97.10178	5.0
98.20818	4.1
98.59673	3.2
99.14043	2.9
105.07035	27.7
107.04960	8.8
107.08595	12.1
109.06514	7.8
109.10163	4.7
111.04492	3.1
111.08073	7.6
113.05986	3.4
117.07043	6.2
119.08581	24.1
121.06497	4.5
121.10148	10.4
123.08047	5.1
129.07010	10.2
131.08582	15.9
133.06438	3.6
133.10150	17.9
135.08047	4.6
137.20021	2.8
142.07785	5.8
143.08612	2.7
147.07993	3.9
147.11694	18.6
149.09630	8.4
151.11119	4.0
157.10167	17.1
159.11653	3.7
165.12749	5.3
175.11189	16.0
181.49001	3.9
193.12242	69.0
211.13290	83.1
211.15280	5.4
221.04677	3.4
267.15912	28.4
285.16965	100.0
350.16913	4.3
421.40219	3.3
447.69431	3.4
459.27341	10.3
477.28537	20.6
495.29599	69.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.7
55.01855	5.8
55.05503	20.2
57.03422	17.9
67.05504	35.5
69.03417	12.0
69.07072	7.4
70.78273	17.1
73.46364	4.7
73.50545	4.9
74.35098	5.6
79.05147	4.0
79.05489	35.2
81.03416	71.1
81.07066	34.2
83.04982	15.7
83.08620	22.1
85.02912	30.5
91.05463	35.0
93.07046	23.4
93.07551	5.2
95.04973	37.7
95.08619	15.7
97.02887	7.5
97.06517	10.9
99.08038	4.6
105.07042	27.3
107.08614	14.1
109.06501	7.5
109.10146	9.1
111.08092	12.9
117.07050	6.3
119.08585	19.8
121.06487	6.1
121.10160	12.2
129.07034	15.3
131.08572	15.2
133.10130	16.9
135.11736	5.3
145.10121	5.6
147.11687	14.2
149.09564	9.6
157.10136	20.3
175.11188	15.6
187.22287	5.4
188.69878	5.1
193.12250	71.7
211.13281	100.0
251.20937	4.8
267.15952	33.3
285.16977	93.0
293.05307	5.3
459.27283	16.3
477.28320	20.4
495.29410	45.4
530.27917	9.1
530.35608	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	530.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	2.0
56.05032	4.0
57.03418	0.3
57.05832	0.6
58.06592	0.6
59.56468	0.3
60.05645	4.3
67.60915	0.3
69.03433	0.5
69.07065	3.0
70.06591	17.7
71.59361	0.6
72.08154	22.5
73.99834	0.3
74.06078	29.5
75.05608	0.4
84.04508	1.4
84.08163	0.7
85.02909	0.5
86.09704	39.4
87.10054	0.4
91.05456	0.3
95.08612	0.5
97.02921	0.4
101.07145	3.3
109.06434	0.3
109.10177	0.4
110.09694	0.4
111.44380	0.3
112.08732	3.0
113.07178	0.8
114.09167	14.5
114.10287	0.7
115.08711	2.4
116.07089	5.5
116.07841	0.5
123.11713	0.3
124.03923	0.4
124.11221	0.4
130.09756	2.3
133.09843	0.5
138.09148	0.6
141.13863	0.4
142.08649	4.9
142.09731	0.4
142.12218	1.5
143.11806	2.5
156.11331	4.1
157.10832	0.5
158.09251	5.6
162.09192	0.4
169.13414	1.2
171.11365	0.7
175.11917	12.3
183.11305	0.9
183.14975	0.4
187.14413	15.5
197.12924	0.7
199.10817	0.6
207.84041	0.3
208.09773	0.6
213.15979	0.5
215.13850	2.3
225.12341	2.9
229.15498	0.4
243.13483	3.0
271.17599	2.5
280.05527	0.4
288.20303	0.7
310.21344	1.2
321.56552	0.3
330.20358	0.4
338.20688	0.5
356.21872	0.3
372.22400	1.5
486.30249	0.8
498.18677	0.6
512.32129	0.8
530.32983	100.0
531.33563	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	530.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	0.6
54.06435	0.5
67.05506	1.8
69.03412	1.0
69.07043	0.9
69.57928	3.2
69.58340	1.1
70.06576	1.6
72.08154	1.0
84.08160	0.6
85.02895	1.2
86.09720	3.7
91.05463	0.7
95.04976	0.7
95.31262	0.6
98.22113	0.6
110.05930	0.5
111.96717	0.6
118.06497	0.8
119.06291	0.6
121.02927	0.7
122.06062	0.7
134.85213	0.5
138.05499	6.8
140.07045	1.2
146.06004	12.4
164.03397	0.8
166.04991	5.7
174.05498	4.3
184.07393	0.6
206.08122	4.8
209.10732	1.5
211.08669	1.9
219.09181	1.2
221.10735	0.8
222.09399	0.8
223.08655	3.1
224.09320	0.7
225.10275	1.7
236.09395	1.0
237.10233	33.0
238.08763	1.0
238.11020	1.6
239.08217	3.8
239.11792	3.4
241.09615	0.9
247.08664	2.1
248.09480	1.5
249.10423	1.4
250.08984	3.2
251.08171	5.7
252.09004	1.7
253.09718	4.4
254.10600	0.9
255.11392	1.6
264.08902	1.3
265.09714	43.7
266.08078	1.2
266.10580	2.7
267.07748	2.9
267.11285	11.0
268.09442	0.7
269.09244	1.6
277.09781	1.4
279.07639	2.0
281.09229	4.4
283.10828	2.5
293.09189	30.9
294.09866	2.3
295.10779	11.7
296.09097	1.2
297.08615	0.6
299.10168	2.9
311.10251	37.9
312.11252	3.1
313.11816	9.2
321.08698	15.2
322.07047	0.8
325.11874	1.4
326.07581	0.6
339.09756	63.9
340.10370	2.3
353.11292	11.6
357.10587	1.1
371.12372	100.0
372.12509	1.1
374.92224	0.6
434.16943	0.8
452.18140	3.8
454.19757	1.5
462.16525	1.2
480.17651	57.7
494.19046	1.6
512.13409	1.0
512.20270	7.6
530.13568	1.0
530.21075	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	530.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.9
59.08176	0.5
61.01135	0.9
62.32937	0.6
67.05494	1.8
67.28757	0.5
69.07072	1.0
70.06584	4.6
70.60793	0.6
71.04997	0.7
71.20965	0.6
71.31119	1.1
72.08144	3.2
79.05498	0.8
81.07057	0.6
84.08135	2.2
85.02905	0.8
86.09700	2.7
93.07056	0.7
95.04975	0.9
99.01851	0.6
107.08556	0.8
118.06824	2.9
129.10251	1.9
130.06511	0.7
138.05524	5.7
139.09439	0.7
140.07091	1.4
144.08043	0.8
146.06001	18.3
157.13353	1.2
164.03430	0.7
166.04993	5.3
174.05469	4.8
192.06602	0.9
206.08119	6.3
219.09285	1.2
223.08665	1.5
224.09402	1.3
225.10152	0.9
236.09341	1.0
237.10223	23.1
238.08681	0.9
238.10895	1.2
239.08157	4.0
239.11752	3.3
241.09732	0.7
247.08789	1.5
248.09525	1.5
249.10268	1.4
250.08940	3.6
251.08189	5.1
252.08978	1.7
253.09709	3.6
254.10593	1.4
255.11362	2.2
265.09717	33.7
266.08020	1.5
266.10544	1.6
267.07654	3.4
267.11298	8.2
269.09192	1.5
270.18286	0.9
279.07700	1.4
280.08655	0.9
281.09222	5.0
282.10016	0.8
283.10831	2.3
283.15427	1.6
293.09210	24.0
294.09943	2.1
295.10751	10.4
299.10339	4.5
301.16479	1.0
311.10260	35.6
312.10944	2.7
313.11841	10.8
321.08713	11.6
325.11826	1.2
339.09763	46.2
340.07690	1.1
353.11325	13.5
354.11960	1.1
357.10812	1.3
371.12384	100.0
372.12598	2.5
452.18399	3.6
454.19656	2.7
480.17664	45.8
494.19104	1.5
512.20349	12.3
530.21332	1.3
530.30249	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	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
55.01870	1.8
55.05516	14.0
57.03436	2.7
57.07079	2.0
60.34446	1.2
60.80400	1.3
62.30432	1.5
65.03935	1.7
67.05508	42.7
69.07065	11.4
70.48156	5.5
71.04996	3.0
79.05497	30.9
81.03431	7.4
81.07060	41.3
83.04968	3.0
83.08631	9.7
83.28826	1.5
85.06532	2.2
91.05486	23.2
93.07048	34.8
95.04974	7.6
95.08607	22.3
97.06533	5.1
97.10196	3.1
105.04522	1.6
105.07048	15.2
107.05003	1.5
107.08598	17.9
109.10169	9.3
111.08112	3.2
117.07014	7.8
119.08587	12.3
121.06546	1.5
121.10140	13.0
123.11730	2.7
129.07069	1.7
131.08586	13.0
133.10146	10.9
134.47513	1.8
135.11710	8.5
141.07236	1.4
143.08583	4.6
145.10118	8.4
147.11696	5.5
149.13280	9.6
155.08621	1.7
157.10150	4.1
159.11699	9.7
161.13242	2.4
169.10139	1.8
171.11757	3.6
173.13303	5.5
177.12756	2.0
183.11758	2.5
193.12367	2.7
195.11891	2.2
195.13867	3.8
199.14851	1.9
213.16560	1.9
256.26456	2.0
261.22256	1.7
317.24869	2.6
437.34381	4.6
455.35245	3.5
473.36172	1.9
511.37946	3.4
529.38922	100.0
530.38892	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	529.3889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.9
55.01851	2.4
55.05507	14.4
57.03440	2.1
57.07068	4.4
64.03339	2.0
67.05171	3.0
67.05504	43.2
69.07069	13.5
69.81187	12.1
70.96017	1.7
71.04972	3.7
71.50747	1.9
72.03201	1.8
72.16969	1.7
79.05486	30.9
81.03414	11.7
81.07057	42.1
83.04978	4.6
83.08621	9.4
85.06571	1.9
88.36140	1.8
91.05475	25.0
93.07035	29.5
95.04965	7.8
95.08604	29.0
97.06549	4.3
97.10198	2.5
99.08098	3.3
99.24435	2.1
101.85579	1.8
105.07034	19.9
107.08595	17.5
109.06503	1.9
109.10152	7.1
111.08087	2.8
117.07017	9.5
119.08595	12.6
121.10104	9.2
123.11664	2.0
129.07040	4.9
131.08543	16.7
133.10109	11.9
133.63515	1.9
135.11710	7.6
137.09650	2.2
143.08580	7.1
145.10110	13.1
147.11700	6.9
149.13297	6.2
155.08574	3.5
157.10120	6.3
159.11720	7.8
161.13315	2.9
169.10085	3.5
170.89241	1.8
171.11716	7.2
173.13298	6.5
179.14227	1.9
183.11729	3.2
185.13214	5.3
193.12260	4.6
197.13312	2.9
204.81427	1.9
227.18143	1.9
239.82849	1.9
256.26395	10.7
317.24893	2.8
419.33191	2.5
437.34201	8.6
455.35297	3.0
511.37573	4.9
529.38898	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	529.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.0
55.01880	1.9
55.05513	11.3
57.03432	2.4
57.07078	3.1
65.03983	1.3
66.36585	1.4
67.05507	40.9
67.88581	1.6
69.07071	12.8
71.04995	2.9
79.05495	31.2
81.03423	5.5
81.07059	44.0
83.04997	2.3
83.08636	11.4
85.06554	1.9
87.04468	11.6
90.38259	1.2
91.05481	21.7
93.07044	34.9
95.04973	4.8
95.08609	22.7
97.06554	3.8
97.10159	3.6
98.20765	1.9
105.07044	15.4
107.08595	17.9
109.06524	2.1
109.10165	8.5
111.08084	3.7
113.88628	1.3
117.07018	9.9
119.08589	11.7
120.33968	1.2
121.10144	13.5
123.11708	2.5
129.07011	4.0
131.08554	12.4
133.10109	9.9
135.11673	7.4
141.02266	1.3
143.08591	4.4
145.10133	10.1
147.11700	4.2
149.13271	10.2
157.10184	4.6
159.11682	9.6
161.13278	4.0
164.23170	1.4
171.11774	3.3
173.13356	4.1
175.14876	1.5
183.11543	1.4
185.13260	3.4
187.14861	2.6
193.12274	1.9
195.13864	4.1
199.14835	1.7
225.16679	1.6
261.22247	2.3
275.20117	1.6
332.04852	1.6
419.33105	2.7
435.09280	1.4
437.34180	4.2
455.35190	2.3
465.82968	1.4
511.37003	1.8
529.38965	100.0
530.37823	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	529.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76590	1.8
53.03948	3.1
55.05513	10.8
57.03455	2.2
57.07063	3.3
57.88749	1.9
67.05503	37.5
69.07060	13.2
69.51319	3.2
69.51724	15.5
75.45831	2.1
75.59410	2.4
76.47642	2.1
79.05499	26.4
81.03422	22.2
81.07056	39.4
83.08637	11.2
91.05483	18.8
92.27945	2.1
93.07053	28.1
95.04945	11.2
95.08604	28.5
97.06524	3.2
97.41917	1.9
105.07049	15.3
107.08614	13.6
109.06560	2.6
109.10161	10.4
111.08086	2.2
117.07056	5.2
119.08567	10.5
121.10143	11.5
123.11708	4.6
129.07036	7.5
131.08565	11.5
133.06567	2.5
133.10121	7.7
135.11682	8.8
137.09634	2.5
142.07793	2.3
143.08536	3.5
145.10139	7.8
147.11705	5.0
149.13254	6.0
157.10098	4.5
159.11716	6.8
161.13249	3.3
169.10194	2.6
171.11807	2.4
173.13297	4.7
181.10228	2.7
183.11786	2.4
185.13353	3.0
193.12292	7.8
195.13843	4.2
208.02975	2.1
256.26483	2.1
380.74420	2.0
437.34348	5.7
455.35150	2.2
529.38849	100.0
529.79535	2.3
530.38654	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	529.389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.9
65.05919	3.2
67.05507	40.3
69.07057	9.9
71.59266	3.1
77.43490	3.1
79.05482	23.1
81.03413	12.1
81.07057	33.1
83.04955	3.6
83.08608	7.4
91.05502	15.9
93.07042	32.1
95.08620	26.4
97.06532	6.6
99.56363	3.0
105.07021	14.7
107.08585	15.5
109.10165	9.6
117.07022	7.7
119.08572	12.6
121.10128	12.6
123.11719	4.1
129.07002	4.5
131.08569	11.7
133.10071	10.1
135.11684	9.1
143.08603	4.6
145.10167	6.9
147.11694	6.5
149.13258	6.8
159.11682	9.4
171.11635	5.6
173.13342	3.7
177.12679	3.5
190.13315	3.0
193.12294	7.0
217.92207	3.3
221.16475	3.9
310.02689	3.2
437.33957	6.9
529.38959	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	529.3887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.7
55.01860	1.1
55.05510	11.2
57.03426	2.2
57.07064	2.5
59.16792	1.1
65.03928	2.0
67.05500	33.0
69.03442	1.3
69.07063	11.9
71.04989	1.9
71.08607	0.8
75.32825	0.9
79.05489	21.5
81.03408	2.1
81.07055	35.4
83.04962	1.7
83.08615	5.5
89.43125	0.9
91.05479	21.1
93.07041	27.7
95.04971	6.3
95.08603	19.7
97.06523	3.2
97.10168	1.9
98.20703	2.1
99.08107	0.9
105.04501	1.3
105.07028	13.3
107.08589	17.2
109.06543	2.0
109.10135	6.6
111.08039	1.9
117.07008	7.4
119.08573	12.3
121.10135	9.2
123.11749	1.3
129.06973	4.7
131.08548	16.2
133.10124	9.1
135.08046	1.4
135.11653	5.5
143.08527	6.6
145.10130	10.6
147.11664	5.0
149.13251	5.2
155.08575	2.8
157.10150	5.9
158.26613	0.9
159.11693	9.7
161.13260	3.4
161.57642	0.8
163.14894	1.0
169.10153	3.0
171.11716	3.7
173.13261	3.5
177.12791	2.4
181.10165	1.2
183.11742	2.6
185.13251	4.0
187.14862	2.6
193.12245	1.1
195.11813	1.4
195.13835	2.7
197.13300	2.6
199.14862	2.5
201.16394	1.2
209.13249	1.3
211.14871	2.5
213.12929	1.0
213.16420	2.2
225.16566	1.0
243.21034	1.3
261.22083	1.3
263.94095	1.0
313.25089	1.1
317.24863	1.2
339.26697	1.3
382.05682	1.0
419.33176	2.4
437.33994	8.5
455.35205	3.7
473.36624	1.9
493.36942	1.2
511.37860	3.8
529.38892	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	529.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08123	1.4
52.78476	1.4
55.01851	4.3
55.05517	10.3
56.03857	1.6
57.03428	6.9
61.02913	5.7
64.68294	1.5
67.05502	18.0
69.03428	3.5
69.07068	9.7
71.04990	1.9
71.13076	2.9
73.02895	2.0
79.05489	16.5
81.03415	6.6
81.07054	22.3
83.04984	4.5
83.08640	4.3
85.02910	5.2
85.06528	2.6
91.03941	2.8
91.05476	15.4
93.07050	21.9
95.04962	8.1
95.08619	15.3
97.02888	4.9
97.06531	4.8
97.10151	5.3
98.97582	2.2
105.07030	19.7
107.04954	5.4
107.08603	13.1
109.06508	5.2
109.10163	10.4
111.08048	1.9
115.15794	1.5
117.07030	4.1
119.08578	12.9
120.14196	1.5
121.06499	7.0
121.10146	10.3
123.08051	3.6
123.11715	1.9
125.09656	2.3
127.03891	2.6
128.97798	1.7
129.05460	2.1
129.07071	2.2
131.08568	11.9
133.06508	2.4
133.10153	11.8
135.08026	3.8
135.11693	4.9
143.08534	2.7
145.10139	10.3
147.08063	3.0
147.11705	9.5
149.09608	4.8
149.13283	2.6
151.11093	2.8
157.10150	1.8
157.45992	1.8
159.08047	3.7
159.11726	4.0
161.09656	3.7
162.69560	1.7
163.11188	7.0
165.09227	1.9
165.12930	1.6
171.11609	2.6
173.09673	2.6
173.13260	3.8
175.11217	1.8
177.12833	2.9
187.11127	1.6
187.14711	2.0
191.14336	1.8
193.12195	2.6
201.12709	2.0
219.13829	1.8
239.17964	3.2
255.08932	2.2
257.19052	5.1
267.09064	2.7
271.06119	4.4
273.10156	4.2
275.20053	42.5
285.10077	4.7
293.20987	10.4
333.14661	5.3
349.23721	100.0
350.23560	2.9
358.16428	8.4
358.66537	2.0
367.24670	4.7
420.84723	1.6
462.74625	1.8
494.28204	1.9
502.87350	1.7
529.27148	3.1
529.34430	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	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85836	4.7
55.01868	9.3
55.05515	26.8
57.03430	22.6
64.18109	5.3
67.05508	58.9
69.03441	15.6
69.07084	18.4
71.04987	9.4
71.33961	14.6
79.05495	46.5
79.73599	4.4
81.03422	61.0
81.03867	7.3
81.07063	53.8
83.04994	20.1
83.08635	21.7
85.02923	35.3
86.99741	4.9
91.05483	50.0
93.07049	46.0
95.04970	26.9
95.08622	39.9
97.02917	13.4
97.06516	10.7
97.10159	4.8
105.07036	32.5
107.04967	19.4
107.08581	27.6
109.06599	6.2
109.10148	9.3
111.08099	10.1
115.05416	6.1
117.07026	14.4
119.08565	28.9
121.10133	26.0
123.08062	5.9
129.06987	8.3
131.08600	11.5
133.06525	6.5
133.10141	22.4
135.11667	42.3
143.08545	5.6
145.10139	31.1
147.08104	6.1
147.11626	24.0
147.56111	4.9
149.09615	7.9
157.10161	9.5
160.42589	4.8
163.11179	54.3
175.11212	15.8
177.57013	5.0
181.12187	10.9
193.12207	51.2
202.13704	5.2
211.13292	63.5
212.16451	8.2
227.12770	77.5
245.71310	4.7
254.47586	5.7
267.15860	30.7
283.15399	84.4
285.16977	100.0
342.52463	4.9
357.22830	5.2
475.27017	30.0
493.27969	98.1
494.04318	5.3
528.27826	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	528.3167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.3
53.03938	2.9
54.49552	1.5
55.01873	9.3
55.05511	25.8
57.03435	20.8
57.07075	1.4
59.04989	2.9
61.09750	1.3
62.35545	1.2
64.45303	1.4
65.03947	1.6
67.05506	27.4
69.03420	3.3
69.07063	8.3
71.04984	8.1
71.40500	3.1
79.05064	2.0
79.05495	34.4
80.73606	1.3
81.03417	62.1
81.07053	30.7
82.31612	1.2
83.01334	7.7
83.04984	24.0
83.08619	25.4
85.02904	17.7
85.06528	2.4
86.62234	1.2
87.04547	1.4
91.05482	33.8
93.07043	29.2
95.04971	25.3
95.08614	12.8
97.02880	4.8
97.06558	6.9
97.10147	4.2
99.04443	1.9
105.07027	22.6
107.04966	13.5
107.08596	16.1
109.06519	8.2
109.10160	4.0
109.71820	1.4
111.04441	3.8
111.08069	8.1
113.06013	3.1
115.05443	1.7
117.07005	8.4
117.83097	1.2
119.08595	18.9
121.06514	2.5
121.10149	13.4
123.08085	11.4
125.05960	1.5
125.09628	1.4
129.07005	10.8
131.08580	12.9
133.06512	2.7
133.10136	9.8
135.08052	2.5
135.11714	9.7
137.09618	3.3
142.07819	2.7
145.10126	13.5
147.08044	3.2
147.11691	12.9
149.09604	4.9
153.12729	1.9
157.10144	11.1
163.11201	21.6
165.12730	2.1
173.09573	4.1
175.11206	11.0
181.12265	2.5
184.72208	1.3
191.10623	1.6
193.12259	44.7
203.88295	1.3
209.11751	8.0
211.13292	74.2
227.12840	5.5
239.64792	1.3
267.15927	16.5
283.15396	100.0
285.16977	65.3
383.22150	3.4
432.05670	1.5
475.26962	16.3
493.27963	94.8
494.27911	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	528.3168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44383	0.8
55.01873	0.9
55.05520	6.6
56.05042	0.8
56.96547	1.2
57.03427	2.3
60.17543	0.7
62.06068	2.1
67.05508	12.1
67.17199	0.6
68.05833	1.3
69.07063	5.9
70.06584	1.9
71.04993	2.1
71.07370	0.7
71.08630	3.6
71.61076	1.4
72.08138	3.0
79.05482	4.7
79.07506	0.7
79.65298	0.8
81.03410	4.3
81.07057	16.8
83.04987	1.7
83.08612	3.3
84.08134	2.8
85.02920	1.2
85.06535	2.0
85.60611	0.7
86.06065	16.5
91.05478	2.6
93.07047	4.1
95.04942	1.5
95.08615	13.5
96.08136	4.8
96.08717	0.6
97.02879	1.2
97.06533	2.5
97.10142	1.7
98.06052	1.7
98.09694	9.4
99.04475	0.8
99.08091	2.2
105.07014	3.1
107.04933	0.8
107.08611	2.5
108.08110	3.2
109.10188	2.0
110.09667	0.9
114.09145	1.0
116.10732	55.6
117.49156	0.8
119.08591	2.1
121.10139	2.0
122.09655	3.8
123.08040	1.3
123.11731	1.5
124.07587	1.4
131.08559	1.3
133.10156	1.6
135.11717	1.2
136.11182	1.0
139.09915	0.8
140.10725	1.2
142.08673	0.7
143.10666	10.3
145.10196	1.2
147.07922	0.7
147.11667	2.8
147.14668	0.8
154.15904	0.9
163.11201	1.8
165.12790	1.9
166.15953	1.3
175.11214	1.0
183.13721	1.2
193.12433	0.7
196.17018	2.3
211.16864	0.8
214.18027	34.8
227.16306	1.8
234.22173	0.9
238.21584	3.5
250.21745	2.3
252.23175	1.2
262.21722	2.5
264.23254	2.6
267.08987	1.1
267.15982	1.2
269.10629	1.0
272.06409	0.8
280.22714	10.1
282.24274	15.3
283.15405	3.2
285.10181	1.1
296.15845	0.8
298.23767	58.9
326.23215	2.0
344.24271	5.2
380.31522	2.5
386.25360	7.6
396.30966	4.7
412.23193	3.4
430.24368	100.0
431.24631	1.6
442.31677	1.6
442.38577	0.7
475.27005	2.5
482.63934	0.9
484.32669	4.0
493.28061	2.0
505.13953	0.8
510.30887	1.4
528.31769	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
53.89864	0.7
55.01874	3.2
55.05508	7.0
57.03438	7.3
57.07079	12.4
59.04999	3.6
61.02919	4.8
67.05496	2.6
69.03430	13.6
69.07068	48.4
70.06583	1.0
70.20148	3.1
71.01344	2.4
71.04988	5.8
71.08635	9.8
71.71969	0.8
73.02919	24.4
73.06557	10.4
77.48404	0.8
79.05477	2.8
81.03419	3.8
81.07060	3.1
83.05021	0.8
83.08616	3.1
85.02904	27.9
85.10193	4.3
87.04479	1.9
89.06030	28.7
89.06564	1.7
91.03982	0.9
91.05475	1.6
93.07066	1.3
95.04987	1.7
97.02891	16.0
97.06522	4.2
97.10181	1.2
99.04468	1.6
99.11738	1.1
103.03970	0.8
105.07036	1.6
105.12617	0.7
107.08558	1.0
109.02867	1.9
109.10155	1.7
111.11719	81.4
115.03932	7.8
119.08544	1.5
121.10124	1.4
123.11687	1.0
127.03925	6.1
129.12753	100.0
130.13138	0.8
131.08582	0.9
133.04970	8.6
135.11682	0.9
145.04951	8.1
149.09546	0.9
151.03978	1.0
163.06021	2.4
170.15388	2.1
171.04880	0.8
173.09807	0.9
183.11632	0.8
199.16925	24.9
207.33887	0.8
217.17986	38.6
223.05998	1.3
241.07069	2.3
259.08316	1.7
295.10214	1.0
299.74054	0.8
323.55069	0.9
455.42856	0.9
487.12653	1.0
513.29315	1.0
536.31165	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	528.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.1
56.96569	0.8
63.92348	0.8
67.05503	1.9
69.03438	1.2
69.07058	2.9
69.27568	9.1
69.27982	1.8
70.06593	1.3
71.05003	2.1
72.08156	1.4
79.05522	1.5
81.03413	1.3
81.07059	5.2
83.08639	0.8
85.02902	2.0
85.06564	0.8
86.06050	1.0
86.09715	1.8
91.05480	1.9
93.07049	2.5
95.04987	2.0
95.08597	2.2
97.02912	1.0
97.06525	3.0
99.08083	1.6
105.07057	1.3
107.08598	2.9
109.10179	1.9
119.08593	2.2
121.06480	1.4
121.10171	1.9
123.11712	1.0
124.07614	2.2
133.10078	1.0
135.11642	0.9
138.05501	3.5
140.83882	0.8
146.06070	1.2
152.07077	0.8
166.05046	3.3
174.05524	1.8
190.08682	2.7
209.10805	1.2
211.08601	1.4
212.16498	3.1
215.08249	1.0
215.43663	0.8
219.09283	2.2
222.07875	1.7
223.08710	2.9
225.10336	1.3
236.09311	1.0
237.10219	29.9
239.08115	4.1
239.11861	2.5
240.08891	1.1
247.08669	1.3
248.09418	2.1
250.08693	1.0
251.08136	5.6
252.09203	1.3
253.09718	2.7
255.11365	2.4
264.09131	1.3
265.09729	38.6
266.10529	3.3
267.07739	2.6
267.11319	8.0
268.11755	1.1
269.09232	1.2
272.06403	1.7
279.07672	2.3
281.09308	4.7
283.10858	2.8
293.09204	26.3
293.12360	1.7
294.10052	2.5
295.10754	8.1
297.08710	1.4
299.10281	3.8
311.10251	34.7
312.11017	2.0
313.11841	2.1
321.08704	14.0
339.09674	49.8
340.10721	1.8
343.13095	0.9
352.30994	0.8
353.11349	9.1
371.12390	100.0
372.12976	2.6
415.42233	1.0
418.17627	1.2
436.18927	5.0
464.18222	55.5
496.20819	11.8
528.25684	4.5
533.75568	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	528.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50894	1.2
55.01873	2.6
55.05492	2.5
61.12136	1.3
62.23098	1.2
67.05495	2.2
68.05017	2.7
69.03423	1.4
69.07047	2.9
69.59042	5.9
69.59466	5.0
70.06583	1.8
74.06068	3.3
77.91494	1.2
79.05471	4.5
81.07039	5.3
83.04959	1.4
85.02915	1.8
85.87806	1.4
86.06081	6.3
90.85779	1.2
91.05466	3.8
93.07039	2.6
95.04967	2.1
95.08593	2.3
96.08121	5.0
97.02865	1.6
97.06516	2.7
98.21494	1.7
105.07013	2.6
106.06529	2.1
107.08608	2.0
108.04480	1.6
108.08094	1.9
110.06039	4.7
119.08548	2.5
122.09670	9.8
124.07588	51.6
125.08381	3.1
126.09146	34.5
129.39862	1.4
133.10129	1.5
134.99498	1.2
136.11234	1.9
138.05519	1.7
138.09094	3.8
140.10648	1.4
142.08595	1.7
143.21135	1.4
145.07597	2.9
146.05978	2.1
146.09715	1.7
147.08011	2.1
148.07532	1.4
150.09164	3.6
156.06602	1.7
156.08090	2.5
157.07605	1.6
158.08377	4.3
158.11810	2.9
159.05455	1.4
160.07579	3.0
162.09070	1.8
164.10712	16.0
171.05518	2.0
171.09209	6.1
173.07098	3.5
173.10748	1.9
174.09120	6.3
175.08630	2.6
176.10750	4.2
183.09158	1.7
184.07571	3.6
185.07085	4.2
186.05519	1.5
186.07874	5.0
186.09329	1.6
187.08685	4.4
188.07079	1.9
189.06590	3.3
189.10252	2.0
190.08540	1.8
192.10193	30.2
194.04411	1.6
199.08676	13.5
200.07156	2.3
200.09392	4.6
201.06606	11.8
201.10208	4.5
202.07292	2.2
203.08105	4.5
203.11790	1.7
211.08543	2.6
212.07196	1.6
212.09280	1.6
212.16451	20.1
213.06549	4.6
213.10277	3.8
215.04558	2.5
215.08109	6.1
217.06038	2.5
217.09724	9.9
218.08005	1.9
226.10764	1.4
227.08144	10.6
228.08850	2.7
229.06181	6.5
229.09683	7.8
230.06866	3.9
231.07634	4.6
231.11263	6.1
232.06075	1.6
233.09064	1.9
238.07431	1.7
239.08105	3.0
241.06068	5.0
241.09726	9.1
243.05359	1.6
243.07457	6.6
243.11270	1.8
245.09265	12.0
253.09676	1.6
255.07614	18.2
256.08401	14.3
257.05627	7.3
257.09216	87.8
258.09787	1.9
259.07172	4.9
259.10721	4.9
261.08694	2.9
267.07678	3.3
269.09186	8.4
271.07239	3.6
271.10623	2.9
272.08023	3.0
273.08667	27.3
274.09341	4.6
274.16312	1.8
275.06622	1.9
283.07138	28.0
284.07745	4.9
285.08688	42.5
286.09418	11.9
287.07147	2.3
287.10229	41.6
289.08136	2.7
291.10391	1.5
297.08701	11.5
298.09518	2.8
299.10275	12.3
301.08182	26.5
301.11566	2.3
302.09058	2.2
303.09705	8.9
305.07678	4.4
311.06595	1.9
315.09714	19.4
325.08243	6.5
327.09848	9.1
328.10468	2.1
329.07614	17.7
329.11292	15.5
343.09250	13.1
351.13394	24.6
360.16641	2.3
361.02289	2.0
380.15927	2.8
381.14700	2.1
394.17725	3.7
404.15881	1.7
422.17056	11.1
423.11719	8.2
424.18759	10.2
426.20428	1.9
432.15479	2.0
434.17029	2.6
440.17981	4.5
450.16595	20.4
452.18137	75.4
454.19775	47.4
468.17648	16.8
478.16177	12.0
482.19147	31.2
496.17130	100.0
510.11829	2.4
510.18698	33.3
514.18213	19.5
528.19568	9.7
528.27661	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	527.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85510	1.7
53.03939	2.1
55.01863	3.2
55.05514	14.0
57.03427	4.9
57.07088	2.4
65.03931	2.4
67.05508	38.0
69.07071	7.7
69.66648	1.5
71.04987	1.8
71.61820	2.0
72.31280	1.6
79.05488	14.6
79.70276	1.7
81.03437	8.4
81.07063	26.2
83.04984	2.3
83.08611	8.8
85.02899	1.9
85.06565	2.3
91.05486	19.2
93.07045	19.6
95.04973	6.9
95.08606	16.1
97.06532	2.9
97.10168	5.3
105.07044	16.7
106.62613	1.4
107.08598	12.7
109.06567	2.0
109.10151	18.9
110.91714	1.3
111.08146	1.8
117.07021	9.9
119.08594	16.3
121.10163	6.7
125.09595	2.8
128.06238	2.8
129.07018	7.3
131.08562	13.0
133.10129	9.6
135.11705	3.6
137.13382	1.5
141.06996	4.9
143.08578	10.6
145.10112	15.3
147.11726	5.5
149.13293	2.8
155.08540	7.9
157.10164	10.7
159.11694	10.3
163.11212	2.2
167.08524	2.1
169.10158	11.4
171.11710	9.3
173.11853	2.8
173.13322	5.1
178.07678	1.5
181.10159	4.0
183.11708	10.7
185.13240	8.9
187.14758	2.0
193.10202	2.0
193.12228	2.9
195.11659	4.3
197.13327	5.6
199.14818	4.2
209.13258	4.5
211.14897	3.3
223.14827	2.3
237.16708	2.5
271.06012	6.6
323.23770	2.4
383.24350	6.0
417.31534	5.1
435.32748	11.7
453.33713	6.6
491.34500	2.0
509.36334	8.1
527.28992	7.5
527.37335	100.0
551.18280	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	527.049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	0.2
64.95662	0.1
66.20013	0.1
67.01872	0.3
68.64726	0.1
68.66732	0.1
68.99793	0.2
69.07068	0.1
70.06574	0.2
70.84506	0.2
70.84881	0.3
71.75307	0.2
73.56772	0.1
73.80526	0.1
74.37161	0.1
79.05488	0.1
79.77953	0.1
81.07033	0.2
85.02878	0.3
86.09702	0.2
90.34026	0.1
91.05463	0.4
93.07013	0.2
95.08609	0.2
105.07011	0.2
107.08581	0.2
119.04933	1.5
121.02878	0.5
129.01813	0.2
137.05984	0.1
145.02785	0.6
153.01813	3.9
163.03917	0.4
168.39494	0.1
169.09288	0.1
171.02879	0.7
180.07143	0.2
225.05418	0.3
229.04976	0.3
243.06673	0.3
243.08806	0.2
247.06006	0.3
252.09332	0.4
271.05994	100.0
272.06317	1.4
333.11877	1.0
354.11670	0.1
447.09158	2.4
453.34238	0.2
495.19330	0.2
508.00238	0.1
527.04901	2.4
527.24493	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07540	3.1
55.01873	8.4
55.05506	19.1
57.03433	15.1
59.04979	4.2
66.80638	3.0
67.05518	18.8
69.07062	10.6
71.01360	3.8
71.59523	4.5
76.72523	3.5
79.05495	26.6
81.03408	12.4
81.07063	27.3
83.01347	8.9
83.04981	11.2
83.08625	15.0
83.16409	3.7
85.02908	9.0
88.84947	3.0
91.05486	12.3
93.07040	23.0
95.04958	9.8
95.08601	9.1
97.02923	5.3
97.06533	3.6
98.09702	7.3
99.04498	5.2
99.57426	3.2
105.07014	11.3
107.04941	6.9
107.08601	9.8
109.06561	6.1
109.10150	8.0
117.07004	7.4
119.08586	14.4
121.10129	9.5
123.08103	7.9
131.08559	6.2
133.10130	5.0
135.11713	13.4
142.12271	7.3
143.08574	4.0
145.10147	20.9
163.11234	23.1
181.12210	5.4
188.11597	3.5
209.11711	7.1
210.18604	17.0
212.16504	11.4
226.18083	31.0
227.12744	5.4
271.05930	5.8
272.18695	4.9
283.15408	100.0
358.18726	9.5
403.40472	3.5
452.05530	3.8
491.26324	34.8
506.39075	4.1
526.36548	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	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01857	3.5
55.05512	9.7
56.71690	1.1
57.03442	6.0
59.05002	1.7
67.05505	11.3
69.03388	1.1
69.07057	4.0
70.59299	3.3
71.04970	1.4
74.69274	1.2
79.05484	19.2
81.03416	7.8
81.07060	12.7
83.01334	4.2
83.04974	6.8
83.08635	7.0
85.02917	1.9
87.43469	1.1
91.05482	10.3
93.07041	24.0
95.04959	4.4
95.08601	13.9
97.02890	2.3
97.06538	2.4
97.10177	2.4
99.04450	2.2
105.07024	7.6
107.04933	9.4
107.08587	13.6
109.06503	5.5
109.10104	2.6
111.04414	2.6
116.06148	1.4
117.06998	6.1
119.08598	10.1
121.06495	3.6
121.10112	8.8
123.08051	4.7
125.06023	2.1
129.07013	1.4
131.08556	3.0
133.10106	2.9
135.11696	25.3
145.06494	1.4
145.10115	18.2
153.12735	1.2
153.74026	1.1
157.10106	1.4
162.67035	1.1
163.11169	36.1
173.09654	2.4
180.71461	1.2
181.12163	7.0
184.17995	1.3
191.10571	1.3
209.11743	3.4
227.12781	37.1
253.94305	1.1
267.16019	3.0
271.05981	3.4
283.15387	100.0
469.04919	1.3
491.26382	57.7
508.34805	1.4
526.36169	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	526.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75005	0.5
55.01854	1.1
55.05507	7.2
56.05821	0.5
57.03408	1.0
57.07051	1.0
62.37556	0.5
67.05499	6.5
69.03416	1.0
69.06733	0.5
69.07068	10.0
69.60734	4.4
70.06577	0.7
71.04971	0.7
72.08128	0.7
79.05489	4.7
81.03406	1.1
81.05783	0.5
81.06598	0.6
81.07057	11.0
83.04958	1.4
83.08627	3.0
84.08136	1.2
85.02914	1.1
85.05277	0.7
85.06516	1.8
86.06071	14.4
91.05466	2.9
93.07037	4.2
95.04944	1.3
95.08607	10.1
96.08131	8.5
97.06506	2.2
97.10121	0.8
98.05504	0.8
98.06064	6.3
98.09690	1.6
99.04447	2.5
100.07653	0.6
103.04203	0.6
105.07038	2.8
107.04885	0.6
107.08595	3.3
108.08127	2.6
109.06512	2.4
109.10127	2.2
110.09659	1.9
111.08073	0.7
112.07574	1.6
114.09167	0.9
116.10738	6.9
119.08592	2.9
120.08080	1.1
121.10113	2.0
122.09698	3.1
123.08053	0.9
123.11716	1.7
124.07578	4.1
124.11189	0.6
125.09624	0.8
126.09086	0.6
127.03877	0.6
128.10698	0.7
129.07002	0.7
131.08536	0.8
133.10120	1.4
134.09642	1.4
135.08003	0.6
135.11674	0.9
136.11180	2.0
137.05927	0.8
138.09097	1.2
140.10683	0.9
142.07579	0.8
142.08643	14.7
147.11653	1.7
150.09076	0.6
151.11203	3.2
152.10669	1.2
152.14319	1.2
154.12227	2.5
162.12791	1.9
164.14340	1.9
169.12221	2.6
176.14398	0.6
182.15408	2.0
194.15388	4.3
208.16937	1.0
210.18536	62.7
211.16936	1.3
212.16460	100.0
213.16713	0.6
226.18022	88.1
227.16400	4.7
233.11769	1.2
236.16406	3.8
254.17474	5.2
271.05975	0.7
272.18591	15.0
280.22690	0.9
298.23859	1.6
312.67746	0.5
313.26794	0.6
314.19659	6.1
333.24301	3.1
334.23663	0.7
340.17618	2.5
352.24783	0.6
358.18594	39.6
360.28992	0.6
361.56204	0.5
374.30127	0.5
376.28500	3.3
378.30005	3.5
394.29520	20.3
412.23492	0.6
421.26199	0.8
422.29163	1.2
462.62109	0.7
465.24890	1.8
482.31027	6.4
491.26056	0.6
508.29324	1.9
526.30182	55.3
527.30426	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.3009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.5
55.05513	8.3
57.03439	3.3
60.21013	1.3
67.05502	11.7
69.07059	11.6
70.06577	2.1
71.01328	1.3
71.04986	2.9
71.53939	1.2
71.60844	1.9
71.61277	1.6
72.08154	1.3
79.05500	8.8
81.03416	4.7
81.07063	17.5
83.04985	2.9
83.08622	5.4
84.08101	1.7
85.02930	3.1
85.05276	1.5
85.06535	2.8
86.06066	16.2
91.05480	7.6
93.07060	8.4
95.04958	5.3
95.08602	12.1
96.08133	8.9
97.02862	3.0
97.06528	11.9
98.06035	7.1
98.09697	4.8
99.04465	3.4
105.07041	4.4
106.07399	1.3
107.04966	2.5
107.08586	6.0
108.08129	4.2
108.08867	2.2
109.06508	1.9
109.10175	5.4
110.09718	2.6
110.10482	1.3
111.04413	1.8
112.07632	1.4
116.10729	7.4
119.04929	1.6
119.08600	4.6
121.06597	1.6
121.10162	4.1
122.09679	2.6
123.11705	2.5
124.07593	4.3
131.08572	2.3
133.10127	2.4
134.09694	1.6
135.11710	2.2
136.11189	2.3
137.05980	8.5
138.09172	2.7
140.07083	1.8
140.10919	1.4
142.08636	18.4
142.12292	5.3
145.10123	2.4
147.11671	2.6
149.09673	2.6
151.11200	4.8
152.10716	1.8
154.12186	2.4
162.12808	3.0
163.11217	1.4
164.14320	2.3
169.12294	3.1
175.07549	1.5
182.15392	1.9
183.11720	5.3
193.12105	1.6
194.15388	3.7
206.71751	1.1
210.18536	70.1
211.13333	2.1
212.16463	100.0
215.10747	2.1
226.18011	86.5
227.16405	5.5
233.11708	13.3
236.16522	3.1
246.83928	1.3
254.17526	5.7
271.05972	2.7
272.18570	19.3
280.22623	1.3
283.15384	2.5
287.10452	1.4
296.22360	1.7
298.23743	1.9
314.19675	8.1
329.17462	5.1
333.24356	1.4
340.17444	2.9
358.18588	53.9
376.28384	4.3
376.60803	1.3
378.29980	6.3
394.29559	29.7
412.23248	2.1
428.22495	2.3
465.24789	2.4
475.58313	1.2
482.30923	8.0
508.29373	4.6
526.30212	81.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.2
55.05513	18.0
56.96561	3.9
57.03425	2.6
57.07063	5.7
63.78831	2.4
66.69060	2.9
67.05503	31.4
69.03409	10.9
69.07067	41.1
69.35040	5.9
69.35447	20.1
70.06578	4.3
71.04971	4.2
71.08638	3.0
79.05503	18.4
81.03406	6.3
81.07059	100.0
83.04948	3.9
83.08625	15.7
85.02911	25.1
85.06552	16.3
86.09679	4.7
91.05499	16.0
91.88818	3.0
93.07050	36.2
94.06557	3.7
95.04979	6.1
95.08608	73.5
96.08147	4.2
97.02880	11.1
97.06534	9.5
97.10165	10.5
99.08104	34.2
100.11234	4.6
105.07031	19.6
107.08599	40.4
109.02876	2.8
109.06496	4.7
109.09457	4.9
109.10160	72.9
110.09625	4.3
111.04409	3.0
111.08076	9.5
111.11727	6.3
113.09617	4.1
119.08567	14.4
120.08121	4.4
121.10144	32.0
123.11703	39.4
125.05971	2.9
125.09615	6.8
127.03918	3.6
127.11214	3.4
133.10126	10.5
135.11703	20.5
136.07559	3.0
137.05977	5.7
137.09615	4.3
137.13239	15.5
138.09181	3.7
139.11169	30.9
145.04994	3.0
145.10080	3.7
147.11667	10.3
149.09592	5.9
149.13278	30.9
151.14830	6.4
153.12685	10.8
159.11584	3.2
161.13243	7.3
162.05453	3.2
163.14775	12.2
164.10622	3.1
165.09109	3.7
165.16431	3.5
166.08620	9.4
167.08942	2.8
167.14380	12.7
175.14816	4.5
177.16324	7.8
179.17947	3.2
182.15373	4.4
191.17906	4.4
192.10143	4.6
216.07542	7.7
217.19556	6.8
273.25775	14.8
279.26782	32.0
289.14774	5.6
289.64728	3.8
291.26813	73.9
295.10730	3.5
309.27896	69.3
311.10162	3.1
325.36279	2.8
327.28879	24.6
345.30109	5.9
379.12643	3.0
404.70731	2.5
493.17593	3.1
494.19052	9.5
508.20605	3.0
525.19159	94.9
525.26666	5.4
525.33459	11.8
526.19641	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	525.364
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.8
55.01863	1.8
55.05508	14.0
57.03455	2.5
57.07071	4.8
59.05001	1.7
61.02913	2.0
67.05172	1.9
67.05511	23.6
69.03436	8.1
69.07072	40.1
69.07455	2.1
70.06589	2.9
70.94814	2.4
70.95148	1.1
71.04987	4.7
71.08604	3.1
73.41869	1.0
79.05498	14.0
79.18452	0.9
80.46281	1.1
80.62103	0.9
81.03400	3.1
81.07060	100.0
83.04979	3.2
83.08634	14.9
84.04491	3.0
85.02908	18.8
85.06555	9.7
86.09711	2.3
88.80139	1.1
91.05484	8.3
93.07049	30.6
95.04976	3.4
95.08613	58.9
96.08889	1.2
97.02883	5.5
97.06547	7.1
97.10174	9.5
98.97565	1.7
99.04426	1.9
99.07478	2.3
99.08102	33.4
99.08742	2.1
100.07704	1.0
100.11256	3.0
101.24139	1.1
105.07018	11.3
107.08598	39.8
109.02890	2.3
109.06516	2.3
109.10163	62.1
111.04440	1.8
111.08099	9.1
111.11702	5.2
113.09642	3.4
117.07038	1.5
119.08585	9.5
120.08039	1.8
121.10143	24.0
123.08046	3.8
123.11713	41.3
124.07558	2.5
125.09675	5.3
125.13262	2.2
127.03922	3.5
127.11176	2.6
127.73086	1.2
131.08540	1.7
133.10132	7.8
135.08080	1.9
135.11697	17.6
137.05998	2.5
137.13271	16.5
138.05469	1.2
138.09183	1.7
139.07593	1.3
139.11182	29.5
145.04939	2.8
145.10135	1.9
147.11667	6.8
149.13272	25.0
151.14824	5.1
153.12740	11.3
159.11655	2.0
161.13248	8.1
162.05533	2.1
163.14845	14.1
164.10667	1.4
165.12691	1.6
165.16379	4.1
167.14336	12.1
171.13844	2.2
173.09514	1.4
175.14842	3.3
177.09090	1.2
177.16412	6.4
179.17937	1.7
180.06548	1.4
181.15826	1.8
182.15530	1.6
189.16432	2.4
191.17958	5.0
192.10202	1.5
203.10408	1.5
203.17978	4.9
205.19508	3.7
208.09653	1.2
210.14955	2.2
217.19543	8.3
221.19099	1.3
235.20551	3.1
261.25751	2.4
273.25766	15.0
279.26810	32.7
289.05283	1.3
291.26831	71.5
297.27783	2.5
309.27887	64.8
327.19489	1.4
327.25174	2.5
327.28860	20.3
345.29926	4.6
494.19339	4.8
525.23126	6.1
525.34283	5.9
526.21497	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	525.3632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15985	2.1
55.01846	2.3
55.05500	15.0
57.07072	4.8
67.05499	25.6
68.67254	2.2
69.03432	15.7
69.07069	36.0
70.06573	2.3
70.72043	7.7
71.04994	2.8
72.42271	2.1
79.05494	14.0
81.03395	4.1
81.07054	100.0
83.06104	18.8
83.08611	13.9
85.02892	11.0
85.06547	15.0
91.05456	3.7
93.07043	29.3
95.04949	4.4
95.08599	75.5
97.02943	2.8
97.06526	8.7
97.10188	11.3
99.04429	2.7
99.08083	9.6
105.07034	10.8
107.08585	30.0
109.06555	2.8
109.07697	2.2
109.10151	50.1
111.08089	8.9
111.11713	6.0
113.09679	2.5
119.08561	9.0
120.08102	3.4
121.10133	21.5
123.08081	3.1
123.11703	40.6
125.09590	4.5
125.13282	2.5
127.03912	3.0
127.11180	2.4
129.07144	2.2
131.08533	2.9
133.10139	7.2
135.08060	2.8
135.11678	15.3
137.13261	16.9
139.11136	2.5
145.10086	3.3
147.11713	4.4
149.13258	18.8
151.14824	8.3
153.12744	4.3
154.06268	3.0
159.11717	4.4
161.13260	4.0
163.07594	3.5
163.14796	17.5
171.23245	2.5
173.13232	2.5
177.16365	8.2
181.15933	3.6
186.10143	2.3
191.17920	5.0
195.10159	9.1
201.12656	4.4
203.10680	2.5
205.19528	5.3
217.19441	5.5
223.20631	3.1
231.10289	2.8
235.20410	2.5
240.12318	2.4
247.24115	2.8
253.21616	4.2
261.25803	3.5
265.09747	3.8
273.25781	5.4
279.26956	5.9
281.15356	4.9
291.26797	40.0
293.09439	2.8
297.27597	2.6
309.27899	24.5
313.18097	14.0
327.28912	3.9
331.18814	4.5
344.05020	2.1
345.17099	5.4
345.30215	4.1
353.11340	8.4
363.21637	28.7
364.21838	2.9
494.19153	8.3
525.30731	13.7
531.54083	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	525.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45988	1.8
52.71616	1.5
53.03921	2.0
55.01867	2.1
55.05513	10.8
57.07062	7.2
57.66068	1.5
58.15885	1.8
66.75272	1.7
67.05506	19.9
69.03408	3.4
69.07066	29.0
69.44513	17.2
71.04991	2.4
71.08623	2.3
79.05492	13.0
81.07052	100.0
82.07384	2.0
83.04975	2.9
83.08604	12.5
85.02898	7.7
85.06548	25.1
91.05476	4.6
93.07037	19.4
95.04954	2.8
95.08607	58.1
95.79762	1.6
97.02898	2.5
97.06510	5.1
97.10157	9.3
99.08093	66.9
100.11261	3.2
105.07031	7.7
107.08594	25.8
109.10153	41.4
111.04448	2.2
111.08072	5.4
111.11723	6.2
113.09587	2.7
119.08570	6.9
121.10136	16.2
123.08091	2.0
123.11702	27.4
125.09631	4.4
131.08525	1.9
133.10117	6.5
135.09169	1.6
135.11703	14.9
137.09576	2.3
137.13295	10.0
139.11172	6.7
145.04922	2.0
147.11719	4.8
149.09712	1.9
149.13277	19.1
151.14816	6.0
153.12732	4.2
161.13234	2.8
163.14819	15.4
165.16353	2.2
167.14323	2.4
175.14886	2.2
177.16403	5.9
181.15839	5.8
189.16321	2.4
191.17966	4.1
203.18065	2.2
205.19449	2.4
211.20871	1.8
217.19501	5.2
235.20569	2.4
261.25766	4.1
273.25763	8.0
279.26837	14.3
291.26849	33.1
297.27887	14.0
309.27856	38.8
327.28961	20.0
345.29922	4.4
377.45392	1.7
481.45361	2.3
494.19510	2.3
506.51483	2.0
525.33667	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	525.306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80779	4.3
53.03937	7.1
55.01863	12.7
55.05515	31.1
57.03431	8.9
59.04992	10.4
67.05510	58.9
69.03436	4.3
69.07083	18.3
71.01348	4.2
71.04989	27.2
71.60517	5.9
79.05059	5.9
79.05492	63.3
81.03425	56.5
81.07066	60.0
83.04996	24.5
83.08627	24.0
85.02910	12.9
85.06545	10.1
87.04485	4.5
91.05479	56.8
93.07048	50.8
95.04964	30.7
95.08607	24.8
97.02892	12.6
97.06525	19.7
97.10168	12.5
99.04463	6.0
99.08037	3.4
105.07034	47.4
107.04974	17.9
107.08595	42.4
109.06521	13.6
109.10158	14.5
111.04461	10.5
111.08089	12.4
113.06015	4.5
115.05473	4.7
117.07003	11.4
119.04959	4.5
119.08575	35.2
121.05577	3.4
121.06508	9.9
121.10154	43.6
122.30042	4.1
123.04405	3.6
123.08064	13.1
123.11797	4.3
125.09633	14.2
127.03934	4.0
129.07010	16.9
131.08586	27.3
133.06450	6.3
133.10155	31.1
135.04437	9.9
135.08067	7.8
135.11693	13.2
137.05968	5.3
137.09630	7.1
139.11176	4.2
143.08640	4.5
145.06462	6.5
145.10138	14.5
147.08029	10.0
147.11670	19.9
149.09615	33.8
150.89005	3.7
151.07556	4.8
151.11142	3.9
153.09097	5.6
153.12767	10.1
155.08568	4.4
157.10146	19.3
159.11731	4.4
163.11174	21.7
169.10191	4.0
171.11710	6.6
173.09639	5.6
175.07558	4.3
175.11203	17.3
181.12268	7.0
185.13248	3.8
187.11240	5.9
189.11212	9.6
191.10710	4.7
193.12262	47.8
197.15282	5.3
199.13272	6.8
201.12950	4.7
203.14319	3.9
209.11740	10.8
211.13315	69.2
225.14891	16.3
227.12738	8.4
249.14925	17.4
267.15912	15.8
283.15497	14.1
355.22513	5.8
365.21078	10.2
373.23706	5.7
383.22104	19.8
401.23230	22.8
415.24783	5.6
419.24362	4.8
433.25742	12.7
457.25983	7.3
475.26746	29.2
489.28433	4.8
493.27884	26.5
507.22354	6.8
507.29565	88.5
525.30707	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	525.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	10.5
55.01868	20.3
55.05260	4.0
55.05508	41.2
55.06433	4.1
57.03444	17.0
57.07053	5.1
59.04988	15.4
61.02906	5.2
65.03919	3.9
66.83644	3.4
67.05177	5.6
67.05502	72.4
68.89925	2.8
69.03411	13.5
69.07066	28.1
69.53426	21.7
69.53838	6.3
71.04994	33.1
79.05488	63.1
81.03421	55.7
81.07058	80.0
83.04973	24.0
83.08620	26.1
85.02895	14.1
85.06527	14.9
91.05479	72.1
92.22727	3.1
93.06467	5.5
93.07036	74.6
95.04972	45.4
95.08617	43.1
97.02866	8.7
97.06537	28.5
97.10186	25.5
98.21452	6.6
99.08057	3.9
105.07024	50.8
107.04974	17.7
107.08582	46.6
109.06493	10.9
109.10169	19.7
111.04456	8.4
111.08053	13.2
115.05422	6.2
116.42101	3.7
117.07008	20.4
119.04993	5.0
119.08593	37.4
121.06487	10.1
121.10136	50.6
123.04417	7.9
123.08025	8.3
123.11719	6.3
125.05994	7.7
125.09622	15.1
127.03943	5.9
129.06996	21.5
131.08568	37.3
133.06479	6.1
133.10118	37.3
135.04428	5.5
135.08058	9.6
135.11723	19.8
137.05923	4.3
137.09607	11.4
143.08553	6.4
145.06488	6.4
145.10127	19.0
147.08023	8.4
147.11705	33.0
149.09628	31.0
151.07448	4.1
151.11127	4.1
153.09073	5.5
153.12733	8.8
155.08488	5.0
157.10118	17.8
159.11670	6.3
161.09555	4.0
161.13251	3.6
163.11194	22.4
165.12708	4.8
171.08051	4.2
171.11665	4.1
173.09644	8.8
175.11226	15.8
175.14764	5.4
181.12222	5.7
186.72620	3.2
189.11223	10.3
189.12784	4.0
191.10741	8.4
193.12254	42.3
197.09671	4.3
199.13255	3.9
207.13826	3.4
209.11742	14.6
211.13289	53.9
225.14856	10.8
227.12776	18.2
235.13206	3.7
241.14359	5.4
249.14844	16.1
259.20425	5.2
267.15945	10.9
277.21643	9.4
283.15390	16.3
337.20850	3.7
355.22556	8.0
365.21170	7.1
373.23621	5.7
383.22220	10.7
401.23157	15.3
420.89896	3.9
433.25589	7.7
457.25919	8.7
475.26956	22.3
489.28369	4.7
493.27869	21.6
507.29630	75.3
525.30798	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	525.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00425	1.5
53.03939	6.5
55.01864	6.1
55.05511	15.5
56.87848	1.8
57.03425	7.0
57.07069	5.3
58.55825	1.9
61.02933	3.6
67.05508	34.8
67.08009	1.7
68.99792	2.1
69.03430	34.6
69.07072	11.6
70.44019	6.4
70.44433	3.7
71.04988	6.6
73.02907	4.9
78.12504	1.7
79.05495	12.7
81.03421	25.9
81.07053	26.4
82.08689	1.9
83.04995	10.0
83.08604	5.2
83.89712	1.7
85.02905	28.1
85.06545	77.9
87.00838	13.2
87.04459	3.4
91.03976	1.8
91.05479	15.2
93.07048	19.6
95.04971	11.8
95.08617	32.5
96.08978	1.9
97.02903	16.0
97.06530	10.0
97.10181	3.4
99.04456	10.7
99.08096	79.4
105.01847	6.4
105.07034	23.2
107.04990	4.4
107.08605	18.5
109.02886	16.4
109.06538	12.7
109.10166	26.3
111.04395	2.2
111.08064	4.9
111.11733	2.8
117.01827	2.8
117.07005	3.5
119.08588	31.8
121.06481	5.1
121.10155	37.3
123.08065	8.7
123.11716	11.9
125.05976	4.2
125.09617	17.6
127.03928	24.1
129.07001	4.6
131.08565	7.6
133.06490	3.5
133.10126	21.4
135.07999	3.4
135.11703	7.2
137.05963	3.5
137.09608	8.3
137.13269	3.8
139.11192	5.5
141.06975	2.3
142.07784	2.5
143.08549	6.6
144.35042	1.8
145.04985	8.8
145.10136	14.3
147.02818	2.1
147.07986	3.0
147.11690	34.8
149.09602	4.9
149.13229	3.7
151.11186	5.5
157.10106	10.2
157.27773	1.8
159.02873	7.0
159.08105	2.2
159.11737	9.5
161.09666	4.1
161.13245	6.7
163.11218	5.5
165.09169	2.5
165.12747	14.7
169.10201	2.7
171.11690	8.4
173.13257	5.2
175.11195	7.6
175.14790	4.6
177.12686	2.9
179.14297	11.5
181.12173	2.0
185.13286	12.1
189.12775	4.5
193.12263	4.4
199.14789	7.4
201.16393	12.0
203.14331	5.8
207.13832	2.2
209.11743	4.5
211.13217	3.0
217.15897	2.2
223.13380	2.2
225.11263	2.3
231.05035	3.8
241.19524	5.2
259.20587	100.0
264.17581	2.1
272.09885	1.8
277.21707	9.6
277.24362	1.8
309.27798	7.2
381.17987	1.9
507.30002	2.8
525.26385	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	525.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.6
55.01859	7.8
55.05521	17.2
56.96535	2.5
57.03421	7.3
57.07066	8.6
59.04999	2.3
60.95670	2.2
61.02921	4.2
63.17787	2.0
67.05179	2.5
67.05508	35.9
69.03124	2.6
69.03431	29.4
69.07066	20.8
70.34190	8.9
71.04988	8.4
71.34437	2.1
73.02908	5.8
79.05487	14.7
81.03424	26.2
81.07056	44.0
83.04966	10.2
83.08609	9.5
85.02905	32.0
85.06548	67.2
87.00804	8.4
91.05470	17.1
93.07047	26.9
95.04985	12.6
95.08614	38.4
97.02874	14.5
97.06514	13.1
97.10166	2.7
99.04432	8.2
99.07490	4.4
99.08096	70.2
103.05484	2.5
105.01852	6.1
105.07021	28.2
107.04918	5.0
107.08585	23.8
109.02871	15.2
109.06531	16.8
109.10163	32.1
111.08090	6.5
115.03912	2.9
117.07015	7.4
119.08579	33.9
121.06473	5.7
121.10135	34.5
123.08078	9.8
123.11704	13.8
125.05964	5.4
125.09621	16.7
127.03934	28.5
129.06978	4.3
131.08543	9.6
133.10118	24.1
135.04398	2.3
135.08069	4.8
135.11658	10.3
137.05956	3.9
137.09625	7.0
139.11160	6.1
143.08568	6.6
145.04927	9.1
145.10115	16.7
147.08038	5.1
147.11691	25.2
149.09598	8.9
149.13248	4.2
151.11176	6.2
153.12737	2.8
157.10136	8.2
159.02844	8.6
159.11691	15.4
161.09566	5.0
161.13257	9.3
163.11162	4.9
165.09102	5.3
165.12755	11.6
170.10905	4.3
171.11664	6.9
173.09482	2.5
173.13239	8.2
175.11133	7.2
175.14848	6.3
179.14299	10.7
181.12344	2.5
185.13264	9.8
187.11180	2.6
189.09116	3.2
189.12758	6.9
192.10172	2.6
193.12193	2.9
199.14804	9.7
201.16417	17.9
201.89104	2.8
203.14261	6.6
209.11676	7.7
215.17976	6.2
217.15833	5.5
219.13899	3.4
220.85898	2.1
223.14783	2.5
227.12720	2.5
231.04985	3.8
241.19467	8.3
259.20581	100.0
259.23410	5.4
261.11615	4.5
277.21622	6.5
283.15396	3.0
286.54996	2.4
288.51999	2.3
291.26910	3.2
299.14993	2.9
309.27786	3.2
363.21588	7.0
364.20966	3.7
446.17819	2.8
475.26627	2.7
481.24081	2.6
525.27271	46.8
526.26221	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	525.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.6
54.47874	2.7
55.01869	11.4
55.05502	23.5
57.03436	10.4
57.07064	9.8
60.58576	2.8
67.05505	45.9
69.03434	26.8
69.07059	14.6
69.56687	3.0
71.04996	11.3
71.61234	4.1
73.02910	3.2
79.05489	30.5
81.03428	29.8
81.07051	41.8
83.04978	13.2
83.08612	9.4
85.02899	29.3
85.06545	70.3
86.02373	2.9
87.00819	11.1
87.62630	2.9
91.05475	27.3
93.07046	28.2
95.04987	21.9
95.08605	36.1
97.02905	12.4
97.06532	21.1
97.10183	9.9
98.97615	3.5
99.04455	7.6
99.08092	82.6
105.01848	8.3
105.07030	39.4
107.04959	6.2
107.08604	28.8
108.08136	3.8
109.02869	22.4
109.06518	17.9
109.10155	22.2
111.04441	5.8
111.08059	6.6
113.05993	3.3
117.07037	8.7
119.08582	30.5
120.08067	5.4
121.06506	6.5
121.10129	36.4
123.08038	10.2
123.11720	9.8
125.05983	8.6
125.09634	22.0
127.03941	21.0
129.06992	6.6
131.08556	14.9
132.98900	2.9
133.10136	28.2
135.08067	5.3
135.11708	8.0
137.05974	5.2
137.09625	9.6
138.09143	9.8
139.11185	7.2
142.07771	5.1
143.08563	8.0
145.05000	5.3
145.10130	13.9
147.08014	3.7
147.11673	33.3
149.09604	11.0
151.11163	6.2
153.09129	4.3
157.10123	6.8
159.02901	8.2
159.11693	10.4
161.09633	8.4
161.13232	5.0
163.11205	11.0
165.12746	14.8
166.08714	18.0
171.11761	10.3
173.11856	3.3
173.13278	8.2
175.11237	8.8
175.14853	5.6
179.10742	5.3
179.14319	11.8
181.12216	3.4
185.13264	14.0
189.12801	5.8
191.10512	4.1
193.12296	10.4
199.14832	8.5
201.16432	13.2
209.11774	6.4
211.13263	15.3
216.93295	3.6
217.16017	3.7
227.12733	7.4
241.19479	4.8
259.20551	100.0
277.21677	8.7
283.15524	6.7
312.08746	4.8
312.12842	7.8
317.56216	3.1
336.80991	3.7
340.08386	5.7
341.87546	2.9
356.15778	5.4
372.10666	3.7
427.19687	4.1
444.66003	3.6
475.26968	4.9
507.29495	12.3
525.27435	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01866	2.4
57.03434	2.8
61.02929	3.7
69.03423	15.5
69.76439	5.3
69.76857	2.8
71.04993	1.5
73.02906	4.4
81.03420	3.5
85.02905	31.5
87.04491	2.0
97.02888	11.3
98.20819	1.9
98.97588	2.8
99.04465	2.5
109.02911	2.0
112.89606	2.9
115.03889	1.8
115.42657	1.1
119.01911	2.5
125.37970	1.2
127.03912	17.4
143.01880	8.1
145.03606	1.4
145.03812	1.7
145.04956	13.7
153.04131	1.5
153.22974	1.2
155.01895	4.6
158.99646	1.9
161.02957	12.7
167.02008	1.8
173.02940	6.8
173.75012	1.2
174.03130	1.8
174.04486	2.5
177.00665	1.5
182.94624	1.5
183.05008	8.8
183.55173	1.3
185.02930	7.6
189.00728	1.5
191.03940	4.3
192.05580	9.2
197.02988	2.9
200.04440	1.7
203.04030	9.0
203.56303	1.4
204.04147	1.3
215.03911	1.4
219.01924	1.6
221.05174	1.5
233.04962	1.7
245.05135	18.6
246.05254	2.5
263.06158	9.4
264.07773	10.5
264.58118	2.0
273.08191	31.7
273.58289	6.6
275.06180	4.2
279.03763	1.3
281.07169	3.9
281.57053	1.3
293.07138	1.8
305.07269	3.4
316.11905	1.3
316.35654	1.3
354.10715	3.7
362.09760	1.9
365.09271	5.6
425.11426	7.7
426.11795	1.4
525.10107	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	524.3712
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05516	0.8
56.05025	1.0
57.03426	0.9
57.07082	3.1
58.06580	1.0
59.07401	0.4
60.08163	17.0
66.76786	0.4
67.05516	1.9
69.07055	0.9
69.36908	3.7
71.07374	6.8
71.08630	2.2
76.62520	0.4
81.03423	1.1
81.07041	1.6
83.08612	1.1
85.10165	1.1
86.09703	46.9
86.22687	0.4
90.05109	0.3
91.05476	0.6
95.04972	0.5
95.08597	1.7
96.08956	0.4
98.21503	0.4
98.98450	2.9
104.10741	100.0
109.10138	1.0
125.00002	25.9
143.01031	0.6
163.01573	0.9
166.02597	0.5
180.51480	0.3
183.28400	0.4
184.07338	92.2
193.12273	1.2
198.01118	0.4
210.10678	0.4
213.85582	0.3
258.11124	1.0
267.15869	0.5
268.16379	0.5
269.89017	0.4
313.27081	0.6
314.27750	0.6
341.30402	1.9
506.35892	10.2
524.37042	44.7
525.37061	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3997
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51466	3.2
55.05493	10.7
55.05761	3.6
57.03418	7.2
57.07081	32.2
67.05507	24.4
69.07069	6.7
69.88683	18.7
69.89090	7.1
71.04965	4.3
71.08619	16.8
79.05489	16.9
81.03422	28.9
81.07062	28.7
83.04961	7.7
83.08619	22.6
85.02887	11.0
85.10176	12.5
91.05482	20.9
93.07034	11.3
94.71645	3.8
95.04967	15.5
95.08623	20.1
96.98119	3.4
97.10181	7.1
105.07025	13.0
107.04991	4.0
107.08627	4.3
109.10139	12.0
109.23983	3.9
119.08574	11.7
120.05321	3.7
121.10142	4.1
129.06966	5.7
131.08519	7.1
133.10118	11.0
137.89954	3.6
147.11668	5.7
157.10127	6.7
172.76976	3.3
175.11198	7.4
175.60823	3.4
193.12254	27.2
211.13304	30.7
267.15979	22.9
270.49200	4.6
313.27350	16.7
505.38617	15.7
523.39917	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24130	0.8
53.03946	1.6
55.01874	1.2
55.05507	9.3
57.03431	5.1
57.07071	30.7
60.92087	0.8
65.03956	0.8
67.05499	19.4
69.03412	2.2
69.07075	7.1
69.68703	5.4
71.04979	2.8
71.08239	1.0
71.08629	18.8
71.25409	0.7
79.05483	9.8
81.03413	30.6
81.07056	23.2
83.04977	5.3
83.08616	17.6
85.02901	17.2
85.06561	0.8
85.10177	9.3
90.05080	0.8
91.05477	12.7
93.07037	7.0
93.36813	0.8
95.04967	9.4
95.08598	18.1
97.06521	1.6
97.10170	4.6
98.20766	0.9
105.07023	9.0
107.04920	1.9
107.08599	1.8
109.06521	2.4
109.10142	8.3
111.04446	1.3
111.08089	3.9
111.11714	1.1
113.05982	1.5
119.08582	7.7
120.32465	0.7
121.06495	0.9
121.10124	4.3
123.04409	1.1
123.11707	3.4
129.07007	5.1
131.08559	4.1
133.10127	2.8
137.13255	1.5
142.07809	1.3
147.08055	1.7
147.11687	6.1
149.09605	3.6
157.10146	6.3
165.12767	1.1
175.11182	6.6
193.12238	29.5
209.77800	0.7
211.13284	32.7
211.15282	1.7
220.52089	0.8
239.23711	4.4
267.15875	8.5
313.27371	8.6
501.08215	0.8
505.39032	5.5
523.39923	100.0
524.40131	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	523.3998
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88097	2.4
52.74959	2.9
53.03938	3.4
55.05507	14.3
57.03445	4.9
57.07074	32.2
67.05505	30.4
69.07061	9.4
70.08795	2.6
70.53954	9.9
71.04993	3.5
71.08633	23.6
79.05492	12.6
79.05905	2.8
81.03413	25.2
81.07056	28.2
83.04972	5.1
83.08623	18.5
85.02901	13.7
85.10172	13.7
91.05494	15.4
93.07040	10.7
95.04958	15.2
95.08617	22.9
97.06532	3.1
97.10168	7.1
105.07029	11.5
107.04940	4.1
107.08569	4.6
109.06577	4.9
109.10158	8.9
111.08076	8.4
119.08589	10.8
121.10152	8.9
123.11723	4.5
129.07045	6.0
131.08553	6.8
133.10141	5.3
147.11702	6.7
149.09660	4.2
157.10109	5.9
175.11200	4.7
186.71489	2.9
193.12253	30.5
211.13277	29.7
221.02077	2.5
223.92973	3.1
239.23784	2.9
267.15833	13.0
313.27325	13.4
492.45300	2.7
505.38806	10.1
523.39972	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	523.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87992	9.7
55.12851	9.3
56.22595	10.5
57.03442	15.3
57.07070	43.5
63.58261	10.4
65.04620	9.8
67.05499	14.7
69.07063	17.9
69.62896	83.2
71.08625	26.7
79.05474	19.8
81.03413	80.6
81.07056	34.6
82.81470	10.9
83.08623	22.0
85.10212	16.7
90.64000	11.0
91.05466	11.9
93.89072	9.9
95.08607	22.6
97.10162	12.5
98.20815	18.2
100.99187	10.6
109.10157	17.3
119.08614	11.0
123.08096	10.4
165.82634	10.1
193.12292	51.1
208.02296	10.7
267.15860	100.0
313.27353	98.7
313.44937	9.6
471.45483	13.7
505.38766	70.6
523.39545	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	523.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45773	3.8
55.05505	25.0
57.03426	19.7
57.06822	6.0
57.07073	66.0
67.05508	38.8
69.07053	19.7
69.47555	29.4
69.47988	11.0
71.08628	44.8
79.05489	29.1
81.02975	7.8
81.03416	88.9
81.07056	41.2
83.04975	9.6
83.08635	32.1
85.02882	10.3
85.10191	30.3
86.09707	4.9
91.05473	25.5
93.07037	20.4
95.04950	23.5
95.08590	42.8
97.06489	7.3
97.10149	16.9
104.10745	8.1
105.07016	17.0
107.08578	10.9
108.29687	4.4
109.06451	6.2
109.10122	19.2
111.08070	7.7
111.11723	5.5
113.80280	4.9
119.08572	15.8
121.10130	10.5
123.11581	6.6
129.06961	7.7
131.08536	8.0
133.10103	10.7
134.80200	4.7
137.09575	5.5
146.25349	4.5
147.11690	13.8
149.09586	4.7
157.10088	9.5
175.11171	16.5
184.07359	6.2
193.12216	64.0
211.13258	25.4
239.23669	10.6
267.15894	91.5
313.27322	88.5
505.38977	68.3
523.39935	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	523.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.0
57.07066	7.5
67.05498	25.7
69.07072	31.0
70.17069	13.2
71.04996	5.3
79.05496	19.7
81.07062	100.0
83.04996	6.9
83.08611	11.5
85.02923	8.3
91.05477	16.0
93.07050	48.9
93.64925	3.6
95.04967	11.1
95.08612	81.6
97.06554	5.3
97.10171	9.4
98.05406	4.0
98.20782	3.7
105.07025	22.4
107.08601	39.9
109.06484	3.9
109.10167	54.7
111.08076	8.6
111.11723	11.3
117.06950	3.9
119.08579	25.7
121.10150	34.1
123.11708	46.6
125.09624	6.3
127.11201	4.2
131.08533	7.1
133.10124	14.8
135.11705	31.2
137.09592	6.7
137.13258	22.6
139.11186	11.8
141.12804	3.6
145.10132	9.4
147.11693	17.8
149.13271	27.8
151.11169	4.8
151.14845	6.8
153.12737	6.8
155.10684	4.1
159.11667	7.1
161.13278	8.7
163.14816	13.0
165.12752	5.2
167.14252	5.7
173.13158	5.5
175.14758	3.4
177.16400	9.6
181.12218	6.5
189.16397	10.0
191.17961	5.7
215.17957	10.6
220.18167	3.7
259.24203	4.2
271.24042	16.2
277.25311	6.2
289.25266	33.5
307.26385	39.1
325.27374	13.7
343.28497	9.7
367.12289	3.7
428.58347	3.5
523.29578	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	522.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.0
53.37444	0.7
55.05505	2.3
67.05495	2.5
69.07059	2.3
69.70310	1.0
71.60979	1.3
79.05500	3.8
80.88050	0.8
80.88532	1.0
81.03448	1.2
81.07071	5.0
89.08577	0.8
91.05440	1.4
93.07069	2.4
95.08588	2.2
99.87057	0.7
105.06993	0.9
106.06525	1.9
107.08615	1.3
109.10174	1.9
116.05025	1.2
119.08545	0.9
121.10162	0.9
127.98533	0.9
134.06024	16.6
136.07565	2.6
137.08302	1.4
150.09120	1.0
152.07074	8.1
160.07568	0.9
162.09189	2.1
166.08624	1.0
176.10703	2.0
176.92622	0.7
178.08606	6.3
179.09351	3.9
180.06555	2.4
180.10176	4.3
180.48267	0.9
182.03522	0.7
188.10574	1.3
189.11330	0.8
190.12198	0.8
193.12410	1.0
202.12239	1.4
204.10211	0.9
206.08128	13.2
208.13307	1.2
218.11493	0.8
224.09215	2.7
230.11732	0.9
235.27429	0.9
292.15631	1.1
396.32648	1.5
424.32050	3.4
430.29434	1.1
486.35831	54.0
487.36188	1.4
504.36798	18.2
504.43762	1.6
522.37915	100.0
523.29059	2.0
523.37817	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	522.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
55.05499	2.1
56.05017	0.9
60.08176	4.5
64.66809	0.6
67.05498	2.4
67.18494	0.7
69.07072	1.5
71.07356	2.4
71.23175	1.4
72.46725	0.6
79.05473	1.5
81.07050	2.0
83.08599	1.0
83.16184	0.7
85.02906	0.9
86.09711	29.2
91.05450	0.8
92.50638	0.6
93.07023	1.6
95.08606	2.0
97.10120	0.8
98.98489	1.6
104.10737	2.5
105.07072	0.7
107.08591	0.7
115.04086	0.6
125.00011	17.0
136.64775	0.6
169.10106	0.8
175.07469	0.7
184.07352	100.0
210.97795	0.7
214.54013	0.7
504.34113	1.9
522.36536	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	522.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.0
55.01882	2.3
55.05510	11.1
57.07067	2.1
57.72178	1.6
59.04992	2.3
61.02905	1.5
65.03931	1.9
67.05505	13.8
69.03427	9.5
69.07071	12.7
69.46027	13.8
71.04996	21.2
73.00748	1.6
73.02912	2.4
79.05492	26.3
80.74311	1.7
81.03410	4.5
81.07056	100.0
83.04990	2.2
83.08598	5.0
85.02431	1.9
85.02906	22.6
85.06541	2.4
86.09712	2.3
87.00844	10.7
91.05479	19.9
93.07041	42.1
95.04974	3.4
95.08607	35.5
97.02883	7.5
97.06534	4.5
97.10174	3.2
99.04453	2.6
99.08089	5.8
103.05502	1.7
105.01870	18.7
105.07037	52.5
106.07391	1.7
107.08596	54.6
109.02885	3.8
109.06532	2.6
109.10160	38.4
111.04455	2.0
111.08082	2.8
111.11701	1.7
113.58298	1.6
115.03864	1.5
117.07026	4.7
119.08583	84.8
119.46201	1.5
120.08125	1.6
121.10141	13.2
123.11703	22.1
125.09618	2.7
127.03922	9.9
127.11208	28.9
129.05460	2.7
131.08551	2.9
133.10133	41.5
135.11693	99.1
137.13263	6.0
143.10677	9.7
145.04956	7.4
145.06833	1.6
145.10101	3.9
147.11691	25.8
149.13309	8.1
153.12749	8.5
157.12239	1.6
159.11678	3.7
160.12431	2.6
161.13248	30.1
163.14838	3.8
165.12669	2.3
175.14816	6.8
177.16432	2.5
179.14345	2.7
203.17958	71.5
211.67633	1.9
221.15762	8.2
221.18994	71.3
231.05066	5.1
233.19240	1.6
239.16449	5.4
249.06049	4.1
253.10077	2.6
288.64288	2.3
433.22028	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	521.3843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.8
55.01868	5.7
55.05516	27.4
57.03428	9.3
57.07075	33.0
67.05507	31.3
69.06763	2.4
69.07074	21.8
69.94724	12.0
71.05010	2.5
71.08630	20.7
79.05505	26.4
81.03423	32.5
81.07065	35.8
83.04989	12.1
83.08624	26.3
85.02910	7.7
85.10172	7.0
91.05470	15.6
93.07045	23.2
95.04982	19.0
95.08607	28.3
95.09171	3.3
97.02888	1.9
97.06543	6.7
97.10197	14.1
98.21480	2.6
99.04507	2.4
99.63802	1.9
102.09477	2.0
105.07011	11.3
107.04968	19.1
107.08614	10.7
109.06545	3.1
109.10160	14.0
111.04475	2.4
111.08084	3.7
111.11709	2.1
117.07053	3.0
119.08592	8.8
121.10153	10.8
123.08041	2.4
123.11684	3.4
124.47172	2.1
129.07031	3.5
129.72270	1.9
131.08611	5.2
133.06538	2.4
133.10130	6.2
135.08078	2.1
135.11703	8.8
142.07809	2.2
145.10133	9.2
147.11748	6.2
153.12770	4.9
157.10144	4.6
163.11154	13.4
173.09711	2.3
175.11230	4.3
180.65469	2.2
181.12320	4.2
191.10736	7.2
193.12254	11.1
209.11751	5.2
211.13390	6.4
227.12802	10.2
233.84280	2.1
237.22130	3.2
239.23776	2.5
249.14842	2.4
265.14420	9.0
267.15869	12.8
291.63062	2.5
311.25742	10.7
313.27393	11.8
365.82965	2.2
410.83093	2.4
429.33594	8.4
503.37430	23.8
521.38434	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	521.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.4
55.01876	1.5
55.05515	23.4
57.03438	6.4
57.07087	6.4
60.08160	4.5
63.10134	1.2
67.05509	38.3
69.07072	28.6
69.52705	1.3
70.10586	3.3
70.10976	2.2
71.05000	3.0
71.07379	3.2
71.08628	3.3
79.05495	20.3
81.03425	26.5
81.07059	36.1
83.04958	7.1
83.08627	21.9
85.02914	12.6
85.06545	2.0
85.10181	1.9
85.48482	1.2
86.09709	28.8
91.05476	18.4
93.07047	21.7
95.04976	16.7
95.08616	23.2
97.02885	2.1
97.06538	4.1
97.10161	11.0
98.98501	2.3
104.10750	3.4
105.07041	11.7
107.04941	3.1
107.08610	12.7
109.10144	10.4
111.04494	1.4
111.08077	4.5
111.11723	1.8
117.07030	1.3
119.08586	10.3
121.10162	16.5
123.08064	2.0
123.11700	2.1
125.00014	16.4
125.09634	1.2
129.07033	5.7
131.08565	6.2
133.10146	5.0
135.11694	6.7
137.13321	2.3
139.11290	1.3
141.91081	1.4
142.07755	1.4
145.10114	1.8
147.08043	1.5
147.11719	5.1
149.09708	2.4
149.13292	2.9
154.94150	3.6
157.10165	4.0
172.95267	14.2
175.11208	5.7
184.07350	100.0
190.96300	8.8
193.12219	22.2
209.11794	2.7
210.97751	2.7
211.13297	25.1
211.15215	1.6
219.21217	1.2
228.97864	3.8
237.22250	4.0
246.99049	3.2
267.15961	6.3
275.20114	2.8
296.35938	1.5
311.25864	6.0
316.15485	1.8
429.33975	2.1
447.18256	2.0
465.19589	3.5
503.37466	4.7
504.34686	1.7
521.22174	7.8
521.38458	87.2
522.36139	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	521.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41902	1.1
53.03927	2.3
55.01867	4.1
55.05512	19.7
57.03434	2.5
57.07074	23.1
60.20866	1.1
67.05499	18.8
69.07066	19.0
69.99329	1.3
70.79129	4.0
71.05003	2.0
71.08628	17.1
77.98034	1.2
79.05495	15.3
81.03424	13.5
81.07053	26.5
83.01343	2.5
83.04982	5.8
83.08617	18.9
85.02897	5.6
85.10188	9.7
89.90936	1.2
91.05471	14.9
93.07052	15.4
95.04951	7.8
95.08602	23.0
97.02892	2.0
97.06547	3.3
97.10167	10.2
101.48279	1.3
105.07045	8.1
107.04960	6.8
107.08582	10.4
109.06495	2.2
109.10159	8.0
111.04423	1.6
111.08096	2.4
111.11702	2.9
111.89155	1.1
115.05466	1.5
117.07028	5.5
119.08578	8.0
121.06474	1.9
121.10138	5.6
123.08063	3.0
123.11707	3.0
125.05977	1.3
125.09615	1.5
128.34726	1.3
129.07033	2.1
131.08565	4.4
133.10127	2.7
135.08136	1.5
135.11685	8.4
137.13307	1.3
139.07645	1.4
145.10101	7.2
147.08028	1.6
147.11726	2.4
149.09642	2.3
153.12688	1.5
163.11157	14.4
173.09621	2.5
175.11205	3.3
178.57883	1.3
181.12195	2.0
182.51088	1.4
191.10654	3.7
193.12299	5.5
209.11630	8.1
211.13364	6.5
227.12747	11.2
237.22131	2.3
239.23653	5.8
265.14481	1.4
267.15878	2.1
293.20694	1.4
299.99622	1.3
313.27332	2.4
332.75540	1.4
503.37543	1.7
521.38361	100.0
522.38623	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
54.18292	0.6
55.01870	1.7
55.05511	20.5
57.03438	4.3
57.07074	8.0
57.10417	0.6
59.04998	1.0
65.03923	1.2
67.05504	32.5
69.03428	1.5
69.07067	24.7
71.04980	2.3
71.08623	3.0
79.05489	19.5
81.03415	27.5
81.07054	35.6
83.04973	7.3
83.08617	24.5
83.09118	1.3
85.02903	15.6
85.06528	2.0
85.07010	0.7
85.10172	2.2
91.05467	16.3
93.07045	20.1
95.04969	13.6
95.08611	21.5
97.02904	2.4
97.06533	4.1
97.07097	0.8
97.08260	0.6
97.10161	10.1
99.08099	1.3
101.51308	0.7
105.07037	12.6
107.04942	2.9
107.08587	10.9
109.06520	3.1
109.10155	7.5
111.04438	1.5
111.08077	5.6
111.11716	3.0
113.05997	1.5
117.07040	1.9
119.08574	9.7
121.06494	0.7
121.10146	13.3
123.08092	1.9
123.11734	4.8
125.09627	1.0
127.11195	0.7
129.07030	4.3
131.08563	5.8
133.06523	1.0
133.10117	4.9
135.11681	8.3
137.13232	2.5
142.07709	1.1
145.10135	2.3
147.08008	1.6
147.11697	6.3
149.09647	3.3
149.13306	2.3
157.10110	5.7
163.11195	2.4
164.14040	0.6
165.12753	2.0
173.09674	0.9
175.11179	6.0
193.12248	25.3
209.11789	1.6
211.13286	30.3
219.21094	1.5
227.12804	2.0
237.22050	5.3
239.23831	0.7
248.86719	0.7
267.15863	4.3
285.17026	1.1
293.70493	0.6
294.52457	0.8
311.25848	5.3
313.27435	0.8
333.03079	0.7
429.33780	0.8
503.37274	4.9
521.38403	100.0
522.38916	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	521.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.6
54.98023	1.3
55.01874	2.0
55.05512	25.6
56.96564	1.6
57.03435	7.6
57.07075	5.6
64.36233	1.3
65.03943	1.6
67.05505	35.2
69.03403	2.2
69.06716	1.4
69.07069	27.9
69.78455	3.0
69.78872	6.2
70.86211	1.3
71.04987	3.9
71.08623	3.0
79.05492	24.1
81.03419	29.4
81.07062	35.9
83.04980	7.0
83.08622	25.5
85.02914	17.4
85.06570	1.5
91.05476	20.9
91.06001	1.6
93.07038	18.0
95.04960	14.9
95.08616	24.2
97.02904	1.2
97.06544	2.4
97.10174	8.5
105.07031	11.1
107.04971	4.0
107.08589	12.2
109.06544	2.3
109.10172	12.2
111.08102	6.1
111.11736	2.8
115.05493	1.8
117.07051	1.8
119.08566	9.5
121.10133	13.9
123.08083	1.4
123.11726	4.8
125.09676	2.2
129.07001	6.4
131.08588	4.7
133.10123	7.5
133.60797	1.4
135.11693	8.5
137.09634	1.8
137.13184	3.5
145.10136	2.5
147.08040	1.6
147.11682	6.6
149.09653	3.0
149.13341	1.6
154.94177	4.9
157.10097	7.1
163.11212	1.9
172.95248	18.6
175.11241	5.5
184.43912	1.2
190.96315	13.4
193.12234	29.3
195.96837	3.0
209.11896	1.5
210.97731	2.3
211.13289	30.5
213.97971	2.1
219.21059	3.7
228.97906	7.0
233.11073	1.5
237.22182	6.3
246.99020	5.5
267.15997	9.0
275.19962	1.6
285.00598	1.8
303.01486	1.8
311.25827	6.8
349.23853	1.5
429.33801	3.5
437.92746	1.5
440.74725	1.8
447.18301	2.8
465.19278	5.7
503.37341	7.4
521.22144	12.5
521.38452	100.0
522.38275	1.7
545.81000	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.3339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.09266	1.1
55.01880	2.4
55.05510	10.5
56.96571	2.0
57.03436	4.5
57.07065	3.5
59.05005	1.2
65.03930	1.3
67.05508	39.2
69.03423	6.8
69.06702	0.8
69.07066	21.6
70.06592	3.0
70.93583	1.0
71.04993	6.6
71.59535	1.8
72.08166	1.5
73.02923	2.0
79.05491	10.9
79.41353	1.0
81.03413	2.4
81.07059	65.5
83.04990	4.4
83.08622	10.8
84.04518	1.2
85.02901	8.3
85.06549	6.5
86.09701	4.5
87.04450	1.4
91.05477	11.7
93.07047	26.9
95.04980	10.4
95.08607	39.2
97.02886	6.2
97.06546	5.8
97.10175	4.1
99.04447	2.7
99.08086	4.2
101.06023	2.0
103.03991	1.1
105.07041	15.4
107.04932	1.5
107.08595	21.6
109.02907	1.6
109.06517	5.4
109.10157	100.0
110.10476	1.3
111.08105	7.7
111.11740	2.7
113.05989	1.7
113.09715	1.3
117.07021	2.2
119.08575	14.5
120.08118	1.6
121.06513	1.7
121.10142	24.4
123.08074	2.7
123.11711	31.4
125.09639	5.4
127.03932	1.5
127.11204	9.3
131.04903	1.9
131.08574	4.5
133.10141	12.2
135.08057	1.8
135.11685	14.8
137.06021	3.5
137.09586	5.5
137.13248	5.5
139.11160	8.0
143.08508	2.2
145.04962	1.3
145.10141	7.0
147.11668	10.2
149.05910	1.2
149.09572	2.4
149.13252	10.3
151.11180	3.5
151.14792	2.6
153.12758	3.4
154.08791	1.3
155.10670	8.0
157.10121	2.3
159.11711	6.2
161.13255	7.3
163.07465	1.1
163.11172	3.3
163.14845	2.9
165.12778	5.6
167.10658	2.3
169.12306	1.4
171.11621	2.2
173.11728	6.5
173.13290	4.6
175.11308	1.4
175.14850	3.8
177.16287	2.8
181.12265	1.5
187.13213	2.0
187.14848	2.7
189.00897	1.2
189.16408	3.3
191.14333	3.3
192.14691	3.1
193.15883	1.8
199.11514	1.3
201.16322	2.7
203.17909	2.0
207.17479	1.2
209.15303	1.7
211.16881	1.6
213.05498	5.1
213.16338	2.7
215.18069	1.5
217.19489	1.2
217.43521	1.1
219.17352	1.3
227.17664	1.1
231.17415	1.8
235.20508	1.5
237.02856	1.4
249.18552	2.6
251.58817	1.3
252.09503	2.1
257.22632	1.7
269.22598	5.9
275.23657	2.7
287.23663	9.1
289.14771	6.6
289.65030	2.3
293.24750	10.0
297.16916	1.5
305.24750	37.3
308.51578	1.1
311.25931	2.3
323.25806	26.8
341.19202	1.3
341.26883	3.4
359.20270	3.1
386.90594	1.1
521.24847	26.0
522.24500	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	521.3323
Annotation	Antibiotic BU 2867TA
Peak:m/z	Relative Intensity
55.05508	15.3
57.03438	3.7
57.07059	5.4
59.04966	3.9
60.73623	3.0
63.00583	3.0
67.05510	33.5
69.03426	7.0
69.07070	39.4
70.66556	10.5
71.04979	18.5
79.05505	22.1
81.07056	100.0
83.04980	4.6
83.08620	16.3
85.02895	13.0
85.06516	7.7
86.09645	3.2
91.05470	14.2
93.07039	63.1
95.04980	26.1
95.08606	75.7
97.06519	10.7
97.10145	5.0
105.07030	23.4
107.08595	40.3
109.06529	12.2
109.10155	66.1
111.08069	7.5
111.11682	4.4
116.98650	3.0
119.08583	21.5
121.06523	4.0
121.10136	51.7
123.08089	4.8
123.11691	43.2
125.09620	5.2
125.13286	4.5
127.11206	5.5
131.08571	7.3
133.10103	19.7
135.08102	3.5
135.11687	35.8
137.05989	6.2
137.09613	8.6
137.13251	18.2
139.11198	7.6
141.12715	4.4
143.08562	4.6
145.10153	16.0
147.11653	21.8
149.09637	5.6
149.13251	21.3
151.11237	5.9
153.12752	4.0
157.10110	5.4
159.11684	13.4
161.13286	7.2
163.11183	10.8
163.14825	4.7
165.12721	8.1
169.12276	3.3
173.11810	4.9
173.13206	5.0
175.14825	5.3
177.12740	5.4
181.12250	6.6
189.16432	5.9
195.13828	5.0
199.14835	5.2
213.16446	4.0
221.18988	8.5
269.22647	10.8
275.50211	3.3
277.25366	4.3
287.23715	27.8
293.24704	13.5
305.24731	59.3
311.25894	4.9
323.25748	34.9
341.26743	4.5
369.94647	3.1
521.30194	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	521.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	17.1
57.03447	4.2
57.07069	7.6
59.04995	5.1
61.02901	4.1
63.34575	2.3
67.05507	29.7
69.03423	9.1
69.07073	47.9
70.14906	13.5
71.01326	3.2
71.04987	14.3
73.02904	3.3
79.05491	28.1
81.03409	5.7
81.07055	100.0
83.04963	5.8
83.08620	11.7
85.02898	7.5
85.06553	10.0
91.05459	18.8
93.07046	82.7
95.04968	22.6
95.08611	67.1
95.09076	1.7
97.06535	9.3
97.10170	6.0
98.21390	5.1
99.04447	3.0
103.49050	2.7
105.07027	29.7
107.08596	48.6
109.06509	8.5
109.10156	41.8
111.08073	7.6
111.11726	6.3
113.65173	2.6
117.07033	3.6
119.08589	23.0
121.06483	4.3
121.10149	71.5
121.11018	4.1
123.08076	7.4
123.11708	48.0
125.05949	2.9
125.09668	6.6
127.03971	3.8
131.08557	8.3
133.10155	19.2
135.08064	6.1
135.11699	25.9
137.09619	8.4
137.13246	7.7
139.07603	2.9
139.11143	10.6
143.19490	2.6
145.10101	15.4
147.11676	17.6
149.13272	14.7
151.11166	6.6
153.12709	4.4
157.10129	5.2
159.11679	12.5
161.13283	3.8
163.11212	10.6
163.14862	6.5
165.12833	4.4
167.10693	10.6
169.12167	3.3
173.13254	7.2
175.14847	6.0
177.16417	5.2
179.06744	2.8
181.12274	13.7
183.13828	4.4
187.14775	5.6
193.15840	4.3
203.17982	4.6
212.03984	3.0
229.19576	4.1
231.17509	3.5
259.24222	2.9
269.22641	10.1
277.25201	4.6
287.23700	29.3
293.24814	7.5
305.24719	66.1
323.25833	45.9
393.87857	3.3
459.14651	3.3
521.30768	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	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03945	0.5
59.08135	0.2
61.02951	0.2
69.03448	0.4
69.33459	3.0
70.06594	0.4
72.08148	0.4
75.96664	0.2
77.03931	0.5
79.05491	0.7
85.02911	1.2
86.09715	0.6
91.05492	1.0
91.49540	0.3
93.06995	0.3
95.04940	1.5
97.02889	0.3
102.04663	0.4
103.05473	49.7
105.07044	4.2
107.04975	0.3
107.74349	0.3
115.05463	1.0
119.04962	0.8
131.04933	100.0
132.05331	0.3
133.06493	3.1
137.05972	3.7
143.06062	0.5
147.04434	0.8
161.04614	0.4
161.05992	10.8
163.07550	34.3
175.07521	0.8
179.07077	0.5
187.07594	1.0
251.10655	0.3
262.04849	0.3
279.10010	0.5
286.92053	0.3
291.10068	0.4
311.12744	1.0
320.73727	0.3
326.21167	0.3
327.21579	0.5
341.13947	0.3
521.20477	1.5
521.29120	3.6
522.30267	0.5
534.34869	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	521.202
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02526	0.8
61.02931	0.9
61.40741	0.8
67.27834	0.8
69.03413	1.4
70.06593	1.4
71.58242	1.3
73.30183	0.9
79.05531	0.9
81.07038	1.4
85.02898	5.2
91.05478	4.8
93.07082	1.6
94.04174	1.4
95.04977	1.8
97.02868	2.1
103.05463	8.7
105.07040	4.4
107.04937	1.7
109.06520	5.2
115.05440	3.7
121.06517	2.5
122.03650	3.2
126.88132	0.8
127.03919	1.5
131.04924	16.0
133.06496	3.2
137.05971	75.2
143.04907	3.2
143.05951	1.1
145.05019	1.0
145.06436	1.4
146.03636	2.1
147.04451	1.7
147.08005	1.4
149.05981	6.5
151.03955	1.1
151.07561	1.5
153.07129	0.9
157.06508	0.8
160.05220	1.0
161.04637	1.6
161.05978	30.3
162.06760	3.3
163.07555	12.5
165.05673	0.9
165.07051	3.0
166.07791	1.7
174.06798	1.5
175.07533	13.1
177.07027	1.1
177.09084	1.4
178.07751	1.6
179.07120	1.7
179.08554	4.4
187.07549	7.5
189.07005	2.2
190.07797	3.8
191.06902	1.4
191.08560	17.2
193.06496	1.9
194.07278	9.1
195.08102	1.8
199.07553	2.6
202.07756	2.4
203.08543	3.2
205.06479	5.4
207.08051	5.3
208.08856	4.6
209.09607	2.6
211.07449	1.4
218.07272	4.0
219.08047	31.5
220.08838	6.5
221.05995	4.3
221.09747	1.6
222.06744	7.7
223.11346	1.1
224.08321	1.3
225.09219	1.9
231.08044	2.7
233.05978	2.3
233.09683	2.4
234.06879	1.3
235.07523	7.2
236.08322	7.9
237.09119	11.9
239.07040	2.3
239.10678	5.3
246.06750	1.8
247.07555	18.3
248.08286	5.7
249.05418	1.2
249.09187	3.4
250.06218	3.4
250.09834	0.9
251.07019	1.5
251.07977	1.5
251.10681	17.8
252.07657	1.2
253.08614	2.3
254.09608	0.9
258.43994	0.9
259.07620	1.6
260.08261	1.1
261.09180	2.7
263.07028	1.1
263.10571	2.0
264.07806	6.9
265.08575	37.4
267.10153	5.8
277.08743	1.8
278.09360	1.0
279.10156	50.6
280.10776	4.3
281.08163	3.7
281.11691	1.3
282.08884	2.0
282.26053	0.9
284.10233	1.0
285.11166	1.7
291.10114	9.9
295.09680	10.8
295.12872	1.3
296.10553	4.9
297.11203	37.1
299.09378	1.2
299.12769	26.9
309.11136	7.1
310.12000	14.3
311.12769	70.4
323.12729	10.7
329.13812	14.6
341.13824	100.0
359.14844	11.9
512.89191	0.9
521.20032	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	521.2026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36597	1.1
53.03120	1.4
55.61378	1.2
71.60637	2.5
77.24196	1.3
85.02896	3.1
91.05786	4.6
94.44530	1.1
95.04932	2.2
98.97574	2.0
103.05473	50.5
105.01215	1.7
105.07009	5.1
127.03910	1.8
131.04933	100.0
133.06506	3.3
137.05991	6.8
137.47711	1.3
161.05959	16.4
162.48524	1.4
163.07550	35.3
167.05505	1.6
179.03471	2.1
229.78867	1.4
265.08771	2.0
279.10205	2.0
301.05875	3.2
311.12799	4.3
341.13776	3.9
443.13556	2.6
486.96652	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	521.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	0.3
53.03951	0.6
55.01878	0.4
59.33181	0.2
69.03429	0.4
69.26872	0.7
69.27294	2.4
70.06595	1.0
70.56912	0.2
71.04970	0.3
72.08158	0.3
79.05496	0.4
81.03453	0.3
84.08168	0.3
85.02917	0.9
86.09688	0.5
91.05473	0.8
95.04965	1.6
97.02885	0.7
102.62757	0.3
103.05466	52.6
104.41302	0.2
105.07033	3.9
107.04970	0.4
107.08602	0.4
115.05452	0.9
119.04955	1.1
122.03600	0.2
131.04926	100.0
132.05276	0.2
133.06508	3.3
133.10109	0.2
137.05963	4.6
147.04375	1.3
161.05978	10.5
163.07544	31.0
164.07846	0.3
169.51494	0.2
172.05199	0.3
175.07562	1.4
179.06990	1.3
187.07545	2.0
191.08595	0.2
217.08549	0.7
224.50058	0.3
247.07545	0.3
279.10187	0.4
291.10056	0.7
299.09174	0.3
311.12817	0.9
323.12799	0.4
437.19189	0.3
443.13574	0.8
521.22028	0.6
521.29303	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02392	0.3
53.03945	0.5
59.08135	0.2
61.02951	0.2
69.03448	0.4
69.33459	3.0
70.06594	0.4
72.08148	0.4
75.96664	0.2
77.03931	0.5
79.05491	0.7
85.02911	1.2
86.09715	0.6
91.05492	1.0
91.49540	0.3
93.06995	0.3
95.04940	1.5
97.02889	0.3
102.04663	0.4
103.05473	49.7
105.07044	4.2
107.04975	0.3
107.74349	0.3
115.05463	1.0
119.04962	0.8
131.04933	100.0
132.05331	0.3
133.06493	3.1
137.05972	3.7
143.06062	0.5
147.04434	0.8
161.04614	0.4
161.05992	10.8
163.07550	34.3
175.07521	0.8
179.07077	0.5
187.07594	1.0
251.10655	0.3
262.04849	0.3
279.10010	0.5
286.92053	0.3
291.10068	0.4
311.12744	1.0
320.73727	0.3
326.21167	0.3
327.21579	0.5
341.13947	0.3
521.20477	1.5
521.29120	3.6
522.30267	0.5
534.34869	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	520.3404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55602	0.6
55.05506	1.6
56.05046	1.4
56.96568	1.0
58.06594	1.7
60.08165	15.8
64.14391	0.7
67.05511	5.5
69.03438	0.7
69.07059	1.6
69.89222	2.9
69.89636	1.4
71.07381	5.9
71.07726	1.0
75.66541	0.7
79.05494	1.3
79.64286	0.8
81.07041	4.1
83.08614	0.8
85.02894	1.1
86.09709	49.3
91.05455	1.4
93.07039	1.9
95.04985	0.9
95.08618	2.5
98.98478	2.8
104.10748	100.0
105.07023	1.5
107.08605	1.0
109.10158	1.0
121.10159	0.8
125.00011	26.5
129.47559	0.8
136.28024	0.7
163.01617	1.0
171.59918	0.9
175.64337	0.8
184.07349	96.1
258.10913	1.1
502.32996	8.5
520.33923	38.6
545.80682	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.34
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.5
56.05003	0.5
56.96546	0.4
57.03451	0.3
58.06607	0.3
60.07875	0.5
60.08161	5.2
61.02929	0.4
67.05503	2.1
69.07064	0.8
69.85622	1.3
69.86036	0.6
70.66631	0.3
71.07371	2.8
79.05477	0.4
81.07045	1.6
83.08603	0.8
86.09705	27.7
91.05444	0.4
93.07026	0.7
95.08605	0.8
97.02881	0.4
98.98450	2.8
104.10725	3.0
105.07004	0.3
107.08610	0.7
108.57134	0.3
109.10121	0.5
113.05910	0.3
124.99999	19.7
143.01039	0.4
184.07335	100.0
233.55429	0.3
276.19614	0.3
281.44067	0.3
324.55038	0.3
343.37186	0.3
345.98248	0.3
502.32773	1.4
520.33850	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	520.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.2
55.01870	1.1
55.05506	3.3
56.05038	0.5
57.03435	11.3
59.04998	1.3
60.04519	1.3
61.02932	1.4
67.05497	1.5
69.03433	3.8
69.07075	0.9
69.79099	0.5
70.06596	0.8
70.85191	0.9
70.85526	0.6
71.01361	0.6
71.04991	88.6
72.04541	0.4
72.08155	0.9
73.02924	2.2
75.04475	3.4
79.05486	1.7
81.03426	1.2
81.07063	3.0
82.06586	0.8
83.04976	11.8
83.08624	0.4
84.04502	1.0
85.02901	100.0
85.06561	0.5
86.06084	1.1
86.09716	1.5
87.04469	2.1
91.03929	0.5
91.05440	2.2
93.07053	1.9
94.06585	1.0
94.79802	0.5
95.04979	1.5
95.08615	1.6
97.02880	2.8
97.06505	0.6
99.04443	3.0
101.06016	0.9
103.03982	0.6
103.05460	4.5
105.07024	2.9
107.04948	6.5
107.08620	1.3
108.08091	0.9
109.02905	0.7
109.06512	0.7
109.10168	1.5
111.04432	3.7
115.05441	1.0
116.10719	0.9
117.07018	1.4
119.04911	0.6
119.08575	1.2
120.05714	0.4
121.10159	1.1
123.04404	0.7
123.11738	0.5
125.09632	0.5
127.03909	3.1
129.05478	40.7
130.04984	2.1
131.04936	1.2
131.08522	0.9
133.06480	0.6
133.10092	0.8
135.08069	5.2
135.11665	1.1
136.07550	0.5
137.05971	2.7
139.03880	2.1
142.08650	1.7
144.06551	1.6
145.05005	2.4
145.06480	1.7
146.08102	3.6
147.06520	15.5
147.07721	0.9
147.11713	0.7
149.05951	0.5
154.06244	20.5
154.08528	2.5
159.07881	0.6
159.11644	0.6
161.05962	0.7
162.07664	2.2
163.07535	18.5
164.09206	6.2
167.05664	0.5
167.07033	1.5
172.09669	0.6
173.05986	2.0
175.07568	1.2
180.08928	2.9
187.07607	0.5
191.14276	0.7
193.08621	1.0
195.10161	64.0
196.10513	0.5
205.08569	1.1
207.06433	0.6
207.10150	4.3
213.09007	0.9
219.10143	2.1
221.08089	2.5
222.09727	0.5
223.09589	1.0
237.18474	0.5
245.11656	0.9
255.10439	0.5
259.13287	2.2
260.14941	1.4
261.11169	1.1
269.08090	0.4
271.06052	3.2
272.06335	5.7
281.92517	0.4
287.12747	2.6
288.56931	0.5
296.15125	0.4
297.11157	1.9
300.06360	0.6
305.13837	9.4
308.13293	1.2
309.11774	0.7
309.16281	0.4
326.14310	1.6
334.86325	0.5
373.17715	0.7
390.27414	0.5
397.35358	0.5
422.20856	0.6
448.30377	0.6
461.13791	0.4
466.31686	1.9
520.24005	1.4
520.31854	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
57.03429	0.5
67.05495	1.9
69.03429	0.9
69.07072	2.5
70.06590	2.1
70.87659	0.7
71.04993	1.0
72.08138	0.5
79.05502	2.0
81.03434	0.9
81.07058	4.4
83.04996	0.7
83.08611	0.5
85.02911	1.7
85.06541	0.5
86.09708	1.5
91.05435	0.9
91.05875	0.5
93.07057	2.2
95.04957	1.3
95.08594	3.1
97.02880	1.3
97.06511	0.9
99.04478	0.5
105.07054	1.8
107.04960	0.6
107.08622	2.3
109.06507	1.2
109.10159	4.4
119.08569	2.3
121.06561	0.6
121.10171	3.0
123.08113	0.5
123.11696	2.4
125.09656	0.5
127.03932	0.7
131.08525	0.5
133.10146	2.1
135.08101	0.5
135.11681	1.0
137.05989	3.0
137.09610	0.6
137.13269	0.5
139.11189	0.7
143.08591	0.4
145.10179	1.0
147.11707	1.1
149.09662	0.6
149.13261	0.6
153.12787	0.5
157.10123	0.7
159.11673	0.8
161.05962	0.5
163.11226	0.5
167.05606	1.4
167.06950	0.4
175.14891	0.8
177.12776	0.7
191.14265	0.7
197.13210	0.5
229.63763	0.4
251.08653	0.7
267.00128	0.5
267.20981	0.5
285.22159	0.6
288.14081	1.4
289.65012	0.5
299.06268	2.5
303.23209	2.0
321.24283	2.8
339.25427	0.9
357.09799	1.3
357.18927	3.2
448.15182	1.0
459.21640	0.9
485.41919	0.4
487.21375	1.3
519.24176	100.0
520.24609	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	519.2419
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94397	0.3
55.05505	1.0
57.03437	0.4
61.02920	0.4
62.25161	0.3
67.05502	1.7
68.11490	0.3
69.03426	1.0
69.07070	1.0
69.81701	1.9
70.06596	0.9
71.04996	0.4
72.08154	0.6
72.93776	0.4
79.05488	0.8
81.03418	0.6
81.07051	3.1
83.05006	0.4
83.08643	0.4
85.02907	1.4
86.09700	1.1
91.05460	0.7
91.05862	0.4
93.07030	1.6
95.04988	0.8
95.08582	1.6
97.02909	0.7
97.06551	0.9
98.21476	0.6
105.07030	1.5
106.07468	0.3
107.08598	1.1
109.06503	0.7
109.10159	2.8
111.08089	0.6
119.08581	1.4
121.06519	0.3
121.10175	2.1
123.11722	1.0
125.05997	0.4
125.09639	0.4
127.03941	0.4
130.21338	0.3
131.08568	0.6
133.10146	0.9
135.08084	0.4
135.11682	0.6
137.05986	4.7
137.09637	0.7
145.10120	0.5
147.11737	0.7
151.07603	0.3
152.25887	0.3
157.10083	0.5
159.11617	0.7
161.13341	0.3
163.11211	0.7
167.05568	0.5
173.13301	0.4
175.11267	0.5
175.14885	0.4
177.12679	0.4
178.51630	0.4
179.14484	0.3
203.05284	0.7
205.15878	0.4
239.03682	0.4
241.19766	0.3
259.07898	1.2
265.05313	1.2
265.08173	0.3
283.06259	5.4
284.06439	0.5
285.22180	0.6
287.13150	0.5
299.06158	1.5
301.07382	1.3
303.23199	1.2
306.07898	0.5
321.24268	1.6
339.08960	1.3
339.25323	0.3
344.97873	0.4
357.09927	1.2
357.18927	2.6
443.18826	0.4
459.22025	0.6
469.20645	0.3
487.21350	1.2
519.24182	100.0
520.24872	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	519.1136
Annotation	Apigenin 7-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
55.05488	0.2
67.01833	0.3
67.05458	0.3
67.05787	0.1
68.99784	0.3
69.03382	0.3
69.07031	0.2
70.27194	0.3
71.04962	0.1
79.05451	0.2
81.03372	0.2
81.07066	0.6
83.04990	0.1
85.02889	0.4
86.09710	0.1
91.05379	0.3
93.07028	0.4
95.04928	0.2
95.08588	0.5
97.02883	0.2
97.06500	0.2
97.10098	0.1
105.07008	0.2
107.08566	0.2
109.02881	0.1
109.06500	0.2
109.10107	0.2
111.08077	0.1
117.06945	0.1
119.04940	1.5
119.08540	0.2
121.02863	0.4
121.10104	0.3
123.08055	0.1
123.11658	0.2
127.03860	0.2
131.08540	0.1
133.10106	0.2
135.08023	0.1
135.11717	0.1
137.05937	0.3
137.09601	0.1
139.11185	0.1
143.08539	0.1
145.02803	0.5
145.10097	0.1
147.11685	0.2
151.11131	0.1
153.01823	3.4
157.10042	0.1
159.11609	0.1
161.05910	0.1
161.99590	0.1
163.03931	0.4
167.05530	0.1
171.02884	0.7
187.04004	0.1
187.14760	0.1
203.07065	0.1
225.05441	0.3
229.04945	0.3
243.06552	0.3
247.06088	0.1
253.04971	0.1
254.05676	0.1
266.99820	0.1
271.06006	100.0
272.06332	1.4
287.05670	0.1
299.06247	0.3
303.23230	0.2
309.24023	0.1
321.24158	0.2
335.12479	0.1
339.25247	0.1
344.97702	0.1
425.47833	0.1
433.11313	1.6
455.70987	0.1
475.12436	0.2
501.10400	0.2
501.17853	0.1
519.11420	3.8
519.18457	0.2
519.24561	0.1
519.31079	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.1
58.06588	1.2
60.08165	18.3
60.08673	0.9
67.05499	4.7
69.07063	1.6
70.33966	1.3
70.34377	2.3
71.07375	7.0
79.05491	2.9
81.03408	1.0
81.07050	2.9
86.09708	53.7
91.05467	1.6
93.07046	2.6
95.08596	3.0
97.10173	0.8
98.98481	2.8
104.10748	100.0
105.07051	1.2
107.08600	1.7
109.27740	0.8
117.03441	0.9
121.10164	1.1
125.00013	27.2
145.02872	2.6
158.89165	0.8
161.63551	0.8
167.25218	0.8
177.05528	5.3
183.23775	0.9
184.07349	99.4
192.67943	0.7
204.71416	0.8
205.12657	0.8
258.11017	1.2
291.19321	0.9
309.05576	0.8
439.25272	0.9
500.31277	11.4
504.49176	0.8
518.32440	41.4
519.32971	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	518.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01876	9.5
55.05503	1.8
57.03439	19.5
59.04997	1.6
61.02933	17.4
61.03221	2.3
67.05515	2.6
69.03075	2.1
69.03429	31.1
69.07059	2.1
69.99607	7.1
71.01343	6.0
71.04993	3.3
73.02920	81.0
77.57843	1.1
78.87362	1.5
79.05495	21.2
81.03423	10.0
81.07047	3.0
83.04969	2.3
85.02908	96.3
85.06547	30.9
85.07066	1.7
87.04479	5.5
88.67826	1.2
91.03970	4.3
91.05467	2.3
93.07062	2.7
95.04980	6.8
95.08628	2.7
97.02896	63.3
97.06548	1.6
97.10177	1.3
99.04456	4.6
101.02345	1.4
103.03953	4.0
105.01857	1.4
105.03394	36.6
105.07035	2.9
107.08628	2.2
109.02898	7.3
109.06512	4.6
109.53004	1.1
113.05965	1.7
115.03938	39.6
119.08561	1.9
121.06549	2.8
123.04436	100.0
127.03918	32.8
131.04817	1.2
133.04961	44.0
133.10184	1.4
135.08052	3.6
137.05977	1.3
141.05495	1.6
143.03395	1.5
145.04959	54.7
150.07625	3.7
153.09126	2.4
157.05083	1.7
163.06039	23.0
163.07419	1.8
181.08592	2.9
189.09137	9.9
199.06070	2.7
199.09674	13.0
204.08626	1.9
207.10216	1.9
211.09702	1.7
217.07144	1.8
217.10719	3.6
217.15948	3.1
219.06540	5.4
223.06009	7.9
229.10645	5.8
241.07103	8.2
256.15625	1.2
259.08124	9.6
271.05881	2.1
277.09296	2.8
285.09634	5.7
295.10370	6.9
435.24026	1.4
483.22607	1.5
518.30066	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	518.151
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	3.8
69.03416	5.6
71.59455	2.2
81.03413	5.0
85.02912	31.4
97.02907	11.0
104.84505	1.7
111.91437	1.7
127.03911	7.0
145.04942	6.9
147.04420	8.7
149.02332	4.0
158.32242	1.6
159.04330	1.8
163.03929	11.4
175.03935	2.8
176.21631	1.8
177.01866	4.4
179.03423	1.7
187.03894	2.5
189.05402	2.6
203.03403	100.0
204.73398	1.5
205.04994	7.2
215.03369	7.5
219.48549	1.7
229.04929	2.4
231.02896	12.7
233.04436	5.3
261.03931	10.9
279.04987	21.5
288.25339	1.8
291.05017	22.6
321.05975	9.2
339.07132	49.1
356.09808	3.4
357.08206	2.2
363.13104	1.9
392.57959	1.7
518.14990	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	517.3892
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05515	10.1
57.07080	1.9
67.05508	19.2
69.07069	10.3
69.80945	1.1
71.60178	2.2
79.05492	17.6
81.07063	26.4
83.08611	4.2
85.06559	2.6
91.05486	13.8
93.07060	21.0
95.04960	2.4
95.08620	18.4
97.06554	1.9
97.10170	2.8
105.00255	1.4
105.07034	16.7
107.08601	10.7
109.10149	9.1
117.07049	4.4
119.08596	15.4
121.10158	10.9
123.11720	3.3
128.06203	1.3
131.08563	12.0
133.10155	10.7
135.11717	7.0
143.08598	2.9
145.10115	10.4
147.11700	8.2
149.13322	5.6
150.01640	1.4
157.10103	3.2
159.11685	9.7
161.13248	6.9
163.14880	1.5
171.11731	4.5
173.13263	8.1
175.14853	2.5
183.11749	2.7
185.13312	2.9
187.14842	3.3
197.13319	2.1
199.14911	2.1
201.16423	2.1
241.17982	2.1
259.20584	2.5
273.76169	1.6
287.23804	1.6
289.56409	1.4
308.56189	1.6
313.25726	1.6
333.24481	1.9
407.33145	3.2
425.34052	8.2
425.55237	1.7
443.35580	4.9
461.35989	1.7
499.37970	16.5
517.38928	100.0
518.39294	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	517.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57700	0.9
53.03936	1.5
53.11114	1.1
55.01871	1.6
55.05514	8.1
57.03441	2.1
67.05506	18.8
69.03421	1.2
69.07076	10.6
71.05003	2.0
71.59441	1.5
73.55209	1.0
74.89189	1.0
77.90087	1.1
79.05496	15.8
81.07060	22.4
83.05007	2.1
83.08612	5.0
85.06545	1.3
91.05481	13.6
91.60064	1.0
93.07044	20.3
95.04945	2.5
95.08610	20.8
97.06526	1.7
97.10168	4.1
99.08129	1.4
105.07030	16.8
107.08598	13.3
109.10159	10.5
111.08064	2.3
117.07029	6.3
119.08579	17.3
121.10160	9.4
123.08098	1.0
123.11735	2.3
125.09690	1.6
128.67023	1.0
129.07004	2.0
131.08553	11.4
133.10132	13.0
135.11705	7.6
143.08623	2.2
145.10127	11.7
147.11711	8.3
149.09554	1.0
149.13287	3.8
155.08662	1.1
157.10097	5.1
159.11685	8.4
161.13231	6.9
163.11269	1.3
163.14841	2.9
169.10243	1.2
171.11739	4.2
173.13269	7.5
175.14864	3.5
183.11826	2.5
185.13310	3.1
187.14839	3.2
197.13402	1.7
199.14821	3.3
201.16403	2.0
211.14836	2.2
213.16493	2.1
215.18036	2.1
227.18111	1.5
241.18031	2.2
259.20639	3.1
273.22107	1.7
285.22269	1.3
287.23712	1.4
293.21558	1.1
301.25452	1.2
320.16425	1.1
407.33209	2.6
419.31845	1.4
425.34210	11.1
443.35361	4.0
481.36993	1.1
499.38037	13.8
517.38977	100.0
518.39496	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	517.389
Annotation	Wilforic acid D
Peak:m/z	Relative Intensity
55.05510	12.1
57.03433	4.4
64.10223	1.8
67.05510	24.0
69.07082	8.4
71.59313	3.1
72.59834	1.7
79.05506	17.1
81.07070	26.0
83.08638	4.6
91.05478	14.2
93.07053	21.8
95.08611	20.6
97.06543	2.0
97.10207	3.1
105.07041	22.2
107.08620	14.6
109.10146	10.3
111.08089	3.2
117.07051	5.7
119.08593	16.5
121.10172	7.1
123.11683	2.4
129.07051	3.3
131.08571	13.0
133.10152	15.2
135.11731	5.5
142.07777	2.5
143.08571	4.8
145.10147	10.5
147.11690	9.4
149.09682	2.1
149.13271	2.4
157.10165	4.6
159.11758	8.4
161.13322	4.7
163.14890	2.4
169.10197	2.9
171.11794	6.0
173.13304	6.4
175.14842	3.4
185.13298	3.8
187.14900	4.5
201.16386	2.1
239.27603	2.0
241.18005	2.6
259.20544	2.5
285.22644	1.9
313.25287	2.7
405.30347	3.2
407.33405	2.7
425.34360	8.2
443.35556	2.7
499.37888	14.3
517.38867	100.0
518.39307	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	517.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.1
55.05494	2.6
56.96555	1.0
57.03413	0.9
59.04992	1.3
61.02917	0.7
67.05501	4.5
69.03429	7.0
69.07070	4.2
69.67837	2.0
69.68263	2.7
70.06576	1.9
71.04994	6.4
75.24038	0.6
76.28673	0.6
76.36952	0.6
78.30555	0.7
79.05469	2.7
81.03402	1.7
81.07059	9.3
83.04973	6.6
83.08593	1.9
83.44576	0.6
85.02906	9.5
85.06532	1.5
86.09704	1.9
91.05475	2.6
93.07047	5.4
95.04955	2.2
95.08605	15.2
97.02892	2.3
97.06541	4.0
97.10188	0.9
98.20747	1.2
98.97522	0.9
99.04419	0.8
99.08073	2.8
101.56206	0.6
105.07024	3.2
107.04963	1.2
107.08598	19.2
109.06517	4.1
109.10155	13.0
110.64288	0.6
110.86816	0.6
111.04478	0.7
111.08080	1.6
113.09581	0.7
117.07027	1.2
117.95213	0.6
119.08562	1.9
121.06485	2.1
121.09322	1.0
121.10146	17.2
121.11018	1.0
123.08063	2.8
123.11693	2.6
125.09629	10.3
127.03897	1.0
129.05495	1.3
131.08565	2.9
133.10133	7.8
135.08049	7.6
135.11668	3.8
137.09584	3.1
139.11172	3.7
143.08537	1.0
145.04961	1.2
145.10086	2.0
147.11700	5.9
149.09631	6.2
149.13251	10.0
151.11183	49.4
153.09114	1.8
155.30498	0.7
158.11000	1.1
159.11679	1.0
161.09648	0.7
161.13330	0.8
163.13823	0.6
163.14854	8.3
165.12802	3.5
167.10793	0.8
171.10162	0.9
173.13269	9.1
185.62762	0.6
189.12807	0.7
191.14307	50.4
209.15366	100.0
229.34732	0.7
287.05515	1.0
301.21600	0.9
307.22876	0.8
319.22653	2.7
332.11340	1.3
337.23712	2.9
371.20587	3.3
403.62366	0.7
406.93921	0.7
467.28714	0.7
499.26904	1.2
511.06937	0.7
517.21326	2.4
517.29077	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2646
Annotation	Eriojaposide B
Peak:m/z	Relative Intensity
53.03946	0.6
55.01876	0.9
55.05510	3.1
57.03441	1.2
57.07069	0.9
58.16425	0.7
59.04998	1.1
65.88546	0.6
67.05516	3.9
69.03131	0.6
69.03433	6.5
69.07068	5.3
69.91311	4.0
70.06582	2.4
71.04996	7.3
72.08143	0.6
73.91483	0.8
76.14214	0.6
79.05500	4.1
81.03393	2.1
81.07060	6.6
83.04987	6.8
83.08615	2.6
84.04490	1.1
84.08135	0.7
85.02911	8.7
85.06559	1.4
86.09719	1.5
91.05469	2.9
92.49446	0.8
93.07046	5.3
95.04951	3.2
95.08044	1.1
95.08614	15.1
97.02912	2.1
97.06515	2.8
97.10199	1.4
99.04429	1.3
99.08099	2.7
102.05513	0.6
105.07036	4.4
107.08598	19.7
109.02840	0.6
109.06514	4.1
109.10160	12.9
111.04382	0.9
111.08076	2.0
116.79701	0.7
119.08606	3.4
120.08078	0.7
121.06520	2.1
121.09317	1.2
121.10154	19.5
123.08078	2.8
123.11699	2.8
124.39390	0.7
125.09643	10.9
127.03907	1.1
131.08528	3.9
133.10136	7.8
135.08043	7.2
135.11670	4.0
137.05989	1.0
137.09616	4.1
139.11165	3.9
143.08553	1.0
144.83347	0.6
145.10101	1.6
147.11688	5.6
149.09631	8.7
149.13260	11.2
151.11189	47.8
152.11508	0.8
153.09106	2.1
157.10155	1.1
158.10889	1.4
159.11702	1.3
163.14812	9.7
165.12730	4.6
171.10213	0.7
173.13275	9.0
177.08977	0.7
191.14314	48.2
202.49709	0.6
209.15376	100.0
210.15897	0.8
229.15465	1.3
301.21530	1.1
307.22763	0.8
319.22708	2.3
337.23737	2.7
355.24994	0.7
371.20526	2.8
499.26749	1.0
517.21100	3.2
517.29102	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	516.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.0
55.05516	4.0
56.96537	0.9
57.03412	1.3
58.98737	0.7
61.02934	0.9
62.06066	1.6
63.60910	0.6
67.05504	5.7
69.03432	1.2
69.07064	1.7
70.06577	1.4
71.04973	0.8
71.08639	5.6
71.60337	0.6
71.60768	1.1
72.08158	4.0
79.05495	6.0
81.03414	1.4
81.07066	5.8
83.04943	0.9
83.08598	2.0
84.04484	0.8
84.08122	1.9
85.02909	1.6
86.06071	13.4
86.06589	0.9
87.04425	0.9
89.11091	0.7
91.05471	3.1
93.07047	4.7
95.04984	1.1
95.08601	3.0
96.08132	6.6
97.02908	1.2
97.06535	1.0
97.10158	1.0
98.06053	1.9
98.09689	6.7
98.97533	0.7
99.08081	2.8
105.07015	1.5
107.04972	1.1
107.08604	5.0
108.05162	0.7
108.08122	4.2
108.08755	0.9
109.06519	1.5
109.10177	3.6
110.09694	0.9
111.08064	1.7
114.09184	1.2
116.10735	47.5
117.07033	2.2
119.08567	1.6
121.06551	0.7
122.09651	3.0
123.08052	0.7
124.07589	2.0
125.09624	2.2
126.09166	1.5
132.04480	0.8
135.08043	4.0
136.11205	0.9
140.10631	0.9
142.08615	3.1
142.12286	1.0
143.10666	7.2
145.10127	1.0
152.10622	1.0
153.09090	1.5
154.15889	2.4
163.07594	0.9
166.15872	1.6
168.17406	0.8
171.10118	1.6
178.15926	1.4
187.14761	1.5
196.17004	6.5
198.14951	1.1
199.13245	2.0
210.18547	1.9
212.16470	0.8
214.18025	100.0
222.18575	2.1
234.18559	1.3
252.19595	3.6
261.13339	0.7
268.19089	2.1
270.20654	18.8
270.23511	1.3
285.10153	0.9
286.20270	0.9
312.21680	1.3
314.19537	2.4
328.21173	0.9
332.20709	7.8
350.27069	0.7
368.27832	2.7
374.21634	7.4
400.19562	1.4
412.27094	0.8
418.20715	68.2
419.21106	1.4
430.27975	2.1
472.16693	1.3
472.28827	3.2
498.27020	3.2
516.20270	1.2
516.28143	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.9
55.01870	1.0
55.05518	4.9
56.71087	0.6
57.03431	1.8
61.58659	0.7
62.06084	2.2
64.19568	0.6
65.78620	0.6
67.05511	9.8
69.03408	1.9
69.07078	3.8
69.56760	4.8
70.06596	1.2
71.08636	6.4
72.08160	5.0
73.02900	0.7
76.00994	0.6
79.05499	9.5
81.03412	1.0
81.07056	7.7
83.08614	1.8
84.04506	1.4
84.08147	2.7
85.02906	1.6
85.06506	0.7
86.06073	17.2
87.04470	0.9
91.05492	3.7
93.07051	6.1
95.04956	1.4
95.07323	0.7
95.08572	4.7
96.08134	9.4
97.06538	1.8
97.10181	1.3
98.06068	2.3
98.09689	10.0
99.04423	1.3
99.08090	3.0
105.07024	2.0
107.04939	1.9
107.08594	6.3
108.08148	5.3
109.06518	1.5
109.10143	5.7
110.09679	1.1
111.08083	3.2
114.09151	1.7
115.05434	0.9
116.10734	65.1
117.06995	3.4
119.08574	2.4
121.10175	1.4
122.09663	5.6
124.07579	2.4
125.09628	3.0
126.09157	1.5
131.08565	0.6
133.10104	1.3
134.09679	0.9
135.08063	5.3
136.11221	1.4
137.09624	1.1
138.09148	1.5
139.09879	0.9
140.10730	0.8
142.08649	5.2
142.12279	1.6
143.10667	9.4
145.06526	0.7
145.10127	0.8
150.12788	0.7
153.09145	2.1
154.15887	2.8
166.15895	1.5
171.10167	2.0
178.15923	1.0
181.08598	0.9
182.26416	0.7
187.14854	1.4
196.16985	7.0
198.14926	1.0
199.13338	2.8
210.18532	2.2
212.16412	1.1
214.18024	82.8
215.18228	1.1
220.17073	0.9
222.18515	1.1
224.20114	0.9
233.19089	2.1
234.18446	0.8
250.18150	1.2
252.19583	5.7
268.19141	2.4
270.20654	25.6
286.20068	1.6
296.18567	1.6
314.19595	3.5
328.21094	0.9
332.20706	12.4
350.26978	0.8
356.20490	1.6
368.27957	3.6
372.20050	1.0
374.17395	1.1
374.21771	11.6
397.78845	0.7
400.19653	2.6
411.36258	0.8
418.20715	100.0
419.20993	0.8
430.27979	2.9
472.17026	1.8
472.29089	4.5
498.26932	3.3
516.20221	1.2
516.28143	19.5
516.35107	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	516.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86304	0.3
53.03955	0.4
53.42878	0.3
54.92037	0.4
55.01858	1.0
55.05516	4.2
56.05017	0.5
56.96549	0.4
57.03431	1.7
57.07066	0.4
61.02924	0.9
62.06075	1.2
65.03937	0.4
67.05502	9.6
69.03428	1.0
69.07053	1.6
69.74697	2.1
70.06586	1.6
71.04990	1.1
71.07358	0.5
71.08633	2.8
72.08154	3.8
73.02927	0.8
79.05490	7.1
81.03420	0.5
81.05787	0.8
81.07050	6.4
83.04974	1.1
83.08618	1.9
84.04516	0.9
84.08138	1.6
85.02915	1.0
85.06547	0.8
86.06065	15.8
87.04463	1.1
91.05477	3.3
93.07043	5.3
94.06554	0.5
95.04954	1.4
95.08604	2.6
96.08131	7.3
97.06524	0.8
97.10153	1.2
98.06057	1.5
98.09685	8.2
98.21492	0.6
99.04440	0.4
99.08072	1.9
105.07013	1.8
107.04935	1.0
107.08597	5.5
108.08119	3.1
109.06515	1.3
109.10146	4.7
110.09675	1.1
111.04414	0.4
111.08085	2.4
112.07607	0.6
113.08383	0.6
114.09151	1.2
115.03877	0.4
116.10728	55.2
117.06989	2.6
119.08583	1.7
120.08125	0.4
121.06495	0.7
121.08896	0.6
121.10091	0.4
122.09669	2.5
123.08049	0.4
124.07588	2.7
125.09629	2.4
126.09135	1.3
131.08583	0.6
133.10127	0.8
134.09665	0.7
135.08060	4.4
136.11209	0.8
137.06052	0.3
137.09615	0.5
138.09146	0.8
140.10715	1.0
142.08638	5.4
142.12279	2.2
143.10675	7.4
145.10106	1.1
148.58598	0.4
152.10724	0.9
153.09126	1.8
154.15927	0.4
158.11803	0.4
163.07533	0.8
171.10181	1.6
173.11923	0.4
173.13235	2.0
181.08585	0.8
186.14836	0.4
196.16969	0.4
197.11671	0.4
199.13232	2.3
206.15401	0.5
210.18538	2.3
214.18024	12.0
220.17058	0.5
222.18520	2.3
224.20099	0.7
232.16895	0.5
234.18571	1.8
236.16541	0.4
238.18112	0.5
250.18001	1.2
252.19553	6.1
256.19067	0.7
259.40521	0.3
268.19107	2.9
270.20642	25.2
286.20013	1.8
296.18561	1.1
310.19919	0.6
312.21689	1.5
314.19589	3.5
328.21225	1.4
332.20645	11.3
350.12637	0.3
350.26941	1.2
356.20599	0.7
368.28018	2.4
372.20242	0.6
374.21732	11.6
400.19553	3.0
412.26813	0.4
418.20700	100.0
419.20929	0.9
430.27997	2.9
454.27921	0.8
472.16949	0.6
472.29065	4.1
498.27139	3.1
516.28040	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	516.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	1.1
55.05519	4.1
56.05027	1.2
57.03432	1.1
66.90092	0.7
66.92831	0.7
67.05507	5.6
69.03413	1.3
69.07056	2.3
70.06587	1.9
71.04990	0.9
71.08623	3.3
72.08144	3.1
74.26783	0.6
74.52396	0.8
79.05492	6.9
81.03417	0.9
81.07056	6.0
83.04964	1.2
83.08593	1.5
84.04505	0.7
84.08141	2.0
85.02895	2.7
86.06069	17.9
86.09692	0.9
87.04454	0.9
91.05480	2.2
93.07034	4.1
95.04945	1.1
95.08596	4.0
96.08120	5.1
97.06551	1.5
97.10145	1.3
98.06054	1.2
98.09689	8.8
99.08096	1.5
105.07041	1.5
107.04983	1.6
107.08578	5.9
108.08107	2.6
109.06528	1.1
109.10170	6.2
111.08109	1.6
114.09167	1.3
116.10730	57.0
117.07007	2.0
119.08575	1.6
121.06484	1.0
122.09695	3.5
123.08070	1.1
124.07598	2.3
125.09650	2.3
126.04002	0.6
126.09189	1.1
127.03918	0.8
133.10080	1.2
135.08070	4.3
136.11214	1.1
140.10721	0.8
142.08653	1.7
142.12257	1.1
143.10641	6.9
145.06488	1.1
145.10123	1.0
153.09100	2.6
155.10651	0.7
163.07556	1.5
173.13226	1.6
181.08589	0.7
199.13263	1.2
210.18568	0.8
214.18013	11.1
215.12779	1.7
222.00880	0.7
226.18124	1.1
238.18011	1.3
240.19524	0.8
250.18040	1.6
252.19678	2.0
256.15411	0.9
256.19131	3.6
268.19052	5.9
270.20685	5.2
286.20123	20.3
312.21637	2.7
314.19669	1.7
332.20596	6.9
348.67618	0.7
356.20667	2.0
366.26288	0.7
374.21765	8.9
400.19614	1.8
418.20712	100.0
419.20782	1.8
422.21616	0.8
426.11050	0.7
430.27841	0.9
472.16711	1.4
472.29092	3.7
498.26950	3.7
498.33624	0.8
516.21057	2.6
516.27966	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.8
55.01865	2.0
55.05511	12.6
57.03435	3.3
57.07079	1.4
65.19228	1.2
67.05169	2.3
67.05506	33.6
69.07079	11.1
69.91587	2.8
69.91988	5.8
71.04993	2.0
78.85159	1.2
79.05497	30.5
81.07061	26.3
83.04993	5.2
83.08619	4.5
85.06551	2.7
91.05485	16.7
93.07047	32.8
95.04953	4.6
95.08614	16.9
97.06520	4.4
97.10173	3.5
105.07038	12.1
107.08598	17.6
109.06502	2.2
109.10187	6.6
111.08038	1.7
112.63626	1.3
117.07027	5.7
117.80011	1.2
119.08595	11.0
121.06562	1.4
121.10150	11.4
123.11728	2.1
123.89140	1.2
125.09646	1.4
129.07007	2.0
131.08560	10.7
133.10130	8.1
135.11700	19.6
137.09538	1.3
141.07008	1.8
143.08569	4.5
145.10106	13.2
147.11755	3.7
149.13255	2.3
151.61685	1.5
153.12764	1.5
155.08595	2.9
157.10178	4.5
159.11711	7.1
161.13272	2.2
163.11160	1.7
169.10109	2.8
171.11717	3.7
173.13287	5.0
181.12263	3.0
183.11716	2.3
185.13286	4.2
187.14810	2.6
195.11720	2.4
199.13210	1.4
199.14845	1.7
211.14978	1.4
213.16388	1.6
217.99231	1.2
220.87823	1.2
261.22208	2.5
405.31445	2.3
416.58191	1.3
423.32599	5.6
441.33801	2.4
497.36261	3.1
515.37354	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	515.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.4
55.01857	1.4
55.05512	15.0
57.03428	3.3
57.07052	1.9
65.03944	2.4
67.05502	39.7
69.07069	12.4
69.98343	1.6
69.98758	4.6
71.01350	1.7
71.04973	1.9
74.90562	1.0
79.05491	36.9
81.03433	1.5
81.07059	32.0
83.04974	4.4
83.08609	5.7
85.06529	2.2
91.05481	21.1
93.07040	41.8
93.07628	2.4
95.04978	6.8
95.08611	20.0
97.06521	4.8
97.10157	5.5
98.21441	1.1
99.08108	1.1
103.05475	0.9
105.04549	1.2
105.07039	14.0
105.91657	1.2
107.08591	23.1
109.06450	1.0
109.10163	8.0
111.08051	1.7
117.07053	7.2
119.08566	10.2
121.10147	15.1
123.11676	1.8
125.09644	1.9
129.06981	2.2
130.07796	1.6
131.08568	9.6
133.10132	8.6
135.11685	28.1
137.09558	0.9
143.08566	3.9
145.10120	12.1
147.11682	4.3
149.13271	3.3
153.12711	3.1
155.08571	2.2
156.11574	1.1
157.10051	2.5
159.11722	5.9
161.13234	2.5
163.11182	3.8
171.11714	2.9
173.13287	6.2
181.10184	1.3
181.12180	4.8
183.11699	2.2
185.13240	2.1
187.14819	1.8
199.14871	2.0
201.16444	1.1
209.13385	1.0
235.39554	1.0
261.22229	3.7
317.24661	1.3
405.31644	1.2
423.32419	5.2
497.36484	4.8
515.37335	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	515.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	19.5
57.03428	12.7
61.02929	5.3
63.45542	3.5
65.03934	4.6
67.05511	76.9
69.03422	13.9
69.07081	19.5
71.04980	6.6
71.59498	6.5
73.02925	4.7
79.05491	58.5
81.03417	11.2
81.07062	100.0
83.04969	10.2
83.08611	15.3
85.02895	8.0
85.06492	3.7
91.05483	39.2
93.07052	54.6
95.04977	14.3
95.08047	5.5
95.08613	67.3
97.02890	10.6
97.06543	4.2
97.10181	5.1
99.08084	7.5
99.73341	3.2
105.07040	38.0
107.04977	6.5
107.08600	37.3
109.06541	7.7
109.10162	38.5
113.49686	3.5
117.07008	21.0
119.08615	24.0
121.06499	4.7
121.10123	31.5
123.08051	10.1
123.11707	15.0
127.03965	4.1
129.06961	8.9
131.08589	23.5
133.06541	5.5
133.10155	22.0
135.08067	4.7
135.11696	22.4
137.09583	5.4
137.13229	6.2
143.08467	8.1
145.10118	19.1
147.08029	8.0
147.11658	17.9
149.13254	18.2
157.10188	7.3
159.11716	16.0
161.09566	4.5
161.13251	13.0
163.14822	11.8
169.10110	5.4
171.11720	7.3
173.09685	5.4
173.13255	14.9
173.14592	4.1
175.14883	6.2
177.12718	4.0
177.16263	5.0
185.13268	3.6
187.14880	8.6
205.15939	4.2
227.05145	3.7
228.05612	4.1
243.21162	16.3
259.20663	3.7
261.22177	44.2
279.23157	5.3
285.22067	4.2
298.75162	4.1
303.23166	8.1
312.05005	3.7
315.23001	5.3
322.55292	3.9
327.23334	4.6
335.25717	20.7
345.24112	10.0
353.26889	27.4
358.16537	8.5
369.24127	9.0
377.27182	7.7
387.25394	5.1
405.26343	7.2
419.28009	9.1
443.27811	7.7
461.28812	6.5
497.30997	15.5
515.25867	17.0
515.37451	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.8
53.74334	0.9
53.96066	0.9
54.83280	0.7
55.01868	1.3
55.05512	5.0
57.03438	3.2
59.69276	0.8
61.02915	1.3
62.81705	0.7
65.03947	1.2
67.05510	7.7
69.03425	2.6
69.07069	3.6
70.06578	5.0
70.70889	1.5
70.71272	1.9
71.05008	1.7
72.08131	1.2
73.02907	1.3
79.05489	7.6
81.03423	75.9
81.07069	7.7
81.63258	0.9
83.04982	2.3
83.08624	17.9
85.02901	4.5
86.09708	5.3
91.03952	1.2
91.05482	10.1
93.07029	5.4
95.04975	27.6
95.08619	3.7
97.02907	4.3
97.06535	0.9
105.07047	7.4
107.04957	5.8
107.08589	3.2
109.02924	1.2
109.06506	2.7
109.10167	2.6
111.04474	2.2
111.08086	8.8
119.08588	7.6
120.08065	1.0
121.06493	2.0
121.10140	4.8
121.28664	0.8
123.04436	2.2
123.08063	1.0
129.07033	6.1
131.08572	5.3
133.06514	1.9
133.10133	3.4
137.09634	1.4
139.37924	0.8
142.07765	1.6
145.10170	1.5
147.08026	1.9
147.11694	7.6
149.09653	5.1
157.10147	8.9
163.11142	1.3
165.12776	1.1
171.11664	1.1
175.11177	12.2
192.10252	2.1
193.12254	62.7
194.12621	1.1
198.14897	1.7
211.13255	4.1
212.16586	1.4
235.13280	2.9
253.14229	1.0
259.13232	1.2
267.15930	36.3
277.14249	1.0
285.16989	100.0
286.17349	2.0
295.10699	1.0
299.18558	1.7
301.14273	2.8
309.16818	7.0
313.11896	1.6
319.15366	2.1
327.17847	1.1
337.16333	2.7
346.14938	1.7
351.18259	1.2
355.17502	2.1
363.18179	2.5
373.13815	3.6
375.18008	1.8
381.31821	1.0
393.19211	2.5
411.20258	1.1
482.19296	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	514.2862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09491	1.8
53.03934	2.9
55.01879	2.0
55.05495	6.0
57.03437	4.8
61.02917	2.2
67.05514	13.8
69.03405	3.9
69.07066	5.2
70.06598	15.2
71.04989	4.5
71.59494	2.9
72.08154	3.4
73.02897	2.7
74.56833	1.8
79.05484	8.4
81.03420	73.1
81.07050	5.6
83.04974	6.2
83.08623	22.3
84.08164	3.0
85.02905	9.0
86.06060	2.4
86.09711	20.9
86.57272	1.7
91.05493	10.9
93.07052	6.9
95.04974	25.7
95.08606	11.5
97.02876	4.3
97.06527	3.1
97.10117	1.9
105.07050	9.4
107.04971	3.4
107.08566	2.6
109.06530	3.4
109.10117	2.9
111.04414	3.1
111.08086	11.3
119.08540	10.1
120.08109	2.2
121.10156	5.7
129.06998	5.6
131.08562	7.2
133.06522	2.4
133.10133	4.6
140.07111	2.2
142.07712	2.1
145.10182	2.0
147.08037	4.5
147.11676	6.2
148.07733	1.8
149.09615	4.6
157.10130	8.9
159.01691	1.8
161.09587	1.9
164.10701	14.3
171.11528	1.9
175.11214	13.6
183.14989	2.4
192.10257	15.0
193.12254	69.2
198.09248	2.1
199.18112	2.6
203.08209	2.3
211.13249	6.3
225.10301	2.7
235.07413	2.2
267.11649	5.8
267.15918	52.0
285.16971	100.0
290.15659	5.9
291.09836	3.0
309.16998	11.0
313.11874	10.3
319.62921	2.2
323.12326	17.8
341.11237	2.4
359.12979	1.9
363.17957	2.5
373.13907	24.0
375.18140	3.0
393.19287	2.7
411.20172	3.5
429.21191	7.4
482.19278	4.3
514.21570	13.8
515.16913	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	514.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.8
67.05515	2.5
69.38783	4.2
69.39216	3.2
70.06581	2.2
71.87374	0.8
81.07060	1.0
85.02895	2.3
86.09689	2.7
91.05479	1.0
93.07021	1.1
94.06622	0.8
95.04986	0.9
95.08620	2.1
99.08099	1.9
108.04493	0.8
109.72787	0.9
116.98666	0.9
119.08652	0.9
124.07597	1.4
138.05530	4.8
146.06024	10.7
148.03931	0.9
153.83217	0.7
159.00139	0.7
164.03452	1.0
164.10728	1.6
166.04991	6.1
170.55974	0.8
173.15366	0.9
174.05568	3.7
192.10223	3.3
194.09802	1.1
198.14896	3.0
206.08093	3.5
209.10759	1.3
211.08716	1.2
212.16484	1.1
219.09232	1.2
223.08711	2.8
224.07214	0.9
224.09433	1.2
225.10236	1.5
236.09669	0.9
237.10225	25.9
238.10954	1.6
239.08160	4.7
239.11755	3.7
241.09770	1.5
247.08589	1.4
249.10152	1.4
250.08977	4.0
251.08223	5.0
252.08942	1.6
253.09824	2.8
254.08104	1.1
254.10655	0.8
255.11224	1.3
265.09735	37.6
266.07983	1.1
266.10468	2.0
267.07755	2.3
267.11298	8.1
269.09195	1.0
279.07697	1.3
281.09277	3.1
283.10760	2.3
291.09836	1.4
293.09216	24.1
294.10114	1.6
295.10794	10.7
298.09457	1.0
299.10294	4.7
311.07269	0.9
311.10260	33.4
312.11050	3.3
313.11792	8.6
321.08737	12.2
339.09769	52.3
340.10620	1.7
346.14722	1.0
353.11288	11.0
357.10986	1.3
371.12408	100.0
372.10925	1.4
420.19257	1.2
436.18698	3.7
438.20398	1.5
464.18219	56.4
478.19553	1.8
482.19177	6.0
496.21057	8.6
514.21478	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	513.3061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.3
55.01859	3.3
55.05509	11.2
57.03432	8.1
61.02925	12.7
67.05505	24.6
67.64529	2.1
69.01273	2.0
69.03434	7.0
69.07067	9.6
69.29671	24.5
71.04990	4.7
73.02911	6.4
79.05494	29.5
81.03407	6.8
81.07056	26.1
83.08625	5.2
85.02914	14.3
85.06539	2.9
91.03961	7.7
91.05483	38.0
93.07050	42.0
95.04974	6.7
95.08608	17.8
97.02891	11.0
97.06570	3.1
99.08136	2.2
105.07030	34.8
107.08595	24.9
109.06543	3.2
109.10130	13.7
116.49812	2.2
117.07043	10.5
119.08586	30.6
121.10149	17.4
123.11745	3.2
127.03953	3.1
128.75609	2.1
129.07014	8.0
130.98436	2.1
131.08585	16.3
133.10135	30.8
135.11708	17.8
142.07683	2.3
143.08574	6.0
145.10117	16.8
147.11668	25.3
149.09659	2.8
149.13243	13.1
155.25734	2.1
157.10164	8.0
159.11685	13.4
161.13225	21.2
163.14796	2.2
165.12732	2.2
170.03917	2.1
171.11644	11.0
173.13271	8.7
175.14862	10.7
183.11699	4.1
185.13289	7.3
187.14786	6.0
197.13361	2.9
199.14857	6.8
203.14291	2.8
213.16788	2.5
231.21115	4.8
241.19484	17.2
257.19089	3.5
259.20602	53.0
301.21671	2.3
313.21655	3.6
349.24026	3.6
351.25320	100.0
363.24994	3.0
367.22647	5.0
375.25290	3.6
385.23627	4.8
403.24966	7.1
421.25858	4.5
440.59048	2.4
441.26328	7.0
477.28574	2.8
495.29602	8.3
513.29437	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	513.3059
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
50.84797	0.9
52.37955	0.9
53.03938	2.3
55.05516	6.3
57.03437	5.2
57.07071	2.4
59.04992	1.0
61.02681	1.2
61.02929	11.4
65.03969	1.2
66.26050	1.0
67.05507	18.5
69.03410	4.1
69.07058	7.3
69.27642	1.0
69.82173	3.2
69.82585	3.9
71.04988	1.8
73.02908	3.2
75.04472	1.4
79.05495	24.4
81.03400	2.8
81.07061	21.4
83.04981	1.8
83.08634	4.1
85.02906	9.7
85.06540	3.0
91.03963	5.1
91.05482	20.9
91.06013	1.7
93.07048	33.0
95.04962	3.7
95.08611	16.2
97.02904	7.7
97.06523	1.6
97.10146	1.9
98.21411	1.2
99.08105	1.4
105.07034	22.4
107.04945	1.2
107.08588	22.0
107.09296	1.6
109.06513	1.3
109.10155	6.1
112.25515	1.0
113.09678	1.2
117.06993	5.6
119.08582	24.2
121.06483	2.2
121.10149	20.1
123.08087	1.2
123.11705	1.8
125.09621	1.2
127.03937	1.2
129.05490	1.4
129.07005	4.7
130.38829	1.0
131.08566	11.0
133.06581	1.2
133.10135	17.5
135.08046	2.0
135.11702	16.9
137.09671	1.1
143.08574	5.2
145.10117	13.3
147.11690	19.7
149.09583	2.1
149.13246	11.7
157.10135	6.2
159.11693	10.2
161.13261	17.7
163.11183	2.8
163.14847	2.3
169.10112	1.9
171.11707	7.3
173.13223	6.7
175.11215	2.3
175.14813	9.7
177.12752	1.3
185.13217	7.7
187.14757	2.4
189.12654	1.2
191.55269	1.0
193.10342	0.9
199.14822	3.4
201.16277	1.3
203.14474	1.1
213.16396	2.4
215.18007	1.5
217.19574	1.4
231.17451	1.8
231.21071	3.7
241.19540	15.2
257.18964	1.3
259.20578	38.1
267.09073	1.1
271.20599	1.6
277.21716	5.8
285.10211	3.1
317.21066	1.1
333.24301	7.6
342.15302	2.7
349.23697	4.2
351.25293	100.0
363.25485	1.3
367.22754	1.9
375.25259	2.2
417.26352	1.4
429.26102	1.3
441.26404	5.0
459.27664	2.7
477.28452	4.3
495.29431	3.7
513.29327	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	513.3059
Annotation	fusicoccin P
Peak:m/z	Relative Intensity
53.03952	2.1
55.01866	2.3
55.05494	8.3
57.03424	3.5
57.07063	2.2
61.02911	8.5
67.05508	20.7
69.03415	5.1
69.07048	6.6
70.20548	7.2
71.04997	2.4
73.02898	4.6
79.05498	21.5
81.03411	4.5
81.07058	24.3
83.08611	4.1
85.02895	11.4
85.09766	2.3
91.03956	4.2
91.05471	20.2
93.07037	28.1
95.04956	5.8
95.08599	14.8
97.02870	5.3
97.06492	3.0
99.08102	2.8
105.07024	23.1
107.08580	19.3
109.06504	3.1
109.10172	10.3
111.08101	2.3
117.07004	5.7
119.08575	22.9
121.10133	16.0
123.11658	2.6
127.03893	2.6
129.07004	3.9
131.08589	11.7
131.09373	2.0
133.10143	18.2
135.11679	16.6
138.73569	1.9
143.08543	4.8
145.10124	9.7
147.11678	17.9
149.09595	3.0
149.13225	14.2
150.61935	2.2
155.08484	2.2
157.10114	5.5
157.14896	1.7
159.11694	10.5
161.13235	13.5
163.11133	2.3
163.14883	3.0
169.10098	3.0
171.11667	8.1
173.13293	6.3
175.14828	7.8
177.12753	2.2
185.13254	7.3
199.14714	4.3
241.19508	17.2
255.08952	2.1
257.18811	2.3
259.20575	35.5
267.25348	1.9
277.21628	5.6
333.24258	7.1
349.23633	3.9
349.59946	2.4
351.25296	100.0
367.22443	2.9
385.23749	3.5
403.24744	3.2
421.25522	4.5
441.26514	4.0
459.27264	2.5
477.28375	3.1
495.29141	5.5
513.28363	2.7
513.35791	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34666	0.4
59.06103	1.0
60.04526	3.9
61.91148	0.4
62.10779	0.6
67.05485	2.1
68.47854	0.4
69.03424	1.1
69.07068	1.7
70.06576	1.6
72.08147	1.0
76.48775	0.5
79.05483	0.6
80.04985	0.6
81.03415	0.9
81.07062	1.0
83.08611	0.5
84.08134	0.5
85.02881	2.0
86.09721	1.2
91.05441	0.8
93.07030	1.5
94.06569	0.7
95.04943	0.8
95.08589	0.9
97.02908	0.6
97.06471	0.7
100.11217	0.9
105.07018	0.6
109.10166	0.7
115.07513	0.7
121.10122	0.7
122.06064	1.0
124.07602	0.6
133.10126	0.6
137.34492	0.5
138.05516	3.9
138.09093	1.0
140.07057	1.2
146.05986	1.5
151.11194	0.6
166.02042	0.5
166.05009	3.7
182.15529	0.6
194.08331	0.6
195.09160	0.6
206.08148	1.1
209.10768	2.1
210.09328	0.6
211.08734	2.2
218.08405	0.5
219.09200	2.3
220.07619	0.8
221.10704	0.9
222.07607	0.7
223.08578	3.8
224.09393	1.7
225.10265	1.7
235.08633	1.0
236.09422	1.1
237.10211	31.7
238.07213	0.8
238.08759	0.5
238.10915	1.5
239.08130	5.1
239.11752	3.1
241.09811	1.0
246.15018	1.4
247.08646	2.0
248.09459	1.4
249.10240	1.6
250.08867	4.0
251.08118	7.0
252.08986	2.1
253.09749	3.7
254.10545	0.8
255.11125	2.6
264.08926	1.2
265.09717	40.7
266.07047	0.7
266.10416	2.7
267.07681	2.7
267.11292	9.0
268.11835	0.6
269.09100	0.6
276.06369	0.7
277.09680	1.1
279.07721	1.9
281.09216	5.2
281.23407	0.5
282.09930	1.0
283.10706	2.4
293.09192	29.2
294.09988	2.2
295.10751	10.2
297.08810	0.7
299.10236	4.2
311.10245	35.9
312.10947	3.3
313.11737	3.0
321.08676	13.5
325.11929	1.2
339.09738	55.7
340.10184	2.5
350.29065	2.2
353.11301	11.7
354.11826	0.5
357.10699	1.5
371.12366	100.0
372.12799	2.0
434.16937	1.4
452.18192	4.3
453.34247	2.1
454.34488	0.7
462.16470	0.8
480.17642	24.7
481.18280	0.6
494.19131	1.2
512.20416	3.5
512.34119	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	512.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97100	2.1
55.05494	6.8
58.00221	2.5
60.04534	12.4
67.05483	5.0
69.03420	3.9
69.07053	6.0
69.56183	2.6
69.56767	19.8
69.57091	2.5
70.06596	19.2
70.79589	2.2
72.08140	7.8
74.06059	4.2
79.05478	4.0
79.64146	2.3
81.07059	7.7
83.04975	3.0
84.08144	4.4
85.02902	9.6
86.09713	15.4
91.05492	5.7
93.07038	7.0
95.04954	2.7
95.08612	5.3
97.02907	2.7
98.20751	5.0
100.11243	2.4
105.07062	3.7
107.08601	2.6
109.10139	3.5
111.04443	3.6
119.08620	2.7
120.08065	3.7
125.31990	2.5
127.03944	3.1
127.39527	2.2
138.05518	3.0
140.07056	5.4
166.04987	5.4
166.08600	2.7
183.10254	2.7
195.07686	3.0
206.07964	2.8
223.08771	3.0
237.10226	31.5
239.08151	3.6
239.11856	3.3
241.09677	2.6
250.08542	4.1
251.08162	8.6
253.09592	4.4
255.11388	3.0
264.08765	2.6
265.09723	40.4
267.07898	3.5
267.11307	8.1
271.05997	13.8
277.09573	2.6
281.09052	4.9
283.15350	3.6
289.14764	4.5
293.09222	25.4
295.10840	11.4
299.10269	6.1
311.10196	42.8
312.10858	7.2
313.11633	3.0
315.18130	2.9
321.08704	11.1
332.27859	4.3
339.09750	57.3
350.28958	6.9
353.11279	11.1
371.12387	100.0
372.13239	3.4
378.47876	2.4
389.15039	2.7
452.18237	8.0
462.16580	2.5
480.17664	36.0
494.19016	4.8
494.32501	2.6
512.19489	7.1
512.27814	3.8
512.34375	9.2
518.24109	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	512.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05471	0.6
59.06102	1.0
60.04524	2.9
67.05460	1.3
69.03392	0.8
69.07022	1.5
69.99870	1.3
70.00276	0.9
70.06570	1.0
72.04485	0.4
79.05448	0.7
81.06992	1.2
85.02866	1.7
86.09661	0.7
92.04989	0.4
93.07021	0.8
94.06499	0.5
95.04924	0.8
95.08578	1.1
97.02875	0.7
97.06499	0.5
100.11222	0.5
107.08564	0.4
109.10133	0.8
110.06016	0.6
115.07476	0.4
119.08512	0.4
122.05945	0.5
135.93558	0.4
137.02342	0.4
138.05501	3.7
138.09061	0.4
140.07016	1.2
146.05980	2.2
148.07542	0.4
164.03333	0.7
166.04994	3.4
174.05498	0.8
182.09607	0.5
192.08151	0.6
195.88875	0.4
196.07541	0.7
197.10707	0.5
206.08139	1.5
209.10709	1.5
209.16504	0.5
210.09293	0.6
211.08646	1.2
219.09123	1.9
220.07628	0.9
221.10596	0.8
222.07834	1.5
223.08701	3.1
224.07327	0.6
224.09453	1.0
225.10159	1.9
227.08192	0.5
235.08615	0.6
236.09424	1.4
237.10219	31.6
238.10869	1.7
239.08171	4.6
239.11760	2.8
246.14903	1.4
247.08662	1.5
248.09389	1.9
249.10187	1.7
250.08511	3.0
251.08142	5.8
252.08946	1.8
253.09616	3.0
254.10495	1.0
255.11217	2.5
263.08499	0.4
264.08942	1.4
265.09726	38.8
266.07819	0.6
266.10504	2.4
267.07648	3.9
267.11258	9.0
269.09177	1.0
275.08282	0.6
277.09647	0.7
279.07648	1.7
280.08380	0.8
281.09235	5.0
282.09970	1.2
283.10764	2.1
293.09207	27.4
294.09927	2.4
295.07645	0.8
295.10773	9.9
297.08740	1.0
298.09204	0.6
299.10202	4.8
299.60294	0.4
311.10266	36.5
312.10931	3.5
313.11789	2.3
321.08701	13.2
321.11685	0.3
325.11725	1.3
332.19519	0.5
332.27698	0.6
339.09756	56.6
340.10336	2.4
350.20499	0.6
350.29053	2.6
353.11337	11.8
357.10760	0.9
371.12384	100.0
372.12976	2.7
403.80521	0.4
434.17154	1.5
452.18317	4.6
453.34305	1.4
454.34540	0.7
462.16357	1.0
480.17682	31.2
481.18137	0.5
494.19333	1.0
494.50897	0.5
512.20282	3.7
512.34283	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	511.2905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	9.3
55.01627	2.8
55.01871	27.6
55.05270	2.4
55.05507	46.6
56.50177	2.2
57.03436	24.7
57.07081	10.5
59.04993	6.5
65.03936	4.2
67.05503	100.0
69.03426	9.2
69.07072	22.4
69.37547	23.8
70.04211	2.3
70.45986	2.1
71.01350	2.9
71.04996	11.9
72.10329	2.0
73.02912	7.2
79.05492	63.5
79.05966	3.4
81.03417	91.1
81.07057	68.5
82.04206	5.5
83.04974	33.8
83.08618	32.4
84.05766	2.2
85.02904	30.0
85.06565	7.9
86.79218	2.6
91.05475	65.2
92.09303	2.2
93.07044	49.7
93.76125	2.2
95.04974	53.3
95.08604	28.0
97.02895	7.8
97.06536	23.9
97.10176	22.1
98.07312	7.6
99.04453	3.6
99.08131	4.3
103.05431	2.4
105.07027	44.1
107.04980	14.9
107.08603	26.2
109.06509	8.0
109.10152	40.8
111.04445	11.9
111.08070	17.0
113.06020	3.5
114.99966	2.1
117.07035	7.8
119.08582	39.5
121.06510	6.1
121.10144	23.5
122.41028	2.3
123.04388	3.0
123.08082	9.4
123.11715	6.1
125.09624	19.0
127.11215	6.1
129.05489	4.0
129.07002	20.9
131.08577	20.7
133.06465	2.7
133.10121	23.9
135.08086	8.1
135.11707	8.6
137.05986	3.0
137.09653	6.7
139.07603	2.9
139.11208	3.7
142.07791	3.4
145.06317	2.3
145.10133	12.9
147.08073	8.7
147.11679	25.7
149.09630	10.1
153.12740	2.8
157.10141	19.0
158.05768	6.4
163.11212	11.3
164.11922	2.9
165.12807	5.0
171.06529	12.0
171.07898	2.6
173.09642	3.6
173.11768	5.0
175.11174	22.3
179.07043	2.3
189.11192	4.9
191.10686	5.6
193.12245	69.0
194.12854	2.6
199.09709	4.0
199.13338	8.7
201.14880	2.6
209.11656	11.5
211.13286	81.3
212.13591	2.5
227.12825	14.5
229.14278	3.8
241.14507	3.5
242.15248	2.8
249.14891	4.2
255.16031	6.2
267.15930	19.3
283.15469	12.0
285.17004	17.1
339.18021	8.1
339.21808	3.3
374.16678	4.3
382.26971	2.3
383.22400	3.4
395.24646	2.7
409.25784	5.8
421.25888	7.4
439.26910	47.3
440.27420	4.5
465.27811	2.4
475.27023	9.8
476.27792	4.3
493.27881	18.8
494.28824	5.1
495.03400	2.4
511.28979	84.0
512.29016	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	511.2927
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.7
55.01869	13.7
55.05511	40.0
57.03434	16.8
57.07076	7.5
61.02922	5.2
65.03925	5.0
67.05503	68.9
69.03429	17.1
69.07070	49.7
69.95362	19.5
71.04982	12.7
71.08622	5.6
73.02913	6.1
78.89198	3.0
79.05494	62.8
81.03416	61.0
81.03860	5.4
81.07056	100.0
82.03802	4.0
82.07378	5.1
83.04987	25.2
83.08627	33.5
85.02912	34.9
85.06548	10.9
86.03253	4.6
91.03960	3.7
91.05479	60.6
93.07044	64.5
95.04967	37.4
95.08611	48.0
97.02905	15.5
97.06532	75.7
97.10173	15.6
98.06883	13.0
99.04457	11.6
99.08073	8.2
101.02374	5.5
105.01891	4.7
105.07026	55.1
107.04971	22.2
107.08596	45.1
108.08936	3.5
109.02872	6.9
109.06490	17.4
109.10160	38.0
111.03638	2.9
111.04450	18.4
111.08083	12.1
113.06018	4.3
117.07002	16.8
119.08584	38.3
120.25102	3.2
121.06521	9.0
121.10149	42.3
122.10459	4.9
123.04411	6.9
123.08102	10.6
123.11726	22.3
124.12042	6.4
125.06039	7.4
125.09617	10.4
127.03935	8.1
127.07551	3.8
127.11240	3.8
129.07004	14.3
131.08572	28.7
133.06479	4.1
133.10143	28.9
135.08025	10.1
135.11694	18.4
137.05981	9.7
137.09654	6.2
139.11200	5.4
141.05489	4.3
142.07817	4.6
143.08577	12.0
145.06454	7.0
145.10143	31.1
147.08073	9.3
147.11687	35.2
148.11992	8.5
149.09624	19.3
149.13217	6.3
151.07584	6.8
151.11116	5.5
153.05472	6.3
153.09088	4.5
153.12723	8.1
155.08556	5.6
157.10132	19.4
159.08046	5.3
159.11717	13.9
161.06010	5.4
161.09616	6.0
161.13318	6.2
163.11166	21.7
165.09152	4.5
165.12759	14.1
166.13103	5.3
167.07045	4.5
169.10110	9.5
171.08043	5.7
171.11646	9.9
173.09598	9.9
173.13292	8.5
175.11220	13.2
177.05498	4.8
181.12277	12.0
183.11600	5.7
183.13792	20.9
184.14165	24.0
185.09720	4.0
185.13203	7.5
187.11171	5.4
189.09149	6.9
189.11169	5.8
191.07129	5.1
191.10706	13.5
192.07443	3.6
192.11205	3.7
193.12247	36.3
201.13135	5.2
201.14899	35.0
202.15186	31.7
203.14357	4.5
209.11737	14.1
211.13330	27.3
217.08577	9.1
221.15286	3.8
227.12822	14.5
231.13803	4.9
246.89331	3.4
249.14874	4.6
265.14325	16.0
267.15936	18.2
275.20126	12.2
283.15451	27.1
285.16959	4.7
287.13098	4.1
287.16418	6.5
288.13245	12.0
301.16455	10.7
330.14130	6.1
331.15451	6.3
332.15753	8.0
349.23718	21.2
355.22733	5.0
365.20908	5.5
374.16904	8.7
383.22098	7.9
401.23328	16.2
408.17151	4.1
419.24384	15.6
457.25568	6.3
475.26907	12.4
493.27649	47.4
494.17319	7.0
497.83746	4.4
511.12354	6.0
511.29227	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89233	2.1
53.03941	7.9
53.51410	2.3
55.01862	11.2
55.05510	33.0
57.03444	18.3
57.07073	4.2
61.02922	3.3
65.03935	4.2
67.05507	60.6
68.19641	2.2
69.03425	12.9
69.07064	30.3
71.01349	3.1
71.04996	14.0
71.61219	3.7
73.02921	4.8
74.66501	2.1
79.05058	4.1
79.05497	59.9
80.05847	2.8
81.03419	66.1
81.07060	71.9
83.04974	27.1
83.08617	23.9
85.02913	27.7
85.06552	6.8
86.06099	2.0
86.09742	2.1
87.04454	2.2
91.05486	57.3
93.07047	59.7
95.04972	45.0
95.08605	37.0
97.02876	11.0
97.06535	37.9
97.10166	7.9
98.06886	6.8
99.04476	6.9
99.08095	4.9
103.03950	2.2
105.07035	37.0
105.07690	3.6
107.04961	16.9
107.08588	31.8
109.02905	3.2
109.06523	15.9
109.10148	24.3
110.78381	2.0
111.04424	15.2
111.08085	12.4
113.06032	4.8
116.08607	2.2
116.98591	2.2
117.07034	13.9
119.08576	32.4
121.06535	6.9
121.10146	34.1
123.04436	5.5
123.08088	6.5
123.11703	9.6
125.05983	4.3
125.09616	10.8
127.03890	4.1
129.07016	14.6
130.07668	1.9
131.08583	23.4
133.06497	6.0
133.10147	18.3
135.08061	7.1
135.11674	17.5
137.06012	4.1
137.09604	7.6
139.11200	7.8
143.08569	7.0
145.06503	4.8
145.10156	20.7
147.08083	6.5
147.11667	19.4
149.09616	13.3
149.13293	3.5
151.07597	4.3
151.11168	4.9
153.09135	2.3
153.12729	4.8
155.08635	2.8
157.10170	11.8
159.08095	2.8
159.11656	4.7
161.09592	3.8
161.13217	4.6
163.11172	13.7
165.09100	5.0
165.12791	8.6
167.07089	3.9
169.10165	5.4
171.11629	3.2
173.09679	5.9
175.11220	13.6
181.10121	3.7
181.12149	5.1
183.11644	2.6
185.09669	2.7
187.11324	3.4
189.11221	3.1
191.10718	13.9
193.12248	41.0
202.09500	2.4
207.13802	3.2
209.11743	33.4
211.13295	48.1
227.12730	16.3
229.14435	4.2
235.13269	2.9
259.15451	5.3
265.14383	9.9
267.15833	21.6
280.14456	3.4
283.15414	26.9
285.17245	4.5
288.13272	4.8
301.16602	7.5
309.16901	4.5
313.16397	3.8
326.12137	2.7
328.16248	2.9
344.15738	2.6
349.24045	2.5
354.12109	2.9
374.16818	3.9
383.22116	3.8
401.23264	8.1
419.24414	3.7
439.28915	2.2
475.26373	12.3
493.27988	30.5
511.29071	100.0
512.29828	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	510.3554
Annotation	1-heptadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
55.05493	0.9
56.05027	1.3
57.07087	4.1
58.06598	1.1
60.07880	1.0
60.08165	15.9
62.42348	0.9
65.93484	0.7
67.05500	1.2
69.07031	1.0
70.32313	3.3
71.07360	5.9
71.08624	2.3
81.07043	1.4
83.08604	1.5
85.10172	1.8
86.09705	44.9
95.08608	2.5
98.98457	2.7
99.42814	0.8
104.10741	100.0
106.30002	0.8
109.10133	1.0
125.00008	25.1
143.01073	0.9
155.66698	0.8
157.68028	0.8
184.07338	92.1
204.94992	1.0
216.59254	0.8
220.49638	0.9
237.94768	0.8
239.23657	0.8
258.11139	1.5
308.57172	0.8
313.27328	2.6
327.28940	2.0
329.94467	0.8
341.20743	0.9
399.39297	0.9
432.79010	1.0
449.16254	1.0
492.34384	10.1
510.35547	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.1
55.01871	7.8
55.05519	9.4
57.03427	7.7
64.85387	1.8
67.05508	16.1
68.05846	3.4
69.03418	9.6
69.07072	20.5
69.96281	11.2
71.04977	5.2
71.08635	9.2
79.05495	20.1
81.03419	12.5
81.07063	28.5
81.92075	1.9
82.07372	3.5
83.04980	8.1
83.08608	10.3
85.02911	18.0
85.06534	11.4
87.00826	3.8
91.05481	11.1
92.05827	2.7
93.07057	13.3
94.07399	3.3
95.04999	10.3
95.08607	12.7
97.02878	7.7
97.06530	99.1
97.10187	2.5
99.04465	2.9
99.08096	13.4
105.01881	3.0
105.07036	9.7
106.07337	2.9
107.04955	4.0
107.08590	7.6
108.08947	2.3
109.02857	3.1
109.06500	3.7
109.10169	7.3
110.10493	2.2
111.04422	5.9
111.08082	85.0
116.98592	2.2
117.07007	5.3
119.08595	7.1
119.33575	2.0
120.08934	2.6
121.10120	10.3
121.37513	2.2
123.08073	2.6
123.11723	4.8
127.03905	8.7
129.07016	3.5
131.08582	4.1
133.10124	5.3
134.10468	2.9
135.04388	3.6
135.11649	2.5
137.05981	7.0
139.11310	1.9
143.08580	3.6
145.05006	2.8
145.06412	1.9
146.10416	2.4
147.04427	2.3
147.08032	3.0
147.11703	6.4
151.10983	1.9
155.14302	82.7
157.10101	3.6
161.05972	7.3
163.03859	2.5
163.11261	2.2
165.09105	2.1
165.12743	2.1
169.06561	2.1
171.08063	3.8
175.07495	2.0
181.10150	5.1
183.08051	2.5
183.13803	100.0
184.14226	2.1
185.09587	3.1
187.07622	2.7
189.09169	6.0
191.07086	10.2
191.10716	3.9
192.34679	1.9
193.12231	5.3
194.12585	2.7
199.07538	6.1
199.13312	2.3
199.59850	1.9
201.09180	4.0
201.14862	72.1
202.09554	1.9
203.75888	1.9
210.12178	2.4
211.07495	2.2
213.09116	5.0
215.07060	3.2
215.10648	2.2
217.08533	2.7
227.16483	5.3
229.08556	3.5
231.10272	11.2
237.10306	2.2
241.08501	3.9
241.12175	4.6
243.13794	2.1
245.17503	10.1
251.11623	3.3
257.11612	2.5
265.09665	2.9
269.11813	2.4
279.11066	3.1
285.14789	2.8
287.12805	20.5
287.16425	6.7
293.09158	2.4
295.10455	2.2
297.12198	2.7
299.12759	3.4
308.34079	2.0
309.12100	2.6
309.15344	2.6
311.13019	2.7
314.90665	2.1
325.11313	2.8
325.14783	3.5
327.15970	4.4
329.13748	9.5
331.15466	15.3
341.69699	2.3
343.15506	9.5
353.11258	9.9
355.15320	6.6
368.23019	4.7
369.22592	2.6
373.16479	16.2
379.10205	6.2
407.17148	2.8
418.23291	2.4
460.27585	5.1
475.15875	3.0
475.27109	2.6
478.19882	8.0
493.16953	8.5
510.27249	26.3
510.34946	4.4
537.97571	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	509.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.0
53.54414	2.0
55.01893	11.2
55.05513	32.9
57.03442	11.5
57.07071	8.7
59.04994	2.7
61.02911	2.0
67.05505	56.6
69.03423	8.9
69.07066	49.8
70.12205	4.4
70.12622	7.0
71.01346	4.4
71.04986	7.6
71.08620	3.9
73.02919	2.1
77.03923	2.7
79.05068	2.8
79.05497	50.6
81.03418	29.5
81.07059	100.0
83.01336	3.7
83.04982	16.3
83.08623	32.0
85.02911	23.2
85.06542	12.3
91.05480	37.8
93.07050	45.5
94.09540	1.9
95.04972	23.2
95.08609	71.6
95.09229	3.6
97.02888	8.5
97.06535	66.2
97.10170	21.0
99.04472	4.3
99.08103	8.9
105.07031	30.0
107.04945	11.3
107.08601	32.5
109.06532	9.5
109.10157	55.0
109.24908	1.9
111.04446	10.1
111.08091	8.5
111.11730	13.7
112.57703	2.2
112.90150	2.0
113.05995	2.9
115.05508	2.6
117.06989	11.0
119.08575	18.0
120.08097	3.0
121.06492	8.8
121.10147	25.9
123.04427	4.5
123.08070	7.8
123.11717	29.3
125.06027	4.0
125.09644	8.9
125.13297	12.0
127.03945	4.4
129.07014	5.8
131.08577	13.1
133.06468	4.3
133.10159	18.2
135.08067	9.0
135.11699	20.7
137.05969	4.7
137.09676	4.8
137.13258	27.1
139.11159	3.3
139.14853	3.4
143.08575	5.9
145.06488	5.0
145.10143	15.8
147.04393	2.9
147.08063	4.1
147.11664	8.2
149.09627	5.5
149.13274	12.6
151.11194	7.2
151.14839	7.3
153.12741	8.1
155.08501	2.2
155.14314	4.6
157.10136	6.8
157.41278	2.1
159.08153	3.8
159.11699	5.6
161.05966	4.5
161.09607	4.8
163.07652	2.3
163.11218	21.3
163.14839	5.0
165.16389	5.6
167.10646	3.1
167.14302	6.0
169.15916	3.7
171.08046	2.8
171.11668	3.0
173.09598	3.6
173.13333	3.6
175.11191	4.6
177.12752	2.8
177.16330	2.2
179.10710	2.5
179.17993	4.9
181.12259	7.2
187.07553	3.1
189.09106	5.8
189.11212	2.1
191.07008	9.5
191.10683	8.4
193.12254	19.5
193.19572	3.1
199.07619	4.4
201.12746	2.7
203.10783	2.7
207.10143	4.3
209.11732	23.3
211.13283	20.0
213.09286	2.3
215.10603	2.4
219.13797	3.2
219.21202	2.4
223.13281	2.6
227.10692	4.3
227.12793	19.6
231.10139	4.6
233.15358	4.6
237.22205	2.4
241.12157	4.4
247.13359	2.8
259.13251	2.7
265.14471	2.7
267.15952	7.8
273.17157	2.6
275.27368	7.0
281.28528	4.2
283.15314	11.6
285.14728	2.9
287.12756	14.7
287.15976	3.2
289.05338	15.6
293.28381	31.4
299.15155	2.9
311.29443	6.0
325.14508	2.9
329.13803	6.6
331.15393	8.7
336.89499	2.0
349.21405	3.4
367.22641	5.8
373.16464	8.4
373.23621	3.7
385.23776	8.4
403.24786	3.5
407.17093	3.0
417.22714	3.5
459.27487	9.7
475.15863	3.2
477.27982	3.2
491.25989	14.3
493.16751	2.6
509.27942	65.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81068	1.8
53.03926	7.0
55.01619	1.8
55.01870	16.7
55.05513	56.7
57.00245	1.8
57.03448	16.9
59.04978	6.4
60.47148	1.9
65.03931	4.7
67.05508	93.0
69.03395	6.7
69.07070	19.1
69.66159	1.8
69.96217	9.6
71.01321	3.8
71.04656	1.8
71.04988	14.5
72.31011	2.0
79.05495	66.6
81.03421	49.0
81.07059	64.1
83.01317	5.4
83.04988	25.7
83.08624	29.8
85.02905	14.9
85.06530	5.6
87.04436	1.7
91.05482	49.5
91.32512	1.7
93.06494	4.0
93.07044	57.7
95.04974	36.5
95.08058	2.4
95.08611	31.2
96.88480	2.0
97.02869	7.5
97.06541	11.9
97.10172	25.9
99.04465	2.0
99.08088	4.0
103.05429	3.3
103.42973	2.0
105.07034	34.4
107.04947	26.7
107.07980	2.6
107.08596	33.5
109.02863	3.7
109.06522	24.8
109.09465	3.6
109.10155	42.2
111.04448	9.8
111.08060	9.5
117.06303	1.9
117.07026	17.0
119.08584	28.4
121.06514	19.4
121.10146	26.7
123.04433	4.1
123.08076	13.1
123.11703	2.9
125.05942	3.0
125.09617	25.3
127.03875	2.2
127.13260	1.8
128.06168	2.1
129.07025	11.2
130.07774	2.3
131.04877	3.0
131.08563	22.0
133.06480	5.4
133.10124	16.4
135.04315	2.4
135.08043	13.5
135.11722	20.5
137.05927	2.3
137.09668	4.2
139.11166	2.9
140.12810	1.8
141.06944	2.0
142.07742	2.5
143.08511	6.5
143.10712	2.7
145.06490	9.4
145.10130	18.6
147.04395	2.3
147.08018	7.5
147.11732	9.4
149.09612	8.3
151.11121	5.7
153.09152	3.3
153.12700	8.2
155.08530	3.8
157.10091	7.2
159.08037	2.3
159.11676	3.3
159.53496	2.2
161.09573	7.8
163.11186	29.4
165.12711	2.1
167.10611	4.6
168.83656	2.0
171.07991	3.7
171.11586	4.0
173.09563	6.9
173.11667	6.9
173.13139	2.7
175.11147	6.9
177.12779	2.2
179.10690	4.3
181.09990	2.4
181.12219	6.3
185.09624	2.0
189.09215	2.8
189.11183	11.0
191.10641	7.6
191.14352	2.3
193.12216	16.1
199.11343	2.2
199.13237	8.1
201.12936	1.9
205.12131	3.6
209.11702	16.3
211.13280	13.4
213.12576	2.6
219.13818	15.2
223.13309	4.6
225.11166	4.4
227.12749	23.0
233.15341	8.9
236.42003	2.0
237.12747	2.2
237.14821	3.9
263.12463	1.8
265.14276	3.0
267.15866	8.4
273.14755	5.3
273.17200	4.2
275.16418	2.2
283.15427	18.2
293.17255	6.8
339.23129	3.0
349.21469	7.4
357.24222	2.5
367.18326	2.6
367.22665	28.5
385.23752	30.4
403.24576	8.5
437.25372	18.1
441.26260	5.8
459.21353	2.5
459.27426	44.8
477.28592	31.7
491.25171	5.7
491.29749	11.8
509.27213	100.0
510.27310	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	509.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67390	3.2
51.00107	3.1
53.03941	10.0
55.01878	23.2
55.05511	69.4
57.03439	21.0
57.07052	4.4
59.04988	7.0
59.10109	3.4
62.69253	3.3
64.30511	3.4
65.03910	4.9
67.05171	7.1
67.05507	96.1
69.03424	12.3
69.07076	32.5
70.20927	14.6
70.21338	8.2
71.04993	22.0
79.05067	6.5
79.05499	93.5
81.03424	45.9
81.07059	99.1
83.04984	35.1
83.08620	41.3
85.02914	18.7
85.06520	13.2
91.05487	62.0
92.52042	3.8
93.07045	83.8
94.07359	3.7
95.04971	54.9
95.08050	4.6
95.08617	52.0
97.02882	13.4
97.06523	44.1
97.10185	31.3
99.00833	5.0
99.04424	8.4
99.08104	4.4
105.07033	53.0
107.04366	4.9
107.04964	39.4
107.08588	55.6
109.02899	6.4
109.06515	37.9
109.10160	55.7
111.04420	17.3
111.08066	13.4
111.11716	5.4
117.07037	23.2
119.08588	35.9
121.06511	34.3
121.10150	50.7
123.04407	4.2
123.08055	16.1
123.11708	14.6
125.06007	7.8
125.09638	32.6
127.03920	6.7
129.07022	19.7
131.04903	6.5
131.08551	28.9
133.06485	7.3
133.10121	28.3
135.08093	20.7
135.11700	28.2
137.09590	7.1
137.13222	4.3
139.11122	6.8
143.08604	8.5
143.60069	3.9
145.06470	13.1
145.10132	31.7
147.04443	5.9
147.08073	12.3
147.11664	10.4
149.09599	15.4
151.03857	5.0
151.11179	8.4
153.09050	7.0
153.12755	9.1
155.08572	8.8
157.10121	10.6
159.08095	6.1
159.11707	7.8
161.05936	5.4
161.09596	12.1
161.74503	3.8
163.11208	36.0
167.10664	10.2
169.10103	4.2
171.08038	6.7
171.11661	4.3
173.09680	9.4
173.11777	5.4
173.13261	6.9
175.07539	5.3
175.11266	7.7
177.12747	6.0
181.12210	9.1
183.11694	4.4
189.09186	7.3
189.11200	14.6
191.10686	13.6
191.14316	6.6
193.12218	16.2
199.13275	16.4
209.11751	26.8
211.13286	9.1
219.13708	21.3
223.13107	7.5
225.11133	6.7
227.12730	38.5
233.15320	8.6
237.14932	6.1
241.14252	4.4
255.13689	5.5
267.15988	8.5
273.14615	6.6
273.17178	5.6
283.15338	32.5
287.12769	4.6
293.17471	14.1
293.28293	6.6
339.23013	5.1
349.21664	13.0
367.22769	35.7
385.23734	50.2
403.24762	13.1
437.25284	6.9
441.26154	10.6
459.27423	61.2
477.28583	28.5
491.29865	18.1
509.27194	100.0
510.27899	8.5
524.18994	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	509.2753
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
55.01882	25.3
55.05507	55.2
57.03418	20.3
57.07091	5.6
60.85179	5.3
61.02900	5.6
65.03928	7.3
67.05508	100.0
69.03425	8.5
69.07076	30.8
71.04990	16.1
71.12102	14.2
79.05495	83.8
81.03416	46.8
81.07055	81.8
83.04978	30.0
83.08618	35.9
83.09034	5.9
85.02896	16.6
85.06534	8.5
91.05484	65.4
93.07037	66.9
95.04979	46.9
95.08606	35.3
97.02891	9.7
97.06516	21.3
97.10159	23.6
98.09699	4.8
99.04459	8.6
105.07046	50.3
105.07696	7.9
107.04959	23.8
107.08608	45.7
109.06528	30.7
109.10150	52.4
111.04433	13.2
111.08125	9.5
113.06028	6.4
117.07000	25.8
119.08569	31.4
121.06510	21.9
121.10158	29.6
123.08044	10.7
125.09608	13.9
128.06244	6.8
129.06969	13.2
131.08560	20.1
133.06503	10.8
133.10117	31.9
135.08029	6.8
135.11697	24.5
137.09621	7.9
139.07539	5.2
139.11179	5.7
145.06447	6.5
145.10114	20.3
147.11687	9.0
149.09561	9.4
150.09103	7.3
151.11169	15.3
153.07019	6.4
153.12790	7.6
157.10185	9.2
162.52690	4.9
163.11221	38.4
173.09575	9.3
173.11600	13.6
181.12169	12.6
189.09338	5.9
189.11163	11.3
191.10645	11.1
193.12251	17.4
209.11726	46.1
211.13287	11.3
214.19757	5.1
219.13737	14.2
227.12701	27.6
233.15376	10.0
255.37724	6.1
267.15756	11.0
283.15442	25.9
349.21561	5.8
367.22571	17.2
385.23642	23.4
403.24792	7.9
437.25006	8.0
456.36823	5.6
459.27301	31.6
477.28464	14.6
491.26617	18.9
509.21469	9.2
509.27438	98.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2746
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
53.03934	2.9
53.09564	1.2
54.45779	1.2
55.01875	9.4
55.05507	31.2
55.26765	1.3
56.96571	1.4
57.03431	10.1
57.07074	3.0
59.00223	1.4
59.04987	2.3
61.53162	1.3
61.71704	1.3
63.25937	1.2
65.03929	2.5
67.05502	47.3
67.17682	1.2
69.03432	7.1
69.07067	16.1
69.96912	2.9
69.97317	5.7
71.01361	7.2
71.01692	1.3
71.04992	7.5
72.08148	2.1
79.05489	43.2
81.03413	45.3
81.07052	48.6
83.01316	1.6
83.04975	16.2
83.08611	20.1
85.02903	19.5
85.06540	5.0
86.09713	1.4
86.36512	1.4
88.60738	1.5
91.05476	43.8
92.96339	1.3
93.07039	33.6
95.04964	32.4
95.08600	26.4
97.02906	7.0
97.06529	32.3
97.10165	11.1
99.00838	1.7
99.04461	3.0
99.08044	1.6
103.05450	2.2
105.07029	32.7
107.04937	10.8
107.08591	28.2
107.95577	1.3
109.02885	2.9
109.06520	11.0
109.10152	23.6
109.10847	2.6
111.04435	5.8
111.08068	8.8
111.11692	1.6
113.05965	2.9
115.05465	3.1
115.74844	1.3
117.07014	10.1
119.08574	23.7
120.08080	1.4
121.06490	6.8
121.10150	16.4
123.04390	3.7
123.08059	5.2
123.11674	6.7
125.05975	3.8
125.09633	10.1
127.03909	1.7
128.06195	1.7
129.07007	7.7
131.08559	12.1
133.06491	3.3
133.10121	23.7
135.04361	1.6
135.08047	7.1
135.11699	11.3
137.05952	5.6
137.09636	5.5
137.13280	1.7
139.07542	1.6
139.11185	3.5
142.07858	1.7
143.08546	2.7
145.06491	2.2
145.10121	9.4
147.04472	2.6
147.08043	5.0
147.11665	12.2
149.06018	2.9
149.09601	7.5
149.13263	1.7
151.07530	2.7
151.11162	7.1
153.09120	2.1
153.12723	4.1
155.08508	1.7
157.10132	9.7
159.08064	2.5
159.11688	3.6
161.06001	2.2
161.09619	5.7
161.13264	1.4
161.20753	1.9
163.03925	1.9
163.07550	2.3
163.11182	8.2
165.09064	3.7
165.12753	3.8
167.10677	1.7
169.10023	1.8
169.12256	3.4
171.08052	1.5
171.11685	1.9
173.09610	3.7
173.13297	1.9
175.11186	10.8
177.09085	1.6
177.78885	1.4
179.10667	4.7
181.12210	4.2
187.07498	2.7
187.11162	1.8
189.09131	4.8
189.11186	2.6
189.12744	1.5
191.07022	2.3
191.10692	4.9
193.08615	1.8
193.12244	33.2
201.12732	2.9
203.10887	1.6
205.12213	2.5
207.10150	3.3
209.11751	10.0
211.13254	35.0
213.00613	1.5
217.22231	1.5
219.13715	2.4
225.11235	8.7
227.10770	1.7
227.12799	11.9
231.10231	3.5
233.11880	2.5
241.12422	2.3
243.12236	2.8
247.13344	2.5
265.14401	1.6
267.15826	10.0
281.13818	2.7
283.15396	7.2
287.12723	5.7
299.14890	8.0
331.15378	4.3
347.22461	3.2
353.21295	2.1
355.22723	2.2
373.16501	5.2
373.23764	7.3
385.14066	3.3
389.23227	1.6
399.21448	3.0
417.22681	3.6
429.30023	2.0
459.27130	2.6
491.26025	16.9
493.17166	2.3
509.27402	100.0
509.33929	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	509.2747
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.5
55.01870	21.7
55.05507	42.2
56.98700	2.9
57.03431	13.1
57.05924	3.0
57.07069	3.0
59.04999	5.4
62.86239	3.4
65.03936	4.9
67.05505	91.3
68.09090	2.8
69.03423	8.4
69.07063	17.1
71.04992	9.7
71.60161	5.6
73.02927	4.0
73.32988	2.6
76.62503	2.8
79.05498	58.1
79.61274	2.8
79.69355	2.8
81.03420	46.1
81.07054	58.7
83.01339	7.3
83.04991	24.2
83.08623	24.6
85.02898	16.6
85.06516	3.2
91.05484	48.4
93.07040	47.2
95.04966	23.7
95.08613	25.0
97.02891	9.3
97.06518	13.5
97.10178	17.5
99.04458	4.9
103.05493	3.2
105.07029	36.9
107.04946	18.3
107.08594	31.7
109.02908	3.7
109.06512	10.1
109.10158	48.3
111.04447	11.0
111.08101	12.9
117.07021	12.6
119.08598	23.1
121.06490	5.7
121.10109	16.1
123.08051	9.5
123.11707	4.9
125.09633	10.1
129.07002	9.0
131.08575	14.7
133.06543	4.3
133.10139	31.1
135.08063	7.2
135.11696	20.6
137.05980	4.9
137.09558	5.5
143.08589	3.8
145.10129	19.2
147.08075	3.3
147.11644	12.6
149.09628	6.4
149.13249	3.5
151.11197	8.0
153.12764	5.7
155.08556	4.6
157.10153	8.5
159.11797	3.1
161.06007	3.7
161.09685	6.0
163.11203	25.9
165.09071	3.4
173.04459	7.0
173.09602	5.3
173.11728	7.2
175.11241	7.3
179.10695	5.4
181.12245	9.9
189.09085	4.5
191.10681	12.0
193.12251	18.8
209.11725	22.7
211.13280	22.0
213.56528	3.8
225.11119	4.8
227.12755	25.0
233.54799	3.1
267.15912	18.8
283.15353	26.7
299.14999	9.0
437.25156	25.5
480.90140	3.5
491.26089	21.3
509.27512	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	509.2745
Annotation	(+)-N(6)-Hydroxyaphelandrine
Peak:m/z	Relative Intensity
51.41318	1.9
53.00299	3.0
53.03945	3.6
54.53714	1.6
55.01870	8.0
55.05515	27.1
57.03432	7.8
57.07077	2.7
59.04994	3.5
65.03922	2.5
67.05508	38.8
69.03416	7.3
69.07065	16.1
70.42676	3.9
70.43078	4.5
71.01365	2.4
71.04996	6.9
71.08689	2.4
79.05497	36.1
81.03418	40.0
81.07053	46.4
83.04987	16.0
83.08622	23.4
85.02905	18.8
85.06561	4.7
86.63524	1.8
91.05487	37.9
93.07050	35.7
95.04973	25.1
95.08606	24.1
97.02895	7.8
97.06522	12.9
97.10192	9.8
99.00819	12.4
99.04493	2.8
99.08113	2.4
103.05480	3.1
105.07034	31.1
107.04955	13.7
107.08599	22.5
109.02883	5.7
109.06532	8.7
109.10161	15.5
111.04439	9.3
111.08086	13.3
113.05990	3.5
115.05437	2.6
117.07037	8.5
119.08589	23.2
121.06527	6.9
121.10141	14.2
123.04421	2.1
123.08099	6.4
123.11687	9.1
125.06033	2.3
125.09642	7.6
128.06247	2.5
129.07053	5.6
131.08574	10.4
133.06508	3.0
133.10146	27.6
135.04491	3.0
135.08078	5.7
135.11719	13.9
135.76671	2.0
137.09692	2.4
137.13257	2.5
139.07570	3.1
143.08559	3.5
145.06525	3.1
145.10144	8.8
147.04410	2.0
147.08032	3.6
147.11676	9.7
149.09680	3.6
151.11200	7.3
153.12737	3.7
157.10121	9.8
161.09624	14.6
163.11203	11.8
171.08145	3.4
171.11726	2.5
173.09651	3.2
175.11235	8.3
179.10706	7.7
181.12273	4.1
189.09187	8.3
189.11238	3.0
191.10687	4.5
193.12239	30.0
197.11647	3.1
198.25587	2.0
207.10135	4.7
209.11731	23.3
211.13292	46.2
219.13806	2.9
225.11287	8.3
227.12782	15.2
233.65634	1.9
243.26276	1.8
267.16016	5.5
281.13956	4.1
283.15448	10.9
299.15100	5.5
367.22766	2.1
459.27786	2.6
473.24982	2.3
477.28476	2.4
491.25848	14.4
509.27625	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	509.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01885	16.3
55.05515	42.3
57.03431	10.1
59.04979	5.1
65.03926	5.2
67.05508	100.0
68.05833	2.2
69.03411	5.0
69.07062	17.7
71.01333	5.7
71.04991	11.7
73.02887	2.0
79.05067	3.2
79.05496	53.3
81.02999	1.8
81.03424	28.2
81.06580	3.0
81.07060	57.9
83.01326	6.3
83.04990	25.8
83.08221	2.1
83.08627	24.6
85.02914	14.0
85.06524	5.8
91.05479	44.0
93.06477	3.0
93.07047	49.3
95.04974	27.0
95.08609	27.1
95.78465	1.6
96.51949	1.9
97.02855	6.0
97.06537	11.4
97.10177	22.2
98.21499	3.9
99.04469	2.9
99.08059	2.0
103.05421	1.9
105.07040	28.1
107.04967	23.1
107.08603	32.3
109.02892	2.8
109.06518	17.1
109.09467	3.2
109.10163	54.0
111.04446	8.7
111.08050	7.6
115.05402	3.3
117.07021	14.6
119.08588	25.1
119.39234	1.8
121.06487	12.0
121.10139	18.6
123.04441	2.2
123.08098	8.7
123.11721	3.3
125.05968	3.4
125.09650	22.0
127.03970	2.4
129.07021	9.8
131.08574	13.9
133.06496	3.6
133.10133	9.6
135.08029	6.7
135.11705	12.6
137.09641	4.0
143.08566	4.9
145.06453	4.9
145.10132	20.6
147.04393	2.0
147.08012	6.3
147.11664	7.6
149.09595	7.7
151.07545	3.5
151.11121	3.0
153.09068	3.8
153.12709	6.3
155.08543	2.2
157.10063	3.4
159.11783	2.2
161.05928	1.7
161.09601	4.2
163.11217	29.4
165.12794	2.5
167.10565	2.6
169.10135	2.8
171.08025	2.2
171.11642	3.1
173.09659	5.8
173.11716	10.5
173.13155	3.9
175.11174	5.9
179.10587	2.3
181.12227	6.7
187.11266	2.1
189.09612	1.8
189.11214	12.2
191.10657	7.7
191.14226	2.1
193.12325	9.7
199.13239	4.0
209.09688	3.0
209.11678	18.2
211.13248	5.3
213.12572	2.0
219.13773	11.4
223.13252	3.5
225.14755	2.0
227.12738	17.4
229.63312	2.2
233.15388	4.0
237.14832	2.4
257.76831	1.9
267.15787	6.2
273.14648	2.9
283.15396	20.3
293.17346	5.2
339.23029	2.8
349.21509	4.1
367.22653	12.4
385.23703	12.2
403.24719	4.0
437.25208	20.6
441.26123	4.4
459.27484	21.0
463.26694	2.2
473.24341	2.8
477.28598	16.1
491.26373	8.3
491.31140	2.9
509.27283	89.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3685
Annotation	R1-Barrigenol
Peak:m/z	Relative Intensity
55.05509	27.0
57.03434	8.2
57.07067	7.1
65.03936	5.1
67.05507	100.0
69.03448	3.0
69.07073	16.6
69.95302	8.3
69.95692	6.5
71.05007	5.5
71.08621	4.4
79.05502	35.1
81.07066	70.8
83.08627	16.8
90.44466	2.9
91.05489	26.3
93.07045	40.9
95.05009	5.3
95.08617	58.6
97.10184	22.9
105.07034	19.8
107.08585	32.6
109.10162	60.4
111.08102	4.1
117.07035	8.6
119.08582	20.3
121.10143	24.4
123.11736	10.7
125.09616	13.1
131.08536	15.7
133.10101	15.2
135.08099	3.4
135.11684	17.2
137.13254	3.9
143.08513	3.9
145.10123	13.3
146.60625	3.2
147.11697	13.9
149.13293	7.8
155.10706	4.6
157.10144	5.0
159.11676	15.1
161.09741	3.4
161.13274	8.5
171.11755	3.3
173.11766	11.1
173.13284	10.6
183.11642	3.5
185.13292	4.9
187.14911	4.4
189.11230	9.5
192.97961	3.5
195.00317	8.7
203.96065	3.2
227.12852	11.5
229.14374	30.3
243.21140	5.3
261.22192	25.7
273.93872	2.9
317.24863	4.7
335.25858	21.8
397.31076	6.6
399.12308	3.0
415.31854	5.2
433.32852	9.0
471.34763	8.7
489.35806	65.0
507.36749	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	507.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03966	2.3
55.01871	2.8
55.05511	24.1
57.03435	5.2
57.07072	29.1
59.04986	2.2
65.03932	2.9
65.78436	2.2
67.05500	95.8
69.03426	2.9
69.07063	22.6
70.01566	8.5
70.01979	4.6
71.04996	4.1
71.08627	19.0
79.05486	36.7
81.03407	8.2
81.07056	83.1
83.04996	4.1
83.08614	30.8
85.06541	5.2
85.10173	12.9
91.05486	26.0
93.07040	48.0
95.04967	8.1
95.08598	55.3
95.09162	4.4
95.77869	2.1
97.06513	8.3
97.10168	14.6
99.08080	3.1
105.07027	13.2
107.08585	27.0
109.10154	53.0
111.08067	5.5
115.11816	2.2
117.07020	8.8
119.08573	13.3
121.10153	13.4
123.11710	9.6
125.09647	7.6
131.08589	15.7
133.10133	17.1
135.11653	13.7
137.13235	3.3
145.10124	7.5
147.11671	6.7
149.13251	21.6
151.14789	3.0
159.11681	11.6
161.13338	4.1
163.14842	2.9
173.11897	11.2
173.13240	5.0
177.12749	2.9
187.14742	3.1
188.79587	2.4
189.11270	4.8
195.13844	11.0
208.42171	2.4
224.89073	2.4
227.12773	10.9
229.14320	30.8
239.23703	6.0
243.21184	4.5
261.22168	15.4
317.24792	2.6
335.25763	18.4
379.30072	2.9
397.31067	5.0
415.32004	6.9
433.33167	4.3
458.89316	2.4
489.35815	39.4
507.26672	5.0
507.40027	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	507.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.5
55.01860	2.4
55.05266	1.6
55.05513	24.0
57.03443	7.6
57.06822	2.5
57.07079	32.1
57.57730	1.4
62.37920	1.5
65.03941	3.9
67.05507	91.4
69.07069	24.8
71.04984	3.6
71.08632	21.1
71.35718	3.4
71.36064	2.0
71.37070	1.5
73.34000	1.8
79.05054	2.7
79.05494	33.1
81.03422	4.7
81.07060	89.4
82.00687	1.8
83.04969	4.2
83.08141	1.9
83.08623	25.2
85.06519	3.6
85.10200	10.9
91.05484	25.8
93.06467	2.7
93.07043	39.6
95.04971	6.3
95.08611	60.4
97.06529	4.4
97.10164	14.5
105.07040	17.8
107.08594	30.7
109.06532	1.5
109.10162	48.3
111.08115	7.6
112.40063	1.4
117.07027	6.2
119.08572	16.1
121.10149	14.8
123.11725	12.8
125.09695	9.3
131.08559	14.5
133.10129	15.4
135.08090	1.9
135.11687	12.4
137.09636	2.3
137.13257	3.4
145.10176	10.3
147.11682	10.2
149.13252	17.2
151.14803	1.6
157.10072	2.3
159.11710	11.2
161.13243	7.2
163.14838	4.3
167.14392	2.0
170.81624	1.7
173.11714	9.5
173.13290	5.5
177.12767	3.0
187.14865	2.5
189.11214	5.9
195.13895	7.6
197.13205	1.6
227.12758	7.1
229.14406	30.4
231.15999	1.9
233.22597	1.8
239.23695	7.1
243.21132	2.7
255.29108	1.6
261.22131	13.3
263.23755	1.9
277.21729	1.8
317.24963	2.2
333.24475	2.5
335.25790	19.0
379.29865	3.3
397.30936	7.4
415.32019	6.8
433.33185	5.5
435.31116	2.1
471.34601	6.1
489.35831	44.5
507.40973	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	507.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01873	3.6
55.05515	18.2
56.96564	2.6
57.03431	2.6
57.07060	6.0
57.81666	1.6
61.02920	2.6
61.30347	1.4
67.05509	28.1
67.60471	1.5
69.03416	4.3
69.06715	2.7
69.07072	34.0
69.37174	5.5
69.37605	10.0
70.06580	1.9
70.07411	1.6
71.04974	4.8
71.08607	2.0
72.08144	1.6
79.05506	13.7
81.03415	2.7
81.07063	100.0
83.04981	3.4
83.08633	12.6
85.02905	11.7
85.06552	13.8
86.09706	2.7
89.64731	1.4
91.05482	7.9
93.07047	27.5
94.14404	1.4
95.04960	6.5
95.08613	78.0
97.02882	4.7
97.06543	9.8
97.10158	8.5
98.21529	3.0
99.08105	9.6
105.07010	8.4
107.08604	33.1
109.02862	2.3
109.06538	3.4
109.10164	51.3
111.08083	17.5
111.11728	10.4
113.09663	3.1
117.07033	1.8
119.04930	2.3
119.08579	11.5
120.08110	2.2
121.06484	2.3
121.10159	20.2
123.08102	2.5
123.11723	41.1
125.09624	5.9
125.13284	3.3
127.03928	2.3
127.11176	2.9
129.05452	1.7
131.04875	1.5
131.08553	2.2
133.10133	7.6
135.11703	21.2
137.05997	4.3
137.09659	2.2
137.13255	20.0
139.07635	1.7
139.11156	3.9
143.08620	2.1
145.04936	2.2
145.10107	4.3
147.11679	4.6
149.09641	3.1
149.13274	27.5
151.07544	3.7
151.11197	2.0
151.14821	6.6
153.12749	6.0
159.11719	1.9
161.05991	2.6
161.13255	4.4
163.03987	1.8
163.06007	1.5
163.14832	16.0
165.09131	4.1
165.12737	1.5
165.16431	3.9
167.14357	5.2
171.11723	1.8
171.13872	1.6
177.16425	9.2
181.15866	3.1
189.16302	1.8
191.18007	4.0
203.17969	3.2
205.19550	3.5
209.18950	2.8
217.19464	5.6
223.20746	2.3
232.87839	1.7
235.10977	1.6
235.20685	3.1
247.24197	2.3
259.09787	2.2
261.25800	2.5
273.25803	8.9
279.26825	4.8
289.05219	9.3
291.26849	47.7
297.27884	2.3
309.27838	19.8
327.29230	2.7
466.01608	1.9
507.21875	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	507.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.5
54.02612	3.4
55.01873	9.8
55.05513	31.1
56.04305	3.1
56.96577	6.2
57.03434	7.5
57.07082	11.7
59.05004	6.9
61.02919	4.4
63.88861	3.4
67.05508	61.9
69.03423	13.1
69.07063	36.1
71.04989	10.4
71.08636	3.6
73.00174	3.6
79.05499	51.6
81.03410	30.0
81.07056	100.0
83.04990	15.0
83.08620	28.9
85.02895	13.8
85.06539	7.8
91.05482	47.0
92.10892	3.4
93.07053	61.6
93.92533	3.4
95.04971	26.6
95.08611	84.2
96.08869	3.5
97.02908	10.3
97.06541	28.5
97.10190	17.9
98.20696	6.7
99.08093	7.9
105.07030	40.1
107.04966	15.5
107.08595	51.6
109.02880	4.7
109.06522	11.6
109.10157	58.5
111.04432	10.0
111.08079	13.3
111.11736	8.7
117.07017	13.5
119.08556	28.1
121.06532	10.0
121.10149	53.1
123.04432	6.2
123.08073	11.4
123.11707	23.9
125.06004	5.8
125.09630	14.8
125.13299	8.0
127.03960	4.7
129.07013	4.5
131.08595	17.3
133.06563	3.7
133.10130	34.6
135.04448	12.6
135.08080	6.6
135.11687	37.4
137.05983	5.6
137.09616	5.4
137.13260	13.5
139.07558	4.5
139.11180	7.9
141.05409	4.2
143.08553	4.8
145.10133	18.0
147.08026	8.4
147.11691	16.8
149.09625	11.5
149.13222	19.5
151.07565	4.9
151.11238	9.9
151.14890	6.1
153.05493	5.8
153.12743	9.9
154.88629	4.6
155.08514	6.7
157.10149	9.0
159.11647	7.2
161.09654	6.7
161.13272	4.9
163.11174	20.0
163.14819	10.8
165.12840	4.4
167.07123	5.5
167.08469	4.1
169.12294	3.9
171.11641	6.8
173.09637	7.0
175.07628	4.2
175.11206	7.3
177.09163	3.8
177.16417	6.1
179.10651	6.5
181.12386	4.9
183.08080	5.2
187.11256	4.4
189.12831	4.2
191.10571	6.4
191.18007	5.5
193.12285	18.6
203.14363	5.1
209.11649	8.1
211.13220	8.2
215.14354	4.1
217.19591	7.4
227.12593	17.3
231.13759	5.5
232.88197	3.5
247.24101	5.5
267.39658	4.4
273.25845	15.0
281.13644	4.3
291.26773	10.9
309.27817	4.5
312.10638	5.3
353.11169	6.2
354.11606	14.0
365.21167	4.9
383.22202	12.1
401.23257	7.7
427.28830	4.7
457.25830	8.8
475.16827	4.9
475.27057	16.9
507.30078	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	7.1
55.01860	9.9
55.05513	29.2
57.03428	5.1
57.07063	10.3
65.03953	5.2
67.05167	4.4
67.05506	53.8
69.03413	8.3
69.07071	39.9
71.04989	8.3
71.08630	4.1
71.60749	4.4
79.05497	37.6
81.03430	14.4
81.07059	100.0
83.04962	8.8
83.08634	27.3
85.02884	10.8
85.06545	6.4
91.05479	33.8
93.07043	56.2
95.04982	19.4
95.08614	86.2
97.02888	8.3
97.06526	20.6
97.10197	16.0
105.07019	26.8
107.04939	6.1
107.08595	46.1
109.06539	8.0
109.10158	57.3
111.04472	3.9
111.08078	5.0
111.11720	9.3
115.96684	3.1
117.07010	7.3
119.08575	19.2
121.06529	7.2
121.10143	40.4
123.08065	8.7
123.11725	29.0
125.05952	4.0
125.09624	7.3
125.13254	5.0
129.07050	4.0
131.08595	8.2
133.06480	4.0
133.10130	20.0
135.04433	3.4
135.08025	5.8
135.11667	36.1
137.05995	5.4
137.09581	5.7
137.13251	17.8
139.11050	5.9
143.08556	6.3
145.04996	4.0
145.10132	12.0
147.08018	4.1
147.11702	15.5
149.09576	7.6
149.13303	27.4
151.11195	5.9
151.14841	5.7
153.12750	5.3
156.57539	3.7
157.10097	4.7
161.05859	3.4
161.09634	8.3
161.13261	6.6
163.11171	12.2
163.14862	14.6
167.14349	4.3
171.11649	4.0
175.14856	5.9
177.16418	13.6
179.10583	4.0
181.12253	3.8
189.09169	4.1
189.16382	4.0
191.10593	4.9
191.17896	7.6
193.12300	5.7
203.18028	4.6
209.11731	8.4
217.19630	6.5
225.11308	4.0
227.12778	13.3
273.25769	19.7
281.14075	3.2
291.26901	20.8
335.33203	3.5
416.50998	3.4
463.17709	3.3
475.27100	4.4
507.25754	27.3
507.29431	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	507.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.7
55.01870	10.5
55.05514	30.3
56.96545	3.5
57.03424	12.9
57.07060	4.8
57.31529	3.2
65.03947	4.1
67.05511	54.2
69.07066	13.1
71.04978	5.2
71.59788	4.7
74.14159	3.1
79.05062	4.8
79.05493	78.2
81.03429	22.2
81.07064	48.9
83.01341	6.6
83.04974	20.7
83.08621	21.1
85.02891	5.0
91.05479	67.4
93.07047	81.7
95.04978	31.5
95.08619	32.4
97.02878	3.5
97.06515	11.2
97.10133	5.3
105.07045	41.5
106.87692	2.7
107.04964	17.4
107.08608	28.6
109.06490	14.1
109.10156	6.1
111.04431	6.4
117.07046	15.0
119.08601	26.3
121.06493	7.1
121.10151	12.0
123.08060	13.5
128.06229	3.7
129.07010	16.7
131.08563	9.3
133.10117	10.0
135.11681	10.4
143.08534	12.1
145.10136	19.9
147.11690	36.2
155.08484	3.5
161.09505	5.0
161.13240	13.7
163.11206	20.2
171.11726	27.0
181.12241	4.4
189.12746	9.1
191.10738	4.2
207.13817	31.7
209.11736	9.6
223.13251	4.0
227.12801	12.5
267.15686	3.1
275.16440	2.9
281.17477	52.5
283.15411	56.9
285.10049	3.5
439.18350	3.1
489.21674	5.5
489.28500	100.0
507.29187	16.4
507.40500	5.7
513.12177	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	506.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	1.1
57.03437	4.2
60.04512	1.5
61.02932	0.9
64.77321	0.6
65.64850	0.5
67.05515	0.9
69.03420	1.8
69.07048	0.9
70.06586	1.6
70.72039	1.1
70.72403	1.1
71.04993	29.6
73.02913	1.4
75.04475	1.4
76.52662	0.5
79.05479	0.8
81.03404	0.9
81.07059	1.0
83.04987	6.0
84.08141	1.0
85.02901	33.9
86.06075	0.7
86.09693	1.2
87.04470	0.8
88.03927	0.6
91.05478	1.3
93.07037	0.8
95.04939	1.1
97.02868	2.2
98.97605	1.0
99.04447	1.3
105.06989	1.0
107.08592	1.0
109.02881	0.7
111.04455	3.2
119.08602	1.2
120.08121	0.6
121.02845	1.9
121.06529	0.9
121.10111	0.8
123.04368	0.7
123.08071	0.6
124.07583	0.6
127.03892	1.8
127.16365	0.6
129.05482	11.3
133.02847	2.2
135.04433	1.4
136.07585	1.3
137.05997	1.1
139.11095	0.7
145.04932	1.2
146.08080	0.8
147.06523	5.0
148.07541	0.6
149.02335	100.0
156.52345	0.7
158.88387	0.6
162.09393	0.6
163.03897	72.2
164.04294	0.7
164.09184	1.8
166.08611	0.6
167.03406	3.3
181.04953	58.0
221.90816	0.6
230.13988	0.7
252.15906	0.6
326.19785	0.7
331.12823	1.3
344.20761	1.0
411.57364	0.7
428.14120	1.4
462.20486	1.3
506.15866	0.8
506.22885	3.3
506.30170	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	506.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44923	1.8
55.01868	2.7
55.05503	2.8
55.12355	2.1
55.89920	1.8
56.05017	3.6
57.03437	2.4
58.42837	1.6
60.04538	3.2
67.01840	2.2
67.05500	4.4
68.99780	3.4
69.03407	6.1
69.07057	4.1
70.06586	14.5
71.04983	2.1
71.34618	2.0
72.08154	10.4
73.02911	3.9
79.05505	4.1
80.05026	2.3
81.03442	2.6
81.07079	10.5
82.06612	2.5
84.04514	2.1
84.08138	5.1
85.02902	12.3
86.09711	29.2
91.05468	3.5
93.07043	5.8
94.06562	4.6
95.04967	3.0
95.08617	6.1
97.02887	3.8
97.06494	2.5
101.02383	2.2
101.07142	1.9
103.05492	3.4
105.07032	5.6
106.06580	2.8
107.04964	5.1
107.08604	4.3
109.06527	1.9
109.10172	2.9
111.04424	3.3
113.02417	2.1
119.04939	5.9
119.08515	1.8
120.08113	19.3
121.02872	100.0
121.03828	4.4
121.06487	2.5
123.08081	2.4
124.07703	1.5
126.05514	4.3
127.03973	3.0
127.05009	3.8
129.10326	2.5
131.03444	2.6
131.04964	1.8
133.10104	2.0
134.05978	4.4
135.04375	3.2
135.11700	1.9
136.07584	5.2
137.05983	3.9
145.02863	2.2
148.07588	6.9
149.02374	4.9
150.09161	2.4
153.01830	96.0
153.05460	7.6
154.02235	1.7
154.08633	6.3
160.07590	5.5
161.06097	2.3
162.05533	3.2
163.03908	11.0
164.07327	2.1
166.08688	4.0
168.06798	1.7
171.02834	2.8
175.07623	3.0
176.07082	7.9
178.08617	18.1
179.03326	2.6
185.16537	6.9
186.05600	3.0
188.07088	2.6
192.06616	9.6
193.04988	6.5
194.04428	4.3
201.05560	4.0
204.06589	2.8
205.04984	5.7
210.07690	2.9
213.15959	3.5
223.10852	2.5
223.13290	3.2
228.06538	2.1
229.08478	2.1
230.07753	3.1
231.06528	2.1
233.84830	1.7
239.07039	2.7
241.04915	3.0
242.05573	2.5
243.06534	11.7
245.04430	3.3
255.06372	2.1
257.08081	13.7
258.07654	18.5
259.06064	18.1
261.16013	2.4
267.06500	12.7
269.04315	2.0
270.05148	4.8
270.07675	2.4
271.06015	79.9
272.06161	3.2
273.03949	2.3
276.23288	3.3
284.09100	10.4
285.07562	10.8
286.07095	4.0
287.05496	81.1
294.07767	2.8
294.24258	7.6
295.06061	41.4
297.15598	3.1
309.13181	1.9
312.08646	55.9
312.25287	5.0
313.03894	2.8
313.07019	76.3
314.07336	3.3
315.16479	3.4
328.08063	3.0
329.05167	3.3
329.08612	3.3
330.06042	4.3
330.09705	40.5
341.21881	2.0
344.20694	2.0
344.28012	7.2
434.10818	3.7
447.09000	4.0
463.08734	4.4
470.27451	2.4
474.30515	8.2
489.10147	10.9
506.13043	23.8
506.21075	3.2
506.22247	2.7
506.33936	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.6
55.01855	3.1
55.05516	12.3
57.07079	28.2
61.15089	2.8
67.05508	26.8
69.07071	9.7
70.65383	10.2
71.08643	26.3
79.05496	12.4
81.03420	58.9
81.07067	30.8
83.08630	28.1
85.10187	13.1
91.05480	15.8
93.07054	11.1
95.04974	15.0
95.08608	23.3
97.10178	10.2
105.07049	7.0
107.04958	4.9
107.08616	4.9
109.10177	11.1
111.08105	4.6
119.08603	7.8
121.10155	6.8
123.11732	5.3
129.07025	9.2
131.08614	6.7
133.10153	3.4
141.06947	3.4
147.11667	3.6
149.09660	3.6
157.10170	10.3
175.11229	6.7
193.12267	21.8
215.05580	2.5
237.22133	3.5
239.23723	4.6
249.14954	4.4
279.66605	3.0
297.97571	2.6
318.98499	3.1
322.41608	2.7
389.18057	4.7
403.19266	5.2
417.16617	5.3
430.17822	5.6
431.18222	4.9
445.20175	42.0
446.20984	27.4
505.22079	90.4
505.38959	100.0
506.22638	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56239	1.3
53.03945	4.9
54.39180	1.5
55.01851	2.0
55.05507	8.9
57.07077	28.7
67.05502	20.7
69.07080	9.3
71.08630	18.7
79.05482	9.5
81.03418	64.2
81.06565	2.2
81.07052	23.0
83.04992	2.8
83.08620	21.5
83.20772	1.4
85.10181	11.7
91.05492	15.0
91.46147	1.6
91.47860	1.4
93.07039	7.5
95.04971	16.6
95.08610	21.4
95.70841	1.4
95.78919	1.4
97.10181	6.3
98.21547	2.4
105.07022	9.7
106.79611	1.4
107.04975	3.0
107.08635	1.9
109.10167	10.5
111.08089	5.6
111.11764	2.4
119.08576	9.5
121.06467	3.1
121.10161	3.0
122.79007	1.5
123.08074	1.5
123.11698	3.6
129.07054	7.0
131.08607	4.9
131.31656	1.4
133.06483	1.7
133.10121	2.4
142.07773	3.0
145.10141	2.4
147.08047	1.6
147.11707	4.4
149.09624	2.2
157.10182	6.6
175.11238	5.8
193.12236	28.0
229.64067	2.3
239.23677	8.1
249.14978	4.5
358.19199	1.7
399.50092	1.4
505.38977	100.0
506.38913	2.7
508.64575	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	505.3888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.1
55.01863	1.4
55.05503	8.0
57.03432	1.1
57.07075	27.7
65.03931	0.8
66.95649	0.6
67.05505	19.9
69.03423	1.0
69.07071	7.5
69.98549	2.9
71.04994	1.6
71.08234	0.8
71.08632	22.6
79.05492	9.6
81.03417	60.6
81.07057	19.9
81.35711	0.7
82.76183	0.5
83.04986	2.5
83.08139	1.3
83.08619	19.7
85.06523	0.5
85.10188	11.0
85.10664	1.2
91.04903	0.7
91.05476	12.9
91.06007	1.1
92.78249	0.8
93.07029	6.5
94.84973	0.6
95.04366	0.9
95.04969	15.1
95.08604	19.9
97.02891	1.4
97.10157	4.3
99.11724	0.8
105.07025	9.4
107.04978	3.2
107.08588	2.7
109.06532	2.1
109.10155	10.5
111.04445	1.0
111.08106	4.8
111.11725	1.0
115.05460	1.6
117.07059	1.3
119.04929	0.8
119.08587	7.9
121.06520	1.1
121.10131	3.9
123.08081	0.8
123.11723	3.3
125.13293	0.8
129.06998	7.7
131.08549	5.0
133.06499	2.5
133.10141	4.0
137.09604	1.1
137.13271	1.7
142.07820	2.0
144.93153	0.7
147.08115	2.0
147.11678	3.5
149.09624	3.4
151.14832	0.8
151.99773	0.6
155.17813	0.6
157.10120	5.4
165.12799	0.7
175.11176	7.5
193.12238	31.4
213.12695	0.7
221.22705	0.8
239.23715	7.6
249.14806	5.9
249.16687	0.5
409.56027	0.6
505.38904	100.0
506.39206	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	505.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.8
57.03423	8.1
57.07058	3.8
59.04992	5.0
67.05505	100.0
69.07069	10.6
69.37884	22.3
70.16254	1.8
71.04976	4.7
72.62945	2.2
75.07772	2.3
79.05496	30.9
81.07056	38.1
83.08626	10.2
84.84159	1.9
91.05473	39.1
93.07047	34.9
95.04957	4.2
95.08614	22.4
97.06516	3.9
97.10159	3.4
99.08101	3.7
105.06385	3.6
105.07034	31.1
107.08607	17.9
109.10155	74.1
111.08054	5.1
117.07010	9.4
119.08589	34.0
121.10112	12.9
125.09637	2.3
129.07004	6.6
129.35080	2.0
131.08565	13.9
133.10132	25.9
135.11664	13.2
137.09607	2.6
143.08563	5.1
145.10100	13.3
147.11690	28.1
149.13243	8.4
155.10670	4.2
157.10129	4.6
159.11716	10.7
161.13264	18.3
163.14812	3.2
171.11673	7.6
173.11784	23.1
173.13170	3.9
175.14825	8.9
185.13223	5.7
187.14769	4.1
189.11253	2.9
199.14909	3.3
227.12762	7.0
229.14355	55.3
231.21130	5.8
241.19576	23.6
259.20572	56.7
261.22202	2.9
286.36829	2.5
303.10483	2.4
315.23221	4.5
329.84830	2.1
333.24200	32.3
487.34399	13.7
488.36627	3.1
505.35080	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	505.3891
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97573	0.7
53.03938	3.9
55.01894	0.9
55.05513	9.3
57.03426	1.4
57.07075	29.8
59.02570	0.7
60.25353	0.6
65.03939	1.5
67.05505	21.5
69.03429	1.2
69.07071	8.1
69.30157	8.1
71.04988	0.9
71.08633	21.9
74.24788	0.7
79.05489	8.6
81.03418	65.8
81.07061	20.2
83.04986	2.4
83.08622	21.6
85.10182	12.4
91.05486	12.3
93.07032	6.1
95.04971	18.0
95.08607	20.8
97.02895	1.4
97.06538	1.2
97.10161	5.2
99.11694	1.1
104.90209	1.0
105.07029	8.9
107.04933	3.8
107.08603	2.1
109.06550	1.7
109.10152	9.9
111.08084	5.3
111.11745	2.3
119.08585	7.4
121.06429	1.4
121.10155	2.7
123.08069	1.1
123.11692	3.5
129.06993	6.9
131.08546	4.6
133.06529	2.7
133.10130	2.6
135.08041	0.9
137.09665	1.0
137.13268	1.4
142.07799	1.6
147.08057	2.1
147.11642	3.8
149.09656	3.0
150.40536	0.7
151.14835	1.4
155.93941	0.8
157.10130	5.8
165.12743	1.3
175.11191	6.9
193.12257	25.5
195.39143	0.8
239.23714	7.0
249.14867	4.5
268.99698	0.8
368.86911	0.7
416.33057	0.8
505.38928	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	505.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.5
55.01863	2.8
55.05510	20.0
57.03431	3.7
57.07066	7.4
65.03937	2.2
66.58598	1.7
67.05508	26.4
69.03428	8.6
69.07072	100.0
69.51913	2.4
69.62884	13.9
69.68751	1.9
70.06605	2.1
71.04984	5.9
71.08624	2.3
72.83408	1.5
79.05486	12.2
81.03422	2.9
81.06577	4.1
81.07062	84.6
82.48943	2.0
83.04996	5.1
83.08625	14.8
85.02902	9.9
85.06538	11.5
86.09695	3.8
91.05482	9.3
93.07056	30.1
95.04978	6.9
95.08611	53.8
97.02898	6.1
97.06501	9.5
97.10172	9.5
98.21504	2.2
98.97595	2.2
99.08098	6.3
105.07043	22.5
107.08603	29.3
109.02939	2.1
109.06506	3.9
109.10167	42.7
110.44233	1.7
111.08109	3.9
111.11732	22.9
116.10673	2.5
117.07049	2.0
119.08576	16.4
120.08108	3.3
121.06540	2.3
121.10146	33.5
123.04344	1.9
123.08115	3.8
123.11716	53.9
125.06030	2.2
125.09620	4.4
125.13233	1.9
127.11181	5.8
131.08554	5.4
133.10123	10.8
135.08057	2.9
135.11694	13.9
137.06009	2.9
137.09598	2.9
137.13295	9.7
139.11186	24.4
145.10133	6.0
147.11694	15.0
149.09695	2.1
149.13278	12.5
151.11198	5.2
151.14806	7.1
153.12743	7.0
157.12250	5.8
159.11728	4.4
161.13269	7.1
163.11176	2.2
163.14818	5.4
165.12773	13.2
167.14307	3.3
169.12283	3.2
173.13258	4.9
175.14841	7.0
177.12701	2.5
177.16322	3.1
179.14308	4.4
183.10231	2.0
183.13870	4.5
187.14824	3.6
189.16342	5.4
191.17868	2.2
193.15929	2.4
201.16380	3.1
203.18001	2.4
215.17847	2.3
237.18588	2.6
244.15500	2.7
271.24261	7.0
277.25348	7.6
289.25275	26.4
295.26349	25.6
307.26328	70.2
308.26846	1.9
325.27341	10.4
505.35510	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	505.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
53.82739	3.5
55.05502	14.9
55.05746	4.6
57.07075	10.3
59.04987	18.8
65.36684	3.9
67.05499	35.8
67.22329	3.2
69.03414	6.4
69.07072	53.0
70.93696	9.4
71.04969	10.1
72.08150	4.9
78.30978	3.7
79.05496	20.1
81.03423	9.8
81.07054	100.0
83.05002	4.7
83.08620	17.0
85.02907	9.9
85.06531	7.1
91.05473	16.7
93.07043	43.4
95.04971	16.7
95.08604	98.8
97.02872	8.9
97.06507	18.0
97.10172	12.7
99.04449	5.8
105.07026	27.9
107.08601	48.6
109.06548	10.0
109.10153	57.8
111.08076	8.4
111.11704	8.7
115.06559	4.1
115.07562	4.4
115.21411	3.6
119.08587	23.9
121.06557	7.4
121.10143	34.3
121.91859	3.6
123.11720	36.6
125.09653	7.7
127.03886	8.5
131.08580	6.3
133.10120	20.7
135.08072	6.4
135.11711	41.5
137.05965	6.6
137.09625	7.4
137.13255	38.5
139.11180	11.8
145.10144	10.9
147.11678	13.3
149.09602	4.5
149.13243	27.7
151.14839	4.1
157.10175	7.2
159.08058	4.5
159.11690	10.7
161.05925	4.9
161.09544	5.6
161.13283	12.4
163.14932	8.7
165.12732	5.9
168.86037	5.1
171.11510	4.4
172.90002	4.6
173.09714	5.8
173.13216	8.9
175.07500	6.4
175.14848	12.6
176.15034	3.9
177.16383	9.5
187.14774	11.7
189.16437	5.0
203.10696	4.4
203.18034	5.8
205.19547	7.0
231.21091	15.5
246.06941	4.0
249.22093	6.2
267.71091	4.6
271.24207	13.1
277.25394	7.9
289.25195	38.5
295.26636	5.0
307.26288	20.6
308.26471	4.4
312.83514	4.4
325.27255	5.4
355.14780	4.6
487.30695	5.5
505.27026	7.8
506.19400	30.5
506.26489	5.0
506.28763	4.1
516.21173	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	505.337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	3.4
53.49297	2.5
55.05508	17.1
55.39269	2.9
56.96541	3.0
57.07053	6.5
59.04987	12.6
61.49232	2.9
67.05499	25.1
69.03418	6.6
69.06714	4.8
69.07063	43.1
71.04990	7.3
71.60033	3.9
79.05506	17.9
81.03418	6.5
81.07053	90.4
83.04964	6.0
83.08612	15.0
85.02903	8.1
85.06532	4.6
86.09644	2.6
89.40862	3.2
91.05454	15.9
93.07044	42.3
95.04957	9.6
95.08604	100.0
97.02876	3.8
97.06516	16.0
97.10172	9.1
105.01190	3.0
105.07037	21.3
107.08580	35.0
109.06525	2.7
109.10144	44.6
111.08083	5.8
111.11703	8.9
117.06998	4.7
119.08569	17.6
121.10130	30.3
123.11682	23.8
125.09631	3.7
127.03859	4.3
131.08543	5.3
133.10120	11.5
135.11710	29.4
137.05949	4.2
137.13254	38.6
139.11169	7.9
143.08432	2.5
145.10101	7.1
147.11668	9.9
149.13269	31.4
151.11136	3.5
153.09151	2.8
153.12756	3.1
159.11743	7.1
161.13237	8.6
163.14828	6.9
165.09003	3.1
165.12790	3.4
173.13268	5.6
175.14830	9.3
177.16383	6.5
180.16263	3.3
187.14795	4.6
189.16333	4.0
203.88319	2.9
205.19466	6.0
219.21074	4.2
221.15126	3.5
231.21051	12.2
249.21971	2.8
271.24167	11.3
277.25281	10.6
289.25281	31.9
295.26367	4.2
307.26349	28.7
325.27289	7.1
505.28098	4.9
522.22498	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76320	1.9
53.03945	3.0
55.05515	19.4
57.03439	3.0
57.07077	10.2
59.05002	5.3
60.71113	1.9
65.03935	2.2
67.05509	27.8
67.74998	1.9
69.03421	8.7
69.06720	3.2
69.07070	43.1
70.06565	1.8
70.99853	3.7
71.05003	10.4
71.08618	6.8
72.08144	2.4
73.32171	1.8
79.05499	18.8
81.03411	3.2
81.07063	100.0
82.07385	2.6
83.04964	8.0
83.08624	16.5
84.42498	2.0
85.02903	13.8
85.06539	4.9
86.06077	13.4
86.09684	3.5
91.05478	15.3
93.07048	56.7
95.04972	13.3
95.08613	79.8
96.08121	2.2
96.08908	2.1
97.02901	4.7
97.06530	13.4
97.08457	2.1
97.10168	6.7
98.09701	4.5
99.04442	3.8
99.08098	8.8
101.06012	5.7
105.07033	29.2
105.39559	1.9
107.04942	2.7
107.08588	37.7
109.02885	2.5
109.06506	5.9
109.10159	52.0
111.04451	4.0
111.08089	8.1
111.11717	7.6
116.10735	15.5
117.07041	2.4
117.11079	5.5
119.08589	22.2
120.15681	1.9
121.10148	37.5
123.08073	4.7
123.11707	43.6
125.09624	4.6
127.03906	3.8
127.11216	2.4
129.05409	2.1
131.08580	6.0
133.06512	2.2
133.10146	18.7
135.11705	27.9
137.05931	2.5
137.09616	7.5
137.13261	21.2
139.11197	11.4
141.12779	3.5
142.08633	6.6
143.08952	3.0
145.10101	10.4
147.11684	17.8
149.13255	18.8
151.11192	7.5
151.14870	2.7
153.12793	4.7
155.10687	3.9
159.11714	8.8
161.05957	3.0
161.13254	8.1
163.11211	3.0
163.14824	6.4
165.09160	2.5
165.12770	7.7
167.14384	2.6
169.03064	1.9
169.12263	2.8
173.13251	4.2
175.14835	8.7
177.16393	6.9
179.14323	2.1
181.12241	6.7
183.13835	2.5
187.14813	3.3
189.16431	6.2
191.17982	3.1
199.13234	2.2
199.15028	2.0
201.16327	3.4
207.17546	2.3
208.13203	2.9
209.13576	3.0
215.18074	10.1
226.14400	10.1
227.14706	12.3
233.19075	4.5
244.15463	49.5
245.15796	44.6
251.20233	3.2
261.25870	2.6
271.24191	11.5
277.25287	3.1
283.12106	2.5
289.25293	14.9
295.26428	4.2
307.26364	18.6
325.27396	6.6
336.98172	2.2
342.22775	9.0
343.23053	24.0
354.25003	2.0
406.20694	3.4
407.21088	6.1
445.17545	3.1
505.21231	4.4
505.28378	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	505.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19324	2.5
51.98277	3.0
52.08850	2.7
53.03938	6.2
55.01875	4.5
55.05514	14.2
56.96547	3.2
57.03415	4.0
57.07058	4.5
60.53528	2.5
61.02913	4.6
62.34710	2.3
67.05486	16.0
69.03429	18.2
69.07072	17.9
69.29297	13.7
69.29733	15.5
71.04984	23.9
73.02908	3.1
79.05495	20.9
81.03425	14.0
81.07057	100.0
83.04962	5.6
83.08611	9.5
85.02901	36.3
86.06046	3.1
87.00835	15.2
91.05479	15.1
93.07051	46.0
95.04959	9.1
95.08611	41.5
97.02875	16.6
97.06524	7.3
97.10146	6.1
98.97607	3.7
99.04443	5.3
99.08059	8.1
105.01861	19.5
105.07018	33.4
107.08598	63.9
109.02872	9.4
109.06523	3.9
109.10160	41.8
116.10752	5.9
116.98602	3.1
119.08578	41.1
121.10141	18.3
123.08067	6.2
123.11694	21.9
125.09605	5.5
127.03927	22.8
127.11211	26.0
131.08633	3.4
133.10117	40.1
135.08153	2.9
135.11688	96.7
137.09604	5.3
137.13248	6.1
143.10660	12.1
145.04961	7.0
145.10130	8.6
147.11691	30.0
149.09572	5.7
149.13264	19.2
153.12733	5.7
157.10138	3.8
159.11679	9.5
161.13281	17.0
163.14777	5.0
165.12729	4.3
171.11635	4.9
171.38454	2.7
173.13327	3.7
175.14821	6.1
177.16464	3.1
187.11186	3.0
197.13213	3.0
199.14760	2.6
203.17949	72.3
214.18015	10.3
215.18288	12.7
221.18991	78.7
222.19479	3.1
231.04979	3.1
233.19029	5.6
239.20050	11.1
244.15482	4.9
245.15900	7.6
253.15405	3.2
289.25092	3.1
307.26175	4.4
311.20071	3.3
343.23193	5.1
353.94055	2.9
439.20013	3.5
505.28073	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	504.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.8
55.05511	3.4
57.03417	0.8
59.04984	0.6
62.06082	1.7
62.38937	0.5
67.05499	2.5
69.03429	3.9
69.07053	2.3
69.28016	3.5
69.28441	3.1
70.06599	1.2
71.04982	1.3
71.08285	0.7
71.08636	7.0
72.08142	1.4
73.02916	0.8
73.86710	0.5
75.52342	0.5
79.05486	1.8
81.03403	1.7
81.07056	4.9
82.06577	0.8
83.04981	5.1
84.08112	0.8
85.02909	4.9
86.06065	12.7
86.09700	1.3
89.13023	0.6
91.05469	2.0
93.07062	3.2
94.77866	0.5
95.04943	1.6
95.08615	3.7
96.08121	3.8
97.02915	2.7
97.06526	1.9
98.06060	1.2
98.09704	7.8
98.20770	1.0
99.04469	1.2
99.08090	6.1
100.07573	0.8
101.06005	3.4
105.07022	1.9
107.08595	2.2
108.08115	1.3
109.02885	0.7
109.06545	1.0
109.10150	1.6
111.04445	4.3
112.05402	0.7
116.10732	23.5
119.08585	4.4
121.08907	0.5
121.10123	1.8
122.09692	1.0
123.08040	0.6
123.11687	0.7
124.07598	1.0
127.03911	2.1
129.05482	1.7
133.10109	0.9
134.09621	0.9
135.11671	0.8
137.05988	0.9
137.09531	1.4
142.08638	9.1
142.12267	2.5
143.10643	4.5
145.04916	0.9
149.13211	0.5
150.09154	0.5
154.08603	0.8
155.07040	1.5
162.12759	1.0
163.03860	0.6
164.10710	4.6
173.08124	1.4
179.84686	0.6
180.13875	1.3
182.15413	5.7
184.13255	1.0
190.12224	2.9
196.13348	0.7
198.14886	1.7
203.17990	1.0
208.13351	6.5
214.17999	7.9
217.00482	0.6
226.14386	34.6
227.14690	0.9
244.15450	100.0
245.15784	0.7
260.23645	0.6
261.13379	1.8
280.14600	0.6
301.13141	0.6
324.21744	2.7
342.22766	30.6
388.19492	0.9
406.20718	9.9
504.20911	2.4
504.28061	5.1
509.94293	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2809
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31075	0.9
53.03946	1.3
55.05506	5.7
57.03437	1.9
57.07085	1.4
59.04989	1.6
59.25705	1.1
62.06080	1.2
67.05502	2.9
68.13193	0.9
69.03420	5.2
69.07066	4.0
69.91042	6.2
70.06584	2.3
71.04990	2.1
71.08641	5.9
72.08164	1.7
73.02931	2.2
79.05497	2.4
81.03418	3.0
81.07069	8.8
83.04978	3.5
83.08607	1.2
84.04501	1.5
84.08136	1.0
85.02911	8.9
85.06524	1.1
86.06057	7.6
87.04450	1.2
91.05497	3.7
91.15495	1.0
91.40895	1.0
93.07066	5.1
95.04971	2.9
95.08609	5.5
96.08127	3.7
96.08889	1.0
97.02893	4.2
97.06539	5.4
98.06042	0.9
98.09699	4.3
99.04465	2.0
99.08076	5.6
101.06011	3.4
105.01902	1.3
105.07031	3.8
106.07341	1.3
107.08589	5.7
108.08117	1.2
108.08931	1.4
109.02879	2.1
109.06534	1.1
109.10144	4.8
111.04436	3.0
114.09212	1.1
116.10743	21.8
119.08576	4.9
121.06509	2.0
121.10158	3.8
122.09645	3.2
122.10470	1.9
123.11729	1.6
127.03930	3.1
129.05484	2.5
131.08575	1.7
133.10146	3.7
135.08092	1.2
136.11290	1.3
136.41663	1.1
142.08618	3.2
143.08580	1.8
143.10738	2.8
145.04916	1.2
145.10112	2.1
147.06552	1.6
147.11684	4.0
149.09673	1.5
149.13316	1.1
154.08681	1.6
154.15918	2.9
155.07053	1.5
157.10164	1.5
159.11615	1.8
160.12117	1.0
161.13239	1.7
163.11148	2.3
163.14784	1.5
165.09109	1.1
166.15916	2.1
173.08096	1.3
173.13275	1.4
175.14786	1.0
176.78993	0.9
181.57549	1.0
182.15475	1.9
187.14912	1.1
190.12346	1.2
196.16968	7.7
199.14755	1.0
203.17992	1.2
208.13361	1.1
214.18031	100.0
215.18367	1.6
221.15332	2.1
226.14423	12.3
244.12955	2.3
244.15463	39.8
244.19173	1.8
250.18831	1.0
261.13330	1.0
342.22766	20.7
350.10873	1.2
376.23145	3.4
406.20746	7.4
504.27509	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	504.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	6.9
55.01868	6.5
55.05504	17.7
56.14584	3.9
56.96550	6.5
57.03434	7.6
57.07072	4.2
61.02924	9.6
61.40638	4.0
67.05500	37.7
69.03426	18.4
69.07072	26.6
71.04982	3.7
73.02923	11.3
79.05493	22.5
81.03419	26.1
81.07052	68.4
83.08629	14.2
85.02893	43.3
87.00830	9.8
91.05447	28.6
93.07036	67.1
95.04961	10.1
95.08607	82.0
95.09176	7.7
97.02885	22.0
97.06543	9.6
97.10190	7.7
98.97578	4.3
99.04468	10.1
105.01886	21.0
105.07034	79.3
107.04974	4.6
107.08597	68.8
109.02888	17.0
109.06506	6.2
109.10155	63.8
111.08083	7.2
119.08583	66.2
121.10140	39.1
122.87659	3.9
123.11686	9.9
125.09670	14.7
127.03920	41.3
131.08528	7.2
133.10143	39.3
135.11719	23.6
137.13263	7.4
145.04956	21.2
145.10107	7.3
146.99641	4.6
147.11688	57.0
149.13298	7.0
159.02881	11.2
161.13251	17.5
163.14821	10.9
165.12755	10.1
175.14822	28.8
203.17958	100.0
221.19023	9.8
231.05019	14.8
249.06078	5.0
262.07941	4.9
267.09027	6.6
284.09805	10.9
285.10175	11.9
337.04919	4.2
349.17026	4.9
367.17752	8.1
374.15826	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	503.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.4
53.63575	2.5
55.05508	40.5
57.03434	3.0
57.07063	12.1
67.05510	15.0
69.07071	36.3
69.62832	10.5
69.63260	10.1
71.08628	7.4
71.60723	2.9
79.05483	10.4
81.03419	76.2
81.07052	17.3
83.04967	4.2
83.08608	37.8
83.87758	2.6
91.05468	18.2
93.07034	8.7
95.04468	2.8
95.04984	21.4
95.08595	8.9
97.09743	2.2
97.10181	23.5
101.85646	2.9
105.07028	10.3
107.04949	3.6
107.08636	3.2
109.06507	3.0
109.10152	3.2
111.08044	3.2
111.11694	8.8
119.08559	8.3
121.06490	3.4
121.10123	3.5
129.06992	9.8
131.08536	8.1
133.06570	3.1
133.10143	6.2
147.08008	3.6
147.11618	5.3
149.09557	3.2
151.75993	2.7
157.10080	7.3
166.05142	2.9
175.11151	4.6
193.12215	27.5
249.14821	6.3
252.70335	2.8
335.38727	3.3
503.37601	100.0
504.37283	3.5
518.71246	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	503.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40171	2.7
53.03950	6.9
53.80040	3.1
55.01871	3.4
55.05518	23.1
55.56495	2.7
56.96566	3.2
57.03424	4.9
57.07091	5.9
59.04995	6.3
61.02925	6.1
65.03947	3.2
67.05505	26.1
69.03429	23.7
69.07069	100.0
69.07449	5.2
70.06599	3.9
70.77782	10.4
71.04990	13.6
72.08170	5.2
73.02921	4.4
79.05492	29.7
81.03419	8.6
81.07059	90.1
83.04987	9.8
83.08607	15.2
84.08106	2.9
85.02907	40.3
85.06543	10.8
86.09721	5.2
87.04427	2.8
91.05440	24.9
93.07040	81.8
95.04971	21.7
95.08607	77.2
97.02895	24.0
97.06532	18.7
97.10182	8.6
98.97603	3.8
99.04485	3.4
99.08093	7.5
105.07031	51.4
107.08590	46.3
109.02887	5.6
109.06534	10.0
109.10159	47.6
111.08099	9.0
111.11713	20.5
113.09644	3.0
115.03915	3.7
117.07011	6.4
119.08570	31.7
120.08092	2.8
121.06489	5.8
121.10143	78.1
123.08076	10.2
123.11712	77.8
125.09640	11.2
127.03943	10.2
129.06982	3.3
131.08575	16.5
133.10132	73.2
133.11089	5.3
135.08057	9.4
135.11711	25.5
137.06003	7.0
137.09615	8.4
137.13295	8.6
139.11183	41.4
142.07718	3.1
143.08571	5.8
145.04979	5.6
145.10101	24.9
147.08032	3.4
147.11679	25.3
149.09578	6.9
149.13255	18.0
151.11185	11.1
151.70651	3.0
153.12766	5.0
157.10170	9.3
159.11702	16.8
161.09636	5.0
161.13277	11.8
163.11188	4.6
163.14870	6.1
165.12793	6.2
167.05408	3.0
167.10680	12.8
167.14256	3.1
171.11647	4.6
173.13185	7.4
175.11215	3.6
175.14847	11.8
177.12779	6.0
177.16449	11.8
185.13252	3.5
187.14838	10.9
191.14294	3.6
193.15897	6.1
199.14867	4.5
201.16379	5.8
205.15904	3.1
207.17458	3.4
213.16357	7.3
215.17821	3.1
219.17537	2.9
221.15454	6.0
229.12277	3.8
231.17441	4.6
237.30122	2.8
237.89890	2.8
249.18674	3.2
253.10139	3.2
257.22516	5.3
269.22638	18.1
275.23663	3.2
287.23700	24.5
293.24646	3.7
305.24719	36.0
307.22330	3.2
313.51974	3.1
323.25812	82.3
330.27545	2.7
341.27170	4.2
352.98389	3.0
426.17987	4.4
503.24948	5.4
503.34317	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	503.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21783	0.4
55.01863	0.8
57.03425	0.7
59.61967	0.4
61.02937	0.8
65.03939	0.4
66.04731	0.8
67.05512	0.6
69.03442	2.0
69.07026	0.4
69.41489	4.4
70.06579	1.2
72.08147	0.6
79.05485	1.7
80.02082	0.5
81.03402	1.0
81.07064	2.2
84.04498	0.7
85.02905	6.5
86.09711	2.8
91.03955	0.5
91.05472	3.4
93.07037	1.4
94.04168	2.0
95.04967	0.8
95.08598	0.9
97.02887	1.6
98.20786	0.9
99.04499	0.6
103.05466	1.6
104.58851	0.4
105.07036	4.8
107.04926	0.6
107.08630	0.6
109.02853	0.8
109.06509	1.9
109.10152	1.1
115.05433	2.6
117.07019	0.7
118.04131	0.5
119.04930	0.9
119.08594	2.8
121.06495	1.0
121.10139	1.7
122.03651	6.3
127.03883	1.2
128.06235	1.5
128.49797	0.5
129.06976	2.1
129.10202	0.5
131.04929	1.4
132.05716	2.2
133.06512	3.8
134.33560	0.5
137.05980	100.0
138.06279	0.5
145.04932	0.6
145.06482	1.3
147.04424	0.9
147.08060	3.5
149.05963	1.2
155.04919	0.9
156.05615	0.7
157.06525	0.6
159.08055	2.6
160.05232	1.6
161.05983	13.4
162.45566	0.6
163.07562	1.0
167.07053	0.4
171.08063	0.5
172.05174	1.1
173.10155	0.5
173.13150	0.5
175.07550	26.6
179.07022	1.0
184.05183	0.7
185.05978	0.7
187.07536	9.2
189.09140	0.9
190.07803	2.6
191.08572	6.2
199.07567	8.9
202.07761	2.3
203.08522	3.8
205.06544	0.8
208.08961	1.0
217.08597	1.0
218.07320	2.1
219.08044	10.1
220.08763	2.3
221.09618	0.6
231.08072	5.6
232.08760	0.8
233.09697	0.6
235.07549	0.7
235.11110	0.8
236.08354	1.8
244.11444	0.5
246.06985	0.6
246.14812	0.6
247.07579	5.0
248.08340	2.6
249.09105	0.6
251.10684	13.6
259.07532	3.8
260.08371	1.6
261.09149	1.3
262.10083	0.7
263.10764	2.8
264.07806	1.0
265.08493	0.7
275.07187	0.7
276.07788	1.4
277.08661	2.3
279.10162	11.9
280.10916	1.4
281.08081	0.9
289.98544	0.5
290.09387	0.5
291.10196	8.5
292.10919	2.8
293.08102	0.9
293.11398	0.4
295.13281	0.9
296.10422	1.1
305.24762	0.9
308.10373	0.6
311.12775	26.4
323.12778	15.8
341.13867	1.6
485.20639	0.5
503.20605	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	503.1874
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01857	1.9
56.08602	0.5
57.03450	3.1
57.39948	0.5
60.25216	0.5
61.02911	2.1
69.03432	19.6
70.06593	0.8
70.72445	1.6
71.04996	4.7
72.08131	1.5
73.02885	1.7
77.61530	0.5
81.03422	21.3
84.04478	1.6
84.08125	0.6
85.02907	16.1
86.09686	2.4
87.04465	1.3
91.03936	1.0
97.02897	6.7
99.04468	6.8
109.02874	1.5
116.98618	0.7
117.05486	1.8
120.80795	0.6
127.03914	3.1
133.07597	2.2
134.06010	0.7
137.05977	1.2
145.04953	2.7
147.79327	0.6
161.07115	4.9
163.08681	3.6
167.05637	0.6
178.07411	0.7
179.03336	0.7
179.08147	1.1
189.06569	5.0
191.08168	5.6
207.07657	93.5
208.07996	1.3
219.07751	0.9
225.53271	0.6
229.09663	0.8
231.07677	0.6
247.10812	0.7
249.08711	1.0
281.10419	0.7
287.10226	1.0
299.06345	0.7
305.11276	1.7
323.12375	33.6
341.13452	100.0
342.13675	1.3
355.16675	0.6
443.15689	1.3
503.20667	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	500.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48765	2.1
53.03947	3.7
55.01867	4.4
55.05513	21.7
57.03433	19.5
67.05176	3.4
67.05504	52.8
69.03419	3.1
69.07062	14.5
70.05804	7.1
70.06202	4.4
71.01360	3.5
71.04980	8.1
79.05055	3.7
79.05490	48.0
81.03416	56.5
81.07057	38.4
83.04977	17.2
83.08614	23.7
85.02904	17.7
91.05479	37.7
93.07041	52.1
95.04967	27.9
95.08611	15.5
95.51169	1.9
97.06535	14.1
97.10177	12.5
99.08089	3.5
102.44840	1.9
105.07034	22.1
106.07368	2.1
107.04952	8.3
107.08584	25.7
109.06516	5.3
109.10123	4.6
111.08061	6.1
113.05996	2.2
115.05466	3.3
116.10722	2.1
117.06985	5.4
119.08579	18.8
121.06487	3.8
121.10162	13.9
123.08106	4.9
123.11680	2.3
125.09623	3.2
125.98607	2.2
128.89993	2.5
129.06993	6.2
131.08577	14.7
133.10103	13.6
135.11679	41.8
145.10109	8.8
147.08035	2.3
147.11687	12.2
149.09589	4.6
151.07396	2.3
157.10144	16.4
160.40405	2.1
163.11197	6.6
165.16263	2.6
171.08073	2.3
175.11188	11.6
181.12219	13.3
193.12227	38.3
211.13278	64.0
219.42168	2.2
234.15887	2.6
249.14877	2.4
255.15915	100.0
267.15836	21.5
285.16953	42.3
311.42902	2.2
402.28445	5.0
421.25296	2.8
446.97433	2.3
447.27408	44.5
465.28476	89.1
466.28717	4.2
500.30423	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	499.1217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.1
56.96564	12.3
67.05508	2.7
69.03419	1.9
69.07063	1.5
70.06598	3.2
70.57245	2.1
71.04993	3.4
71.23294	0.8
72.08145	2.0
73.02917	1.2
75.57885	0.7
79.05492	1.3
81.03408	1.5
81.07055	2.8
83.04980	2.6
84.08150	2.5
84.96035	6.3
85.02910	5.5
85.06551	2.1
86.09701	2.8
87.04479	0.9
91.05505	5.4
92.05825	0.8
93.19848	0.8
94.12182	0.9
95.04990	1.0
95.08619	3.8
97.02895	2.1
98.20883	1.1
98.97588	13.0
105.07053	2.4
107.04957	1.1
107.08565	0.9
109.02879	1.0
109.10168	2.3
110.97562	1.2
111.04438	1.3
111.08061	1.1
116.98625	9.5
117.07051	1.1
119.04912	1.1
119.08593	1.0
121.02841	2.0
121.10149	1.8
127.03943	1.8
128.98628	2.9
131.00201	3.1
133.10114	1.0
134.99673	5.4
137.06050	1.6
137.09665	1.1
140.98665	0.9
143.00177	3.8
145.10104	1.1
146.99675	3.9
149.01253	3.7
151.11206	1.1
153.00719	1.1
158.99664	4.8
161.01228	15.4
162.99115	1.7
163.11151	0.9
169.15909	1.8
173.01241	1.4
177.00706	7.8
179.00281	1.1
179.02275	4.9
184.02754	1.0
185.01279	3.2
187.02762	1.4
187.14445	0.9
187.16850	1.1
189.00650	1.7
195.02986	2.5
197.01190	4.2
199.39622	0.8
200.02333	1.2
201.00717	4.9
203.02113	5.8
205.17978	1.9
209.01163	1.0
212.58649	0.9
213.00792	0.9
215.02179	1.7
219.01770	15.3
221.03278	1.2
224.08067	1.0
227.02283	9.9
229.03830	0.9
229.07346	0.8
237.02841	7.7
242.03308	1.5
245.03418	3.0
251.02295	2.3
255.08383	1.0
269.03421	2.6
273.02820	2.3
281.08224	1.0
287.04562	1.5
289.05948	1.4
292.05164	0.8
295.05975	13.4
305.10675	1.8
307.06018	3.8
309.07666	1.8
321.07498	5.7
323.09470	2.0
325.07059	6.9
333.07617	3.2
335.04877	1.5
337.07092	1.3
347.06488	3.1
349.07095	7.5
351.08841	1.7
353.05530	2.2
361.07059	2.7
365.07510	1.7
379.08099	11.5
397.09164	12.8
409.08847	1.5
415.10202	4.4
430.53287	0.8
463.10056	2.4
481.11069	8.7
499.12125	100.0
500.12094	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00790	2.2
56.96563	21.2
58.18736	1.8
58.74226	1.9
62.88831	2.1
70.06588	2.3
71.58235	3.6
82.99829	3.7
84.95978	9.0
85.02868	4.7
85.51813	2.3
97.02814	2.1
98.97580	52.6
101.00835	7.4
103.02427	2.9
110.97535	12.8
112.26539	2.2
112.89571	10.9
116.98625	37.3
119.01153	2.8
119.01902	27.1
121.03449	2.5
127.02336	6.1
127.03850	2.5
128.98592	24.7
131.00098	4.8
131.01895	12.6
133.03448	14.8
134.99652	14.9
137.02904	3.4
140.00153	3.0
140.98596	4.8
143.00084	9.4
143.01918	16.6
145.03464	42.1
146.99629	22.2
147.01341	2.4
149.01077	6.6
149.02921	5.0
151.04405	9.2
155.01898	21.9
156.98021	6.4
157.03445	18.0
158.71532	2.4
158.99655	20.8
161.01318	16.3
161.02940	35.3
163.04425	4.6
165.00644	3.2
167.01921	9.6
168.04994	2.5
169.03403	4.3
170.99533	19.7
171.01076	4.4
171.04890	6.5
173.01360	3.4
173.02946	49.1
174.99152	50.1
175.04482	13.9
177.00725	23.3
177.47910	2.1
179.01967	2.8
181.03328	2.7
182.99516	6.9
183.01036	2.2
185.02945	45.0
187.04353	9.7
189.00771	30.2
189.02344	6.6
189.05946	2.6
191.02234	3.2
191.03885	11.1
193.00209	100.0
195.01668	2.9
196.04457	4.5
197.02972	18.1
199.04410	5.3
200.98953	2.9
201.00713	41.3
201.05984	5.3
203.04016	14.8
203.49898	2.6
205.84949	2.1
207.01689	4.0
209.02866	3.4
211.01076	6.8
211.04359	7.4
213.00589	3.6
215.03842	8.3
217.00031	28.1
217.01837	25.8
217.03690	2.6
217.05405	11.0
219.01765	45.0
221.03058	2.9
221.04945	6.0
227.03888	7.4
229.01823	7.0
229.05452	3.7
231.01509	5.5
235.00998	16.7
235.03291	10.9
235.06549	4.4
237.02814	32.6
243.01796	14.5
245.05069	85.0
247.00957	6.7
247.02985	4.6
247.06508	4.5
255.03683	8.0
257.04852	8.4
261.02798	49.4
263.06232	15.2
265.07407	2.9
275.06104	17.8
277.01697	4.1
277.03961	8.3
277.07474	7.2
279.01358	2.2
279.03796	24.7
289.07288	3.0
291.03653	9.5
293.05026	3.3
295.08762	18.0
301.04102	3.9
305.06766	10.6
307.08533	5.4
311.06326	4.9
319.03253	21.5
319.08289	3.2
321.01651	2.5
321.04865	29.6
333.04831	5.1
335.07935	6.8
335.15695	2.5
337.04440	29.1
337.09698	5.8
351.06018	10.6
365.09216	12.2
371.08136	3.0
379.04974	5.3
381.07019	12.3
399.08063	15.1
439.13004	25.6
453.83661	2.3
466.57645	3.5
481.08621	21.8
499.09656	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	33.8
61.02924	3.9
69.03433	5.3
69.47215	22.5
70.06580	4.0
78.36523	3.0
84.96034	10.2
85.02911	11.5
97.02891	6.4
98.20781	6.6
98.97584	73.2
101.00885	3.6
101.91447	3.0
103.02514	3.0
110.97584	10.7
112.89590	6.1
113.00896	2.8
114.89478	2.8
116.98627	54.4
119.01923	31.3
127.03841	3.4
128.98596	30.7
131.00183	6.9
131.01903	16.5
133.03490	15.3
134.99654	27.1
137.02968	4.7
138.66426	2.7
140.98621	8.3
143.00162	6.6
143.01869	20.4
145.03470	50.8
145.04732	4.2
146.99657	35.7
149.01204	13.9
149.03008	4.5
151.04544	10.4
155.01926	20.9
156.98116	6.1
157.03502	15.6
158.99670	34.9
161.01250	23.3
161.02948	32.1
161.70903	3.4
163.04492	10.0
165.00755	8.7
167.02110	9.2
169.03534	4.3
170.99666	23.1
171.01285	6.1
171.05046	4.5
173.01385	6.7
173.02966	49.5
174.99167	45.0
175.02867	9.0
175.04532	13.6
177.00706	40.5
179.02184	7.1
182.65370	3.1
182.99681	9.9
184.04504	4.1
185.02972	49.3
187.04529	9.2
189.00717	39.0
189.02319	5.1
191.02194	4.8
191.03969	7.4
192.98439	5.3
193.00211	100.0
195.01775	4.7
197.02960	18.1
199.04568	6.4
200.02409	4.3
201.00710	57.5
201.06052	8.0
202.89310	3.2
203.02403	4.0
203.04041	21.6
205.05635	6.1
207.01813	4.2
207.82422	3.0
209.03174	4.4
211.01289	10.8
211.04640	6.1
213.00639	5.1
215.04008	11.2
216.01900	7.6
217.00159	34.0
217.02013	28.5
217.03770	5.8
217.05586	13.6
219.01762	71.6
219.03906	4.0
221.05109	8.1
227.04034	10.1
229.01988	7.8
231.01776	7.0
235.00970	23.5
235.03389	15.3
237.02826	46.4
242.03397	5.2
243.01726	19.2
245.05109	85.9
247.00995	4.8
247.03067	8.4
247.06639	5.9
249.02745	3.5
255.03969	8.3
257.05054	10.7
261.02802	73.3
263.06223	14.0
273.02750	4.3
275.06247	14.2
277.04166	11.8
277.07535	5.5
279.03827	45.0
291.03909	10.7
293.05206	8.5
295.08759	10.6
301.04007	8.7
302.05475	9.7
305.07004	12.4
307.08694	12.4
311.06635	5.4
319.02832	23.1
321.04877	36.9
333.04855	6.7
335.08041	4.6
337.04776	30.7
351.06018	12.9
353.07742	5.8
365.09238	9.8
371.08420	4.8
372.57385	3.5
379.04922	5.4
379.09451	5.8
381.07120	15.2
399.08298	16.9
401.06079	5.3
439.12949	27.5
481.08716	26.2
499.09509	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	2.3
55.05494	5.2
55.19655	1.2
56.96561	1.6
57.03444	7.3
59.04997	3.1
59.08448	1.1
66.89204	1.1
67.05495	3.1
69.03423	4.0
69.07057	7.2
70.17822	1.4
70.36744	2.9
70.37139	2.7
71.04995	46.8
71.08632	47.4
73.02907	1.5
74.09680	1.3
74.65659	1.3
75.04456	2.9
79.05492	2.8
80.31852	1.2
81.03410	2.7
81.07046	6.1
82.07391	1.5
82.08859	1.4
83.04984	7.8
83.08647	1.5
83.30792	1.2
85.02907	65.5
91.05469	2.2
93.07028	3.5
93.98762	1.2
95.08607	2.9
97.02892	5.5
97.06498	2.6
99.04449	2.4
99.08092	100.0
100.08379	1.4
105.01890	1.6
105.07008	1.5
107.08585	1.8
109.02898	1.7
109.06495	2.0
109.10154	4.0
111.04424	3.1
119.08598	1.7
121.10134	2.9
122.09656	4.5
123.11648	1.7
124.07566	4.2
125.05956	1.4
127.03909	4.7
129.05479	15.2
129.12741	14.0
133.10100	2.4
135.11638	2.4
145.04945	2.2
146.05969	2.8
147.06540	8.4
149.13263	1.6
155.08502	3.5
155.14288	3.4
164.09186	2.0
168.82457	1.3
173.15373	77.4
174.05652	1.6
189.67853	1.5
191.14305	1.5
195.06725	1.5
198.14937	3.1
212.16582	2.1
225.10219	1.5
266.10126	1.5
280.14383	1.6
296.30618	1.4
299.10019	1.5
330.15768	1.6
340.10391	2.1
341.10904	4.8
373.13190	6.1
379.99930	1.5
466.19254	5.8
467.37302	1.6
498.27652	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	1.4
55.01870	4.2
55.05513	9.9
56.96559	1.3
57.03438	7.9
57.07064	1.5
59.04985	0.8
60.04530	1.1
61.02904	2.7
67.05171	1.4
67.05502	16.5
69.03437	3.6
69.03747	0.9
69.07064	5.7
69.29115	2.8
69.29537	6.5
70.06581	1.7
71.01334	1.5
71.04980	3.3
71.99210	0.7
73.02906	2.3
79.05494	12.5
81.03417	13.9
81.07053	13.5
82.04188	4.4
83.04983	5.9
83.08616	6.9
84.02089	0.9
84.05756	0.9
85.02901	8.0
85.06528	1.6
86.09717	1.8
88.53959	0.7
91.03958	1.5
91.05474	11.2
93.07039	11.7
94.04129	0.8
95.04967	12.0
95.08611	7.0
95.19347	0.8
96.08118	1.2
96.80202	0.7
97.02905	5.1
97.03410	0.9
97.06524	4.1
97.10167	9.2
98.07305	3.6
99.08107	1.2
104.10716	3.0
105.07035	6.6
107.04955	3.3
107.08604	7.8
109.02879	1.2
109.06505	3.5
109.10161	4.2
110.09675	1.9
111.04459	1.5
111.08076	3.1
113.06018	0.9
115.03916	0.8
116.04700	6.4
117.06979	2.3
119.08570	5.2
120.08070	2.0
121.06465	1.7
121.08866	0.8
121.10155	2.5
123.08089	4.5
123.11666	1.8
124.07578	1.5
124.99953	1.0
125.09627	9.8
127.03899	1.9
127.11195	2.2
129.05476	15.9
129.07002	2.2
130.04987	1.0
130.07779	0.9
131.08568	3.7
133.10117	4.6
135.08020	1.6
135.11679	3.4
137.05974	1.5
137.09621	3.7
138.09131	8.5
142.08694	0.9
143.07016	3.3
145.04887	1.0
145.10104	4.1
147.08014	1.2
147.11713	3.9
149.09633	2.7
151.07599	0.9
153.09154	1.5
153.12785	1.3
155.14296	2.5
157.08591	6.0
157.09981	1.8
159.11688	1.0
161.09647	1.0
163.11249	4.2
165.12746	1.1
166.08643	1.6
171.10161	2.3
173.15440	1.0
175.11143	2.8
181.12215	1.8
189.11221	6.0
191.10661	2.3
193.12257	6.2
199.13275	1.4
200.14078	0.9
209.11737	2.1
210.12415	1.5
211.13304	0.9
227.12781	24.0
238.08002	0.7
267.15927	19.3
283.15469	9.8
284.15997	3.9
285.16949	2.4
301.16452	100.0
302.16727	2.5
319.17490	0.9
481.18033	1.0
498.19321	1.0
498.30746	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	498.2549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
53.87432	1.3
55.01871	6.3
55.05514	11.3
56.96563	1.4
57.03438	8.2
57.07082	2.7
61.02933	2.1
65.03938	2.2
67.05506	16.5
69.03433	5.4
69.07076	6.0
70.06596	2.1
70.18983	3.5
70.19381	2.3
71.04996	5.1
73.02925	3.3
79.05501	13.5
81.03428	15.2
81.07061	15.0
82.04210	4.3
83.04981	6.8
83.08630	5.6
84.04498	1.6
84.05754	1.7
85.02915	11.0
85.06544	3.5
86.06755	1.3
86.09702	1.6
91.03952	1.6
91.05476	13.5
93.07048	15.7
94.06577	2.1
95.04961	11.4
95.08603	8.3
96.08105	1.8
97.02888	6.6
97.06539	4.4
97.10181	7.9
98.07309	5.0
104.10762	2.4
105.07031	8.1
107.04961	4.1
107.08614	8.1
108.08170	2.4
109.06526	4.2
109.10158	4.0
110.09701	3.0
111.04495	2.4
111.08085	3.5
116.04710	4.8
117.07010	2.2
119.08602	7.2
120.08105	4.9
121.06564	1.5
121.10143	5.8
123.08064	3.9
123.11713	2.3
124.07587	3.2
125.09635	10.7
127.03925	2.4
129.05486	13.8
129.07024	1.8
130.05000	2.4
131.08597	3.2
133.10150	4.5
135.08090	2.3
135.11684	4.1
136.07643	2.1
137.09633	4.3
138.09155	12.4
143.07057	4.1
145.10117	3.5
147.08034	1.8
147.11693	6.7
148.11971	1.5
149.09663	3.1
155.14293	2.0
157.08597	6.9
157.10054	3.0
161.13333	1.7
163.11220	3.9
171.10153	2.9
175.11220	3.9
181.12349	2.1
189.11247	6.6
193.12257	6.0
209.11624	2.9
214.07466	1.6
227.12814	27.4
267.15942	17.1
283.15421	11.4
284.16183	3.2
285.16907	2.2
287.06323	1.5
287.88507	1.3
299.09692	1.5
301.16492	100.0
302.16681	2.1
318.15445	1.4
325.08292	1.5
348.37366	1.4
498.19513	2.1
498.31595	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	498.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	7.0
53.04160	1.3
55.01876	6.7
55.05515	7.6
57.03432	7.2
57.07071	10.3
59.05004	36.5
60.05303	1.2
61.02927	6.6
64.02135	1.1
67.05505	3.8
68.16056	1.3
68.32738	1.3
68.99796	2.6
69.03082	1.5
69.03432	28.4
69.07072	41.3
69.29611	14.9
71.04994	8.1
71.08636	6.8
73.02917	6.1
73.06554	9.8
79.05499	3.4
81.03426	24.5
81.07063	11.4
82.07406	1.5
83.04993	2.7
83.08605	4.0
85.02909	88.9
85.10182	2.7
87.00837	39.1
87.04465	15.1
87.28313	1.4
89.06033	1.3
91.05469	1.6
93.07043	3.2
95.04990	2.1
95.08610	3.5
97.02279	2.4
97.02901	43.1
97.06516	3.0
97.10172	4.3
98.21439	2.8
99.04459	17.2
105.01874	72.3
105.04850	2.1
105.05508	26.4
105.06971	1.5
107.08595	3.2
108.04501	1.6
108.77563	1.5
109.02884	30.4
109.10148	9.7
111.04444	2.1
111.11724	42.2
115.03951	1.8
115.11208	3.8
117.01833	3.9
117.05492	1.6
121.06551	1.3
121.10110	1.8
122.09716	3.0
123.11677	3.3
124.07593	3.2
124.99993	1.9
125.09672	1.2
127.03928	69.1
127.11209	17.6
129.01868	1.5
129.12766	100.0
133.10121	2.4
140.07072	1.9
145.04965	27.1
145.10120	1.4
145.12230	4.0
146.06020	1.6
146.08107	1.3
147.11652	1.3
149.13507	1.5
150.09207	1.4
159.02916	11.8
159.11720	1.7
168.06599	2.2
169.10095	2.2
170.15457	1.5
173.15353	3.7
174.05507	1.8
189.03853	3.3
195.06586	1.5
206.08112	1.9
211.08716	3.6
213.03957	6.8
213.10199	1.6
215.16417	5.2
225.10240	3.7
231.04990	25.3
233.17442	10.7
237.14861	1.8
239.11760	4.0
249.06053	11.5
253.09680	2.7
264.10229	1.5
267.11295	5.5
280.14395	1.9
295.10797	2.1
297.12476	2.5
300.23318	1.5
301.14661	1.8
308.23669	1.9
313.11816	16.5
315.75146	1.3
324.05884	2.1
326.24841	2.5
341.11270	7.4
341.15512	2.1
344.25845	26.3
359.12534	2.1
359.16876	3.2
362.07208	1.3
373.13962	41.3
406.21399	1.9
432.91315	1.4
445.20758	1.8
466.19614	4.5
495.99329	1.5
498.26233	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	498.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	7.5
55.01857	7.7
55.05498	6.4
56.49648	1.5
57.03416	4.6
57.07076	9.0
59.05001	40.1
61.02914	4.7
67.05487	3.9
68.99796	2.1
69.03426	27.5
69.07069	36.4
69.56949	2.9
69.57359	9.9
70.73785	1.5
71.05008	7.7
71.08608	5.8
73.02907	6.4
73.06544	8.5
77.06022	3.0
79.05522	1.8
81.03412	22.1
81.07062	7.6
81.46713	1.6
83.05006	1.8
83.08612	3.3
85.02904	89.1
85.10172	3.7
86.03272	1.8
87.00826	36.3
87.04462	20.6
87.50744	1.5
93.07027	2.4
95.08605	3.5
97.02888	42.2
97.06490	1.6
97.10170	4.9
99.04455	14.0
99.08104	1.9
105.01862	67.9
105.02564	3.3
105.04852	2.6
105.05504	35.3
107.08617	2.0
109.02880	30.6
109.06487	1.7
109.10172	11.1
111.11716	40.7
115.03944	2.7
115.11193	3.4
117.01843	3.3
121.10071	1.7
122.09663	2.9
125.00013	2.7
127.03915	76.9
127.11184	26.3
129.01778	3.5
129.05484	1.9
129.12752	100.0
133.10123	2.4
143.20592	1.6
145.04958	29.9
145.10208	2.0
145.12213	5.6
146.52086	1.5
147.02882	3.9
147.24178	1.5
159.02879	13.6
169.10109	5.1
173.15424	3.2
185.13492	1.7
187.14700	1.8
189.03864	2.0
211.08502	2.7
213.03934	7.4
215.16409	7.3
231.05002	27.8
233.17516	14.7
239.11850	2.1
249.06027	14.1
253.09720	3.3
267.11169	4.5
295.10825	2.0
297.12143	3.0
301.14371	2.1
313.11823	13.1
326.24695	2.4
335.09735	1.6
341.11359	7.9
341.15082	1.7
344.25873	17.9
359.17108	2.5
363.34833	1.7
373.13937	32.1
374.14679	2.1
463.27618	1.9
466.19614	4.3
498.26312	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	497.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85537	1.9
53.03937	9.0
55.01869	5.2
55.05515	23.6
57.03439	30.6
61.02926	59.8
65.03927	4.4
67.05506	100.0
68.05869	2.2
69.03434	44.4
69.07063	20.1
71.01340	7.5
71.04991	11.0
71.37180	2.6
71.86416	1.9
73.02915	28.9
75.04471	4.6
79.05494	58.1
80.15772	1.8
81.03422	27.1
81.07058	95.5
83.04966	9.0
83.08628	10.5
85.02905	75.0
85.06499	4.7
87.04482	3.7
91.03951	37.5
91.05479	35.7
93.07042	69.6
95.04968	12.9
95.08607	80.9
97.02283	4.6
97.02893	53.7
97.03510	3.0
97.06535	5.9
97.10193	5.2
99.04453	11.3
99.08087	2.9
101.02377	13.4
103.03951	11.1
105.07024	28.6
107.04992	3.9
107.08586	38.4
109.02872	12.3
109.06496	6.5
109.10152	39.9
109.10858	1.5
111.04415	5.1
111.08080	2.5
115.03917	3.6
115.05412	2.6
117.05555	2.3
117.07012	15.1
119.08576	21.6
119.09358	3.0
121.10143	28.9
123.08052	6.2
123.11713	12.8
125.09621	2.8
127.03927	22.7
129.05478	7.3
129.06995	6.4
131.08554	19.5
133.06483	2.1
133.10138	18.9
135.08130	2.6
135.11703	22.9
137.13268	3.0
143.08549	4.8
145.04941	6.4
145.10098	16.1
147.11697	15.4
149.09604	5.7
149.13263	13.9
151.11172	3.0
155.07053	2.6
155.08453	2.3
157.10149	4.6
159.11705	11.8
161.13283	12.5
163.14812	7.2
169.10182	2.6
171.11725	2.8
173.13269	11.0
175.14784	3.2
177.12767	3.3
177.16431	3.4
183.06548	6.5
185.13284	5.5
187.14825	4.2
201.07616	4.3
201.16376	3.4
243.21100	8.2
259.20309	2.4
261.22183	24.0
273.22345	2.7
277.21680	2.1
289.21490	2.1
301.21475	2.6
303.23148	5.6
315.23160	4.3
317.24762	2.7
327.23059	2.5
335.25797	86.8
351.23074	3.1
363.25134	3.5
369.24008	4.2
375.25128	2.1
377.26758	2.2
405.26389	2.2
419.27823	2.3
443.28171	4.5
461.28949	5.6
479.29834	8.6
497.31009	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05045	0.6
57.03440	0.3
57.07074	0.7
57.28020	0.3
58.06607	0.4
60.07886	0.4
60.08164	5.4
67.05484	0.7
69.04193	0.3
71.07372	1.9
71.08614	0.4
81.07062	0.3
86.09703	27.7
95.08599	0.4
98.21582	0.6
98.98457	2.1
104.10726	3.1
108.36775	0.3
112.24960	0.3
125.00004	18.8
151.92371	0.3
158.34447	0.3
166.02606	0.3
179.48738	0.3
184.07335	100.0
185.07646	0.6
200.04695	0.3
229.52365	0.4
291.29208	0.3
329.05490	0.3
478.32974	1.1
496.34042	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	497.1765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
55.01864	0.7
55.05506	1.3
55.70119	0.5
55.72424	0.6
56.96547	0.7
57.03431	1.0
57.07068	1.0
61.02910	0.8
67.05504	4.2
69.03427	5.3
69.07069	36.5
69.76453	2.6
69.76856	1.3
71.04987	1.6
79.05495	1.2
81.03414	4.8
81.07053	6.5
83.08611	1.5
85.02905	7.2
85.06529	0.9
87.04494	0.8
91.05486	1.5
93.07037	2.3
94.06553	1.9
95.04965	1.5
95.08612	3.2
97.02899	3.7
97.06533	7.3
98.20833	1.1
105.07045	1.3
107.04899	0.6
107.08593	2.3
107.44329	0.6
109.02901	0.8
109.06504	0.8
109.10151	2.1
119.08591	1.3
121.10141	2.0
122.06023	4.3
123.04433	7.2
124.04771	2.0
124.07596	1.3
125.06049	1.2
126.09166	2.8
127.03909	2.1
131.08572	1.1
135.11681	0.9
136.97682	0.6
137.05977	2.0
137.09645	1.0
138.04578	0.6
138.05443	3.1
140.07069	4.1
142.08771	0.6
144.08141	0.7
145.08824	0.8
146.09616	1.9
147.06798	0.9
147.11629	0.6
150.05507	46.1
151.07510	1.0
153.12744	0.7
157.08875	1.0
157.10153	0.9
161.08380	2.1
162.09129	1.9
163.14920	0.8
166.04994	10.7
166.06310	1.0
172.11205	1.3
173.08284	0.9
174.09151	1.4
174.12816	4.7
176.03452	3.4
178.04927	0.9
182.04506	0.8
185.08310	1.2
190.12352	3.2
192.02989	1.1
193.12259	1.4
194.04398	1.5
194.12617	1.7
198.09274	0.9
198.14816	1.2
200.07115	0.8
200.10710	4.2
202.12289	4.7
206.11577	0.9
216.10268	2.5
218.08200	0.8
218.11758	14.6
226.14279	0.8
228.10197	9.1
229.13376	1.4
234.11241	1.8
239.77516	0.6
243.11360	1.1
244.09642	1.2
245.12914	1.2
246.11266	12.9
248.12787	4.4
249.13228	5.6
263.23688	1.0
268.16107	0.7
271.10843	2.8
272.09149	2.3
272.99344	0.7
273.12314	1.5
274.10715	1.9
281.24625	1.5
285.16821	0.9
286.17340	2.1
287.10239	5.9
289.11783	5.5
299.10263	4.6
299.25769	1.4
317.11325	24.7
317.20969	0.7
318.09589	1.1
335.12369	100.0
336.12686	1.2
339.95309	0.7
446.87183	0.8
453.20953	0.8
497.18466	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	496.3399
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
55.05501	0.5
56.05027	1.1
57.03429	0.4
57.07076	3.0
58.06610	1.6
59.53272	0.3
60.08163	14.6
62.21753	0.3
62.32528	0.3
67.05492	0.9
69.07023	0.8
71.07014	0.8
71.07373	5.6
71.08641	1.8
81.07038	0.6
83.08612	0.8
85.10178	0.9
86.09706	46.7
95.08586	1.3
97.10175	0.3
98.98461	3.7
103.07550	0.3
104.10744	100.0
105.11042	0.3
125.00007	25.0
140.83249	0.3
143.01108	0.4
161.05182	0.4
163.01549	0.5
184.07341	91.8
185.07623	0.6
211.72495	0.4
240.66518	0.4
258.10989	0.7
313.27347	2.0
388.05966	0.4
394.45554	0.4
419.25418	0.5
478.26196	0.4
478.33005	8.3
496.34012	40.2
497.34390	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.59396	0.7
55.01873	1.1
55.05505	6.4
57.03183	1.0
57.03437	11.8
57.72431	0.7
59.04985	1.9
60.04528	1.0
61.02922	2.7
65.03899	0.7
67.05509	4.9
67.87080	0.7
69.03420	3.7
69.07064	2.3
70.06580	2.3
71.01369	0.9
71.04993	82.4
71.50735	1.0
73.02920	3.8
75.04484	6.1
79.05494	5.1
81.03402	2.0
81.07059	13.7
83.04984	11.1
83.08613	7.9
84.08128	1.0
85.02905	100.0
85.06546	0.7
86.03233	0.9
86.09711	2.8
87.04456	2.8
91.05482	4.2
93.07047	28.5
95.04965	2.6
95.08607	19.1
97.02906	4.6
97.06528	16.0
97.39828	0.8
99.04472	1.8
101.09650	1.6
103.03950	1.1
105.07011	3.8
107.08594	36.8
109.02859	1.3
109.06522	2.5
109.10152	23.5
111.04449	6.0
111.08055	1.5
113.09650	0.9
115.03937	0.9
119.08546	1.5
121.10140	2.1
123.11712	13.6
126.09154	1.6
127.03922	4.4
129.02805	0.8
129.05475	34.3
133.10092	1.3
134.30595	0.7
135.11691	62.8
136.07578	1.0
137.02341	3.8
138.02731	0.7
141.12761	2.3
145.04950	2.3
146.08142	1.5
147.06526	15.8
153.01918	2.3
153.12750	34.0
164.09250	2.4
167.10747	1.9
171.13799	64.2
178.29520	0.7
187.27481	0.7
193.32309	0.7
195.22462	0.7
237.14955	0.9
243.10278	1.5
255.08757	1.8
257.04636	1.2
258.05154	0.9
259.05753	1.0
273.09705	2.5
274.04413	1.1
286.04721	1.8
287.05231	4.4
288.05823	2.2
303.05029	2.1
309.11942	2.4
319.04559	1.7
320.04895	4.5
321.05774	1.7
460.29028	1.5
478.28891	0.8
496.18927	1.1
496.34058	4.8
497.09525	1.1
497.19937	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
55.01862	0.7
55.05500	1.6
57.03431	3.7
59.04999	1.5
61.02904	0.6
64.52854	0.7
67.05491	2.1
69.03427	2.7
69.07068	6.9
69.68064	4.8
70.06597	0.9
71.04990	24.8
73.02913	0.7
73.06551	2.6
73.18999	0.5
75.04480	1.4
79.05494	3.3
81.03423	7.9
81.07056	15.7
83.04973	5.1
83.08614	2.0
85.02905	29.5
85.06551	1.3
86.03246	0.9
86.09716	0.7
87.04523	0.5
91.05502	2.8
93.07046	10.5
95.04998	3.2
95.05546	0.7
95.07359	0.7
95.08591	3.5
95.19985	0.6
96.08126	0.8
97.02895	2.6
97.06528	2.1
98.97592	1.0
99.04449	1.1
103.03957	0.7
105.07043	1.8
106.34651	0.6
107.08595	8.4
109.02827	0.7
109.10145	2.9
110.09656	1.9
111.04463	3.0
111.08071	1.1
117.07010	0.6
119.08588	1.9
120.08102	3.5
121.10178	0.9
123.04440	1.9
123.19870	0.6
127.03936	3.0
129.04620	0.9
129.05492	10.6
131.08525	1.0
133.10133	1.9
135.11690	16.7
137.09572	0.7
138.09132	10.3
139.09410	0.6
140.07043	0.7
145.04942	1.7
145.10091	0.8
147.06508	6.4
148.07574	0.7
150.05516	6.4
153.12743	100.0
154.13028	0.9
157.10165	1.2
160.47595	0.6
163.06042	0.7
166.05003	1.2
171.13799	1.4
174.09129	0.7
175.11171	1.2
193.12239	4.9
200.05200	0.7
205.03876	0.6
218.11806	1.8
218.73128	0.7
228.10207	1.6
237.07527	0.9
246.11235	1.5
248.12776	1.3
255.08614	1.0
267.15781	2.9
267.19858	0.6
273.09717	1.8
285.16995	8.5
289.11798	1.0
299.10196	1.1
299.18631	0.7
309.11804	2.4
317.11353	2.8
317.19653	1.1
322.68640	0.7
335.12421	10.5
387.30713	0.7
468.21286	2.6
478.28482	1.3
496.19116	2.3
496.35229	0.8
497.19852	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	496.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
53.59396	0.7
55.01873	1.1
55.05505	6.4
57.03183	1.0
57.03437	11.8
57.72431	0.7
59.04985	1.9
60.04528	1.0
61.02922	2.7
65.03899	0.7
67.05509	4.9
67.87080	0.7
69.03420	3.7
69.07064	2.3
70.06580	2.3
71.01369	0.9
71.04993	82.4
71.50735	1.0
73.02920	3.8
75.04484	6.1
79.05494	5.1
81.03402	2.0
81.07059	13.7
83.04984	11.1
83.08613	7.9
84.08128	1.0
85.02905	100.0
85.06546	0.7
86.03233	0.9
86.09711	2.8
87.04456	2.8
91.05482	4.2
93.07047	28.5
95.04965	2.6
95.08607	19.1
97.02906	4.6
97.06528	16.0
97.39828	0.8
99.04472	1.8
101.09650	1.6
103.03950	1.1
105.07011	3.8
107.08594	36.8
109.02859	1.3
109.06522	2.5
109.10152	23.5
111.04449	6.0
111.08055	1.5
113.09650	0.9
115.03937	0.9
119.08546	1.5
121.10140	2.1
123.11712	13.6
126.09154	1.6
127.03922	4.4
129.02805	0.8
129.05475	34.3
133.10092	1.3
134.30595	0.7
135.11691	62.8
136.07578	1.0
137.02341	3.8
138.02731	0.7
141.12761	2.3
145.04950	2.3
146.08142	1.5
147.06526	15.8
153.01918	2.3
153.12750	34.0
164.09250	2.4
167.10747	1.9
171.13799	64.2
178.29520	0.7
187.27481	0.7
193.32309	0.7
195.22462	0.7
237.14955	0.9
243.10278	1.5
255.08757	1.8
257.04636	1.2
258.05154	0.9
259.05753	1.0
273.09705	2.5
274.04413	1.1
286.04721	1.8
287.05231	4.4
288.05823	2.2
303.05029	2.1
309.11942	2.4
319.04559	1.7
320.04895	4.5
321.05774	1.7
460.29028	1.5
478.28891	0.8
496.18927	1.1
496.34058	4.8
497.09525	1.1
497.19937	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	0.9
56.96552	1.3
67.05502	2.4
69.03447	1.0
69.07061	1.9
70.06567	0.8
70.63301	1.5
70.63694	1.4
71.04996	0.8
73.02902	0.7
74.74107	0.6
78.51347	0.6
79.05486	1.3
81.07069	6.8
85.02910	2.8
91.05502	0.9
93.07050	1.0
94.06593	0.6
95.04981	1.2
95.08604	1.7
97.02908	1.9
98.97594	1.4
105.07018	1.0
107.04981	0.7
118.06633	0.8
119.08572	0.8
119.51369	0.7
120.04515	1.1
120.08039	0.7
121.10132	0.9
124.07609	2.0
137.13356	0.9
138.05531	3.6
138.09135	0.8
145.04973	1.4
146.05997	2.5
164.03447	1.2
165.09106	1.1
166.05049	3.9
166.62238	0.7
167.08565	1.2
174.05522	1.5
194.09709	1.0
206.08176	1.4
209.10725	1.3
211.08714	2.4
219.09177	2.3
220.07687	0.8
222.07729	1.9
223.08585	3.3
224.09396	1.0
225.10190	1.6
234.07922	0.9
236.09474	1.5
237.10231	31.0
238.10965	1.7
239.08173	4.8
239.11765	3.1
242.10828	0.6
246.11340	3.4
247.08667	2.0
247.11534	2.0
248.07166	0.8
248.09431	1.8
248.11932	1.9
249.10242	1.3
250.08821	4.5
251.08211	6.5
252.09021	2.3
253.09740	3.6
254.10651	0.8
255.11327	1.9
264.08957	1.1
265.09735	37.4
266.07541	0.9
266.10464	3.0
267.07770	2.0
267.11328	8.7
269.09204	1.2
271.14490	0.7
277.09744	1.1
279.07700	2.2
281.09329	5.9
283.10840	2.5
285.10089	1.5
286.10458	1.7
290.11417	1.1
293.09207	31.6
294.09897	2.7
295.10797	10.7
297.08755	0.9
299.10199	6.0
309.12320	0.7
311.10291	34.3
312.10959	2.9
313.11868	3.1
313.39185	0.6
321.08755	16.8
322.08990	0.9
325.11896	1.6
327.13409	1.9
339.09775	64.1
340.10541	3.1
343.12872	0.8
353.11301	13.2
357.10925	1.5
371.12402	100.0
372.13000	4.6
418.17715	1.7
420.19257	0.8
436.18881	5.4
449.68402	0.8
464.18213	31.7
478.19312	1.4
496.15540	0.9
496.21249	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	495.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	14.3
55.01867	12.9
55.05508	40.1
56.96559	7.7
57.03189	4.3
57.03438	29.1
61.02928	33.7
65.03944	6.6
66.53870	3.4
67.05507	75.9
69.03430	30.4
69.07070	28.0
71.01356	5.7
71.04984	13.7
71.60365	5.9
73.02925	21.9
79.05492	80.6
81.03421	50.8
81.07062	100.0
82.07378	3.7
83.04984	28.5
83.08611	24.3
85.02906	52.6
85.06540	6.6
87.04475	6.8
91.03960	23.5
91.05483	68.0
93.07040	71.7
95.04961	27.5
95.08608	57.2
97.02909	31.8
97.06514	17.8
97.10150	6.7
97.16676	4.5
99.04481	9.2
99.08092	5.3
101.02345	4.2
102.71486	4.5
103.03893	4.8
103.05458	4.8
105.07028	64.4
106.03854	3.9
107.04952	9.2
107.08599	50.3
109.02866	5.3
109.06525	14.6
109.10170	28.3
111.04438	5.6
111.08084	10.4
115.05530	5.5
117.07018	25.0
119.08589	50.9
121.06523	9.7
121.10160	37.7
123.08078	5.1
123.11705	13.4
125.09624	6.8
127.03909	12.0
128.06227	6.6
129.05447	5.1
129.07039	19.3
131.04868	6.2
131.08574	45.6
132.92953	4.0
133.06503	6.2
133.10118	38.1
135.08037	6.0
135.11714	23.1
137.09589	8.2
141.07008	6.6
143.08548	15.7
145.10127	31.2
147.08022	8.6
147.11668	39.7
149.09615	12.8
149.13264	10.4
153.12683	4.8
155.08525	6.1
157.10136	21.8
159.08049	5.2
159.11705	18.8
161.09615	10.1
161.13202	8.6
163.11220	12.0
163.14893	6.2
165.09108	4.7
165.12740	14.0
169.10107	8.9
171.11696	9.2
173.09662	5.5
173.13251	11.7
175.11192	7.9
177.12695	5.1
183.08139	5.3
183.11649	8.0
185.09605	5.7
185.13251	10.4
187.11342	4.8
187.14807	4.5
191.10652	4.3
193.12239	22.5
195.11670	5.6
197.13258	5.4
200.04407	4.2
201.12581	4.6
208.08971	4.3
209.11543	6.5
211.13252	23.0
225.77962	3.6
241.19458	8.0
259.20569	11.7
266.28992	3.8
267.08844	6.3
267.15927	28.3
271.20514	9.4
283.15314	4.8
285.10107	17.1
301.21548	8.1
333.24182	33.8
356.14996	6.0
367.22610	14.1
367.26703	4.8
375.25473	9.6
385.23532	11.2
403.24588	7.0
429.26385	6.1
441.26041	23.6
459.27301	15.2
477.28409	39.0
495.29913	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
55.01863	4.1
55.05510	19.3
57.03438	11.2
60.50542	1.2
65.03949	1.6
67.05172	2.1
67.05505	29.4
69.03429	5.3
69.07084	8.6
70.55866	1.2
70.56213	4.4
71.04992	6.2
75.25086	1.3
79.05057	2.4
79.05494	30.8
81.03417	71.8
81.07054	38.2
83.04988	15.4
83.08624	26.2
85.02908	32.2
85.06512	2.9
91.05479	44.2
93.00590	1.4
93.07043	21.8
95.04970	33.1
95.08600	15.4
95.09161	1.7
95.48877	1.2
97.02900	4.2
97.06535	4.9
97.10168	5.5
98.20808	1.4
99.08085	1.6
105.07034	27.3
107.04945	6.0
107.08584	8.2
109.06504	6.0
109.10165	3.2
111.04440	2.8
111.08076	13.4
113.05984	3.0
115.05431	1.8
117.07014	5.0
119.08579	25.4
121.06477	2.4
121.10133	10.8
123.08072	2.4
123.11667	2.8
125.09642	3.3
129.07001	14.1
129.53212	1.2
131.07870	1.2
131.08595	13.0
133.06520	2.7
133.10141	13.0
135.11736	1.5
137.09619	1.9
142.07753	3.5
145.10155	2.5
147.08041	3.0
147.11681	18.8
149.09621	7.9
157.10120	15.4
165.12730	4.1
172.64684	1.2
175.11195	15.0
189.11320	1.5
192.01016	1.4
193.12251	62.2
211.13290	87.7
212.13623	1.4
219.05212	1.4
219.71030	1.6
235.04613	1.3
267.15887	12.2
285.16910	6.4
293.22397	1.2
367.22974	1.4
385.23535	2.8
433.25681	1.4
459.27167	6.2
477.28653	10.2
495.29547	100.0
496.29807	2.7
499.94510	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.4
55.01864	4.0
55.05516	20.3
57.03436	11.8
65.03922	2.2
65.45923	1.2
67.05175	1.7
67.05508	33.2
69.03430	5.8
69.07072	10.1
71.05006	9.3
71.05341	2.0
71.06033	2.0
78.15904	1.2
78.44342	1.2
79.05063	2.5
79.05499	29.7
81.03423	72.5
81.07064	39.2
83.04989	13.1
83.08141	1.9
83.08624	28.1
85.02911	38.6
85.06551	4.0
91.05488	36.0
93.07047	22.3
95.04974	31.8
95.08056	2.0
95.08611	19.9
97.02895	3.5
97.06510	6.8
97.10166	5.7
99.04453	1.5
99.08102	2.1
105.07028	30.4
107.04966	8.1
107.08580	12.8
109.06508	8.1
109.10157	7.3
111.04458	3.4
111.08094	14.4
113.06027	3.0
115.05463	1.5
117.07001	2.7
119.08592	21.6
121.06499	2.4
121.10155	13.5
123.08078	4.2
123.11702	4.0
125.09623	4.8
128.06218	1.9
129.07008	13.7
131.08574	15.6
133.06555	2.7
133.10158	13.1
135.08063	3.3
135.11690	1.6
137.09612	2.9
142.07771	5.1
145.10123	4.2
147.08069	3.2
147.11700	18.2
149.09566	7.4
157.10149	16.0
163.11237	1.8
165.09109	2.9
165.12730	3.5
167.08516	1.7
175.11191	17.9
181.04970	1.3
193.12262	65.2
194.12549	2.1
211.13304	88.2
212.13667	2.2
217.08588	1.3
244.68642	1.4
267.15952	14.7
274.09213	1.4
285.16989	7.5
319.05051	1.3
367.22406	2.6
385.23810	3.1
459.26587	2.7
459.31479	4.0
477.27750	8.9
495.29529	100.0
496.29663	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
54.85280	1.5
55.01870	3.4
55.05517	15.7
57.03436	12.4
67.05508	27.9
69.03432	4.1
69.07066	9.8
69.45177	5.5
69.45601	9.1
71.05002	5.5
79.05490	29.7
80.05859	2.0
81.03421	66.9
81.07058	37.2
82.03746	1.8
83.04977	14.8
83.08616	27.9
85.02910	36.9
91.05479	33.1
91.97657	1.6
93.07041	21.1
95.04980	32.5
95.08601	13.3
96.69257	1.5
97.02903	3.6
97.06539	6.7
97.10169	5.1
99.08135	1.7
105.07030	26.8
107.04984	7.4
107.08571	8.2
109.06541	7.8
109.10171	5.4
111.04437	3.1
111.08089	13.6
113.06033	2.9
115.05434	2.8
117.06987	3.4
118.52896	1.4
119.08575	25.2
119.25422	1.4
121.10136	9.4
123.08070	3.8
123.11690	2.1
125.09667	2.1
129.07019	11.1
131.08586	12.4
133.06488	4.6
133.10135	10.8
137.09570	2.5
139.88937	1.4
142.07724	2.5
145.10114	2.5
147.08035	4.0
147.11716	17.4
149.09656	7.7
157.10138	13.8
163.11212	2.1
165.12787	3.1
169.48158	1.6
175.11198	17.4
193.12251	62.2
193.90440	1.6
194.12523	1.9
211.13295	77.9
240.46266	1.6
267.15903	10.8
285.16946	4.6
297.67471	1.7
367.22916	2.6
385.24014	2.0
403.24521	1.7
459.27200	3.5
477.28519	6.3
495.29483	100.0
496.29932	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	495.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.7
55.05464	1.4
56.96517	12.6
56.96825	0.9
57.03403	0.5
57.07030	0.4
59.37394	0.3
60.04482	0.9
61.61050	0.3
67.05511	2.3
69.03375	1.2
69.07069	1.7
70.06568	0.4
71.04948	0.8
71.20520	0.3
71.59554	0.4
71.95235	0.5
74.97588	0.4
79.05513	1.7
81.03378	0.8
81.07056	3.6
83.04932	0.6
83.08601	0.7
84.95995	0.5
85.02850	1.3
85.06483	0.3
86.39207	0.3
91.05429	1.1
91.05943	0.3
93.07030	2.0
95.04912	1.0
95.08622	2.0
97.02905	1.6
97.06489	0.7
97.10111	1.0
98.97578	1.8
99.04424	0.7
105.07049	1.7
107.04881	1.0
107.08588	1.7
109.02833	0.3
109.06487	1.6
109.10105	1.2
110.97566	0.4
111.08034	0.4
115.00684	0.5
116.98571	1.3
119.08529	1.1
121.06471	0.6
121.10079	1.4
123.01121	0.4
123.08069	0.4
123.11645	0.6
124.07547	0.7
125.09637	0.7
127.03864	0.7
131.08516	0.9
133.01668	0.8
133.10077	1.0
134.99619	0.6
135.08012	0.5
135.11656	0.7
137.02701	0.7
137.05954	0.5
137.09526	0.5
137.13210	0.4
139.00618	0.9
139.03873	0.4
139.11127	0.5
145.01727	0.3
145.10066	0.8
146.06042	0.5
146.99638	0.4
147.11642	1.1
148.07596	0.5
149.09552	1.0
149.13167	0.4
150.09116	0.3
151.07501	0.7
153.02089	0.4
155.03722	0.9
155.08426	0.4
157.01709	1.7
158.16275	0.4
159.03246	0.8
161.13318	0.3
164.36049	0.3
165.02213	0.4
165.09088	1.6
166.04947	0.4
167.03772	1.1
167.07022	0.5
169.01677	0.8
171.03329	2.0
171.11665	0.4
173.04803	0.7
173.13263	0.4
175.02721	0.9
177.02196	0.3
177.04289	0.4
177.12650	0.4
183.03328	0.7
185.04868	4.4
187.02739	0.7
187.14822	0.4
189.04279	1.1
193.05373	0.7
193.12169	0.4
195.06920	0.6
197.04819	0.5
199.06361	0.8
201.04283	0.3
203.05910	8.1
205.12202	0.4
206.08107	0.4
207.06944	0.4
211.06375	1.8
211.08313	0.5
213.07980	1.1
215.05974	0.7
217.07417	0.7
219.07066	0.3
219.13829	0.9
221.06845	1.2
221.08598	0.9
223.06358	1.2
223.08305	0.4
225.07959	0.5
226.07506	0.5
227.06013	0.4
227.08151	0.3
229.07430	1.4
231.06985	1.9
231.09012	0.5
237.07996	1.1
237.10222	4.1
238.11034	0.4
239.09688	0.8
239.11826	1.1
241.07478	1.2
241.11145	0.4
243.08862	0.4
246.11264	2.2
247.11760	3.4
248.09282	0.4
249.07938	4.8
249.10248	0.3
250.08594	0.7
251.05911	0.4
251.08276	0.6
253.09711	0.5
255.09050	1.2
259.15448	0.7
265.09491	5.1
266.10483	0.5
267.09039	51.4
268.09436	1.0
271.14450	0.5
281.09192	1.0
284.11386	0.3
285.10101	100.0
286.04816	0.4
286.10538	1.4
289.11118	4.0
290.10672	4.2
293.09253	3.9
293.17612	0.6
295.10876	1.2
299.10269	0.6
303.11136	6.4
307.12357	0.7
308.11694	12.5
309.12106	0.4
311.10287	4.5
312.11215	0.4
313.11795	0.5
321.08578	1.8
326.12720	0.8
327.13379	0.6
331.12241	1.1
332.27884	0.4
333.28482	0.5
339.09772	6.9
349.13538	0.5
353.11542	1.8
361.13538	0.4
367.22662	0.3
371.07709	0.6
371.12402	12.4
409.15405	0.6
436.18652	0.8
441.26181	0.4
451.16791	0.9
459.27548	0.6
460.23376	0.4
464.18378	3.7
477.21695	2.5
477.27777	0.7
495.16306	2.9
495.22821	7.4
495.28409	0.4
495.34210	0.7
496.23007	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1838
Annotation	15-O-propionylbruceolide
Peak:m/z	Relative Intensity
50.01003	0.4
55.05499	0.5
56.96567	0.4
57.06192	0.4
67.05485	2.1
69.03420	0.9
69.07062	0.6
70.06590	0.6
71.04988	0.7
71.29987	0.9
71.30334	0.5
79.05477	1.2
81.03410	0.5
81.07050	2.8
83.04961	0.6
85.02890	1.1
85.06545	1.0
91.05477	1.3
93.07056	1.6
95.04960	0.8
95.08611	2.5
97.02893	0.7
97.06509	0.5
105.07048	1.7
107.01071	0.7
107.08601	1.3
108.86318	0.5
109.06564	0.6
109.10145	2.5
111.08041	0.9
117.06966	0.7
119.08590	0.7
121.10138	1.0
123.11684	0.8
125.09636	0.5
131.08636	0.8
133.06488	0.6
133.10181	0.9
135.11691	0.7
137.06007	1.2
137.09633	0.5
141.69933	0.5
147.11697	0.6
151.07549	1.1
159.08150	0.5
161.09578	0.5
161.13171	0.6
163.07571	0.5
165.09146	0.6
184.37990	0.4
185.18037	0.4
187.11009	1.1
187.14832	0.5
188.92824	0.5
189.08994	0.5
229.11971	0.9
245.11218	0.4
247.13055	7.7
265.12906	0.8
275.12640	4.5
279.23209	1.1
289.13202	1.1
297.24286	1.0
303.12308	0.5
307.14005	0.7
331.14136	0.5
391.17215	2.8
409.18326	14.7
441.30005	0.6
451.19391	40.4
465.11646	0.9
477.11655	1.2
495.18384	100.0
496.18576	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	495.1299
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.06664	0.3
53.03927	0.4
54.54481	0.3
55.05512	3.1
56.05820	0.3
56.96545	0.6
57.03411	1.5
57.07069	0.4
59.04967	0.4
61.02910	0.5
67.05506	5.6
68.05832	0.4
69.03407	0.9
69.07067	2.4
70.09207	1.4
71.04964	1.2
79.05492	4.6
80.05812	0.6
81.02993	0.4
81.03416	5.9
81.07053	6.0
82.03732	1.2
82.07352	0.9
82.22430	0.3
83.01322	0.4
83.04977	1.9
83.05386	0.4
83.08615	2.5
84.08929	0.5
85.02919	2.6
91.05480	5.7
92.05769	0.6
93.07047	5.3
93.57232	0.3
94.07346	1.0
95.04444	0.4
95.04967	4.3
95.08604	3.2
96.05283	0.7
96.83626	0.3
97.02872	0.5
97.03492	0.4
97.06498	1.2
97.10119	0.8
99.04448	0.4
103.05478	3.0
105.06388	0.4
105.07022	3.5
106.04124	0.4
106.07341	0.8
107.04960	1.7
107.08604	2.4
108.08920	0.8
109.06519	0.8
109.10148	2.6
111.04395	0.8
111.08060	1.0
115.05421	0.5
117.07008	1.7
118.04129	1.3
118.07285	0.5
119.04881	0.5
119.07921	0.3
119.08590	3.0
120.08884	0.7
121.06506	1.9
121.10102	1.6
122.10468	0.5
123.04406	0.9
123.08038	1.1
123.11739	0.4
124.08411	0.4
125.02322	0.4
125.09597	0.5
127.03838	0.3
129.06992	1.1
130.04111	1.3
131.04942	3.2
131.08511	1.4
132.05736	1.9
132.08899	0.6
133.06496	0.8
133.10095	1.2
134.10448	0.4
135.04407	0.8
135.08112	0.4
135.11613	1.1
136.12004	0.5
137.05989	0.7
137.09579	0.6
140.04686	2.5
145.06476	0.4
145.10100	1.5
146.03622	2.1
146.10468	0.5
147.04359	0.6
147.07956	0.7
147.11658	1.2
148.05103	0.5
149.05946	1.0
149.09566	0.8
149.13237	0.6
153.01804	3.7
153.05444	0.9
157.10086	0.6
158.10419	0.5
160.05185	1.0
161.05934	1.1
162.03107	0.5
163.03821	0.8
163.11220	1.7
164.11526	0.9
165.05421	0.5
166.06189	0.4
167.07039	1.9
173.05974	0.5
175.11140	1.1
176.04753	1.9
177.05438	2.4
178.06245	2.5
181.12206	0.6
191.07031	4.1
191.10657	0.5
192.07790	1.3
192.90785	0.4
193.05101	0.3
193.12233	2.6
194.12560	1.4
203.03328	3.5
209.11777	0.9
211.13248	3.7
212.13634	1.7
213.13943	0.6
227.12801	0.9
228.13210	0.7
229.04993	4.4
241.04884	0.7
242.05722	8.3
253.04942	1.7
257.04443	43.3
258.05222	13.5
267.09082	0.9
267.15875	0.7
268.16138	0.4
269.04413	1.8
270.05075	1.3
271.06052	1.9
283.15320	0.5
285.03943	6.2
285.10074	1.3
285.16870	0.6
286.04715	23.0
287.05499	15.8
295.06012	0.7
297.03952	3.5
299.05569	1.7
300.06177	0.7
301.07156	0.4
327.04852	2.3
341.06543	2.3
385.23343	0.5
387.09607	0.4
388.09058	0.3
403.24112	0.7
419.07666	0.8
444.08133	0.6
445.09262	0.7
447.07175	1.2
459.26563	0.5
461.08835	0.5
462.09351	0.7
465.11993	2.8
477.11841	10.3
477.27826	1.5
494.28268	3.8
495.12866	100.0
496.13251	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	494.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00035	0.3
53.03936	1.0
55.05516	2.5
56.05038	2.1
56.96563	0.4
57.03425	2.0
57.80146	0.4
60.04533	2.8
60.60750	0.4
61.02923	2.3
67.05169	0.7
67.05504	7.3
68.05030	1.1
69.03427	5.1
69.07074	2.2
69.46336	1.0
69.46730	3.4
70.06586	3.0
71.04991	4.0
72.04507	0.5
72.08160	0.5
73.02932	1.7
79.05485	3.4
80.05022	0.7
81.01012	0.4
81.03426	1.9
81.07053	7.1
82.06577	1.3
83.04984	0.5
83.08622	0.7
84.08144	1.3
85.02902	15.7
85.06538	0.6
86.06081	2.2
86.09727	0.7
87.04475	1.5
91.03954	0.9
91.05483	2.0
93.07042	4.0
94.06564	1.6
95.04984	0.7
95.08602	6.6
96.08119	1.9
97.02890	4.5
98.97610	1.2
99.04472	1.0
99.08106	0.5
101.02371	0.5
105.07030	1.7
107.08576	1.8
109.02872	1.5
109.10176	2.4
110.09695	0.7
111.04440	0.6
112.07619	0.6
114.09167	2.0
119.08601	1.2
120.08070	1.0
121.10165	1.7
122.09697	0.6
123.11743	1.0
124.11201	1.0
126.09077	0.4
127.03931	2.6
129.05464	2.6
130.08638	1.0
131.08585	0.6
133.10147	1.0
135.11691	1.0
137.02342	1.1
138.09167	0.4
138.12775	0.6
145.04980	1.2
147.06543	1.1
147.11760	0.5
151.11188	0.8
169.04984	0.9
169.09938	0.4
169.12320	0.7
188.54454	0.4
234.22159	5.2
237.02869	0.6
252.23167	6.9
260.23737	1.8
262.75452	0.5
266.24774	0.6
270.24222	1.1
276.23093	0.4
278.24789	17.9
294.24646	0.5
295.25009	0.5
296.25842	26.9
307.10712	1.8
309.11685	0.4
312.25406	0.7
314.26883	29.4
330.26459	1.8
331.26678	2.0
332.27930	39.8
333.28162	0.7
374.28467	0.5
398.74680	0.4
465.54483	0.5
476.32025	1.1
494.33173	100.0
495.17685	1.2
495.33658	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
55.05503	1.4
56.05050	2.6
57.03437	2.5
59.04999	0.3
60.04529	2.7
61.02928	1.7
67.05509	4.1
69.03429	5.9
69.07062	1.6
70.06599	2.1
70.66735	0.8
70.67075	0.4
71.01340	0.4
71.04978	1.5
72.04504	0.5
73.02898	1.1
79.05499	2.8
81.03427	2.7
81.07066	6.2
82.06586	0.8
83.08619	1.6
84.08147	0.8
85.02908	14.5
85.06554	0.5
86.06087	1.8
87.04464	1.4
88.00654	0.3
90.35566	0.3
91.03960	0.4
91.05476	1.5
93.07053	2.4
95.05000	0.4
95.08612	5.3
96.08133	2.4
97.02892	4.7
97.06567	0.6
97.10184	0.5
99.04459	1.3
101.02385	0.6
103.03963	0.5
105.07024	0.9
107.08609	1.9
109.02891	1.9
109.10141	2.0
110.09662	0.5
111.08153	0.5
114.09170	1.1
119.08569	0.6
121.10158	1.3
123.11752	0.5
124.11224	0.4
127.03923	2.8
127.20331	0.4
131.08589	0.4
133.10152	0.5
135.11694	0.6
137.05951	0.7
145.04900	0.6
149.13335	0.4
153.68913	0.4
166.67157	0.3
199.01190	0.3
234.22200	1.5
234.97610	0.4
252.23239	9.3
252.25752	0.5
260.23721	0.6
266.24750	1.2
270.24268	6.5
278.24789	8.6
296.25858	16.2
302.80865	0.4
314.26895	25.5
315.27438	0.5
332.27954	45.0
333.28491	0.7
356.28110	0.7
374.29135	0.8
476.32260	3.0
494.33270	100.0
495.33569	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	494.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.9
55.01861	0.8
55.05505	2.0
56.05033	2.9
57.03427	2.1
60.04515	2.1
61.02913	2.4
67.05222	0.5
67.05511	5.3
68.05021	0.8
69.03436	7.4
69.07082	3.0
69.74156	3.1
70.06586	3.0
70.77845	0.5
71.04993	0.9
72.08148	1.3
73.02917	1.6
75.38220	0.6
79.05494	3.2
81.03416	3.0
81.07062	6.5
82.06585	1.2
83.08643	0.9
84.08140	0.9
85.02908	16.5
86.06075	1.6
86.09712	1.8
87.04464	2.2
91.03989	0.6
91.05486	1.5
93.07076	3.0
95.08603	4.0
96.08139	2.0
97.02895	4.5
98.21468	0.8
99.04456	1.4
103.03939	0.7
105.07004	1.1
107.08570	1.8
109.02865	2.1
109.10159	1.8
110.07137	0.6
110.09670	0.8
114.09167	1.2
119.08515	0.9
120.08115	1.0
121.10133	0.6
121.98765	0.5
123.11720	1.0
127.03910	3.2
133.10129	1.4
145.10056	0.5
146.11774	1.2
187.94164	0.6
222.54347	0.6
234.22151	0.9
234.50771	0.6
250.25415	0.8
252.23204	7.3
266.24820	1.1
270.24338	7.2
271.06058	1.6
278.24820	6.4
296.25854	14.5
314.26901	27.5
315.26990	0.6
332.27957	45.2
374.28760	0.6
476.32434	4.0
491.88358	0.6
494.33209	100.0
495.33627	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	494.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77687	2.0
53.03945	4.0
55.01860	4.7
55.05515	12.1
56.05829	2.4
57.03447	11.9
57.07072	3.6
60.04525	13.3
61.02913	2.9
67.05508	18.0
68.05838	4.1
69.03423	6.5
69.07072	20.6
71.04993	76.8
73.02914	2.5
75.04485	3.6
79.05508	18.9
80.05843	5.2
81.03426	13.6
81.07063	26.5
82.03731	2.9
82.07399	3.1
83.04978	22.4
83.08623	9.4
83.21641	2.3
85.02911	100.0
85.06551	2.9
87.04465	2.9
91.05486	18.4
92.05839	3.0
92.15633	2.5
93.07050	18.1
93.53015	2.2
94.07358	2.7
95.04977	16.4
95.08613	15.8
96.05319	2.8
96.08951	4.3
97.02898	6.5
97.06532	18.4
97.10178	4.0
98.06896	2.8
105.07062	10.4
107.04967	6.5
107.08615	9.0
108.08920	3.3
109.06498	5.2
109.10155	13.1
111.04462	7.4
111.08096	2.9
117.07001	3.5
119.04929	2.2
119.08605	8.0
121.06550	2.6
121.10162	9.1
122.10474	2.9
123.04466	3.3
123.08086	4.4
123.11726	15.4
125.09576	3.5
127.03954	5.4
129.04611	4.0
129.05496	45.4
129.07005	4.8
131.08597	6.5
132.08913	3.8
133.10121	5.3
135.04375	2.8
135.08011	3.5
135.11734	4.7
137.09653	2.5
139.11168	2.5
145.05006	3.4
145.06450	2.4
145.10135	6.0
146.10413	2.5
147.06537	19.1
147.11673	4.4
148.11993	2.9
149.09621	3.5
151.07564	4.0
151.11195	19.3
157.10144	4.1
159.07988	3.1
159.11713	3.0
163.11182	5.7
165.09045	2.6
175.11247	2.6
191.10565	4.5
193.12161	4.9
194.12547	4.5
201.09074	2.0
201.12859	2.9
209.11833	4.0
210.12152	2.3
211.13249	3.3
212.13503	2.7
219.13664	2.8
228.13358	2.7
267.16205	2.9
268.16437	3.1
297.16974	14.7
314.26971	10.9
319.34845	2.4
359.09387	2.6
374.16812	10.0
384.22522	4.1
420.25153	2.3
447.07089	5.8
465.12006	8.5
476.26550	12.7
477.11646	14.9
477.28586	2.7
494.18948	4.9
494.28030	29.2
495.12723	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	494.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76988	0.8
53.03947	2.1
55.01859	1.6
55.05499	2.4
56.05036	1.7
57.03428	2.7
57.07050	1.1
59.92826	1.0
60.04526	2.2
60.42340	0.9
61.02931	2.9
67.05495	7.9
69.03432	11.1
69.07063	4.0
70.06589	3.6
71.05000	2.2
71.34560	1.7
71.34897	1.3
73.02921	2.9
79.05499	3.8
81.03417	7.2
81.07072	6.8
82.06612	1.3
83.08617	1.6
83.88042	0.9
84.04526	0.9
84.08135	1.1
85.02907	22.8
86.06079	1.4
86.09699	2.3
87.00837	5.0
87.04475	2.0
91.03930	1.2
91.05492	3.1
93.07059	5.4
95.08601	12.7
96.08130	2.6
97.02888	7.6
97.06564	1.1
99.04455	3.2
100.60894	0.9
105.01864	6.3
105.07026	4.6
107.08591	6.1
109.02882	4.4
109.06554	1.7
109.10141	6.1
110.09682	1.0
112.07652	1.0
114.09161	1.2
119.08588	7.0
120.08093	1.8
121.06532	0.9
121.10139	10.2
123.08025	1.7
123.11736	4.6
127.03925	10.1
133.10115	7.3
135.11656	4.8
137.02332	1.7
137.05989	1.3
137.09610	2.7
145.04971	3.9
147.11717	1.6
149.13297	4.0
151.11267	1.4
165.16446	1.0
173.13290	0.9
175.14809	15.2
177.16458	1.6
181.01295	1.4
193.15887	16.2
211.16936	1.5
213.04012	1.1
231.05074	3.3
234.22218	4.0
236.20108	1.0
249.06134	1.0
252.23274	4.2
258.05368	2.4
260.23749	1.9
266.24658	1.3
270.24359	1.0
278.24820	15.7
284.11789	1.1
286.04779	7.9
287.05533	4.2
296.22528	1.5
296.25839	21.7
314.23184	1.7
314.26865	26.7
314.30270	1.7
319.04541	10.4
320.12192	0.9
332.24338	2.8
332.27927	38.4
333.12289	1.1
462.08392	1.2
476.31909	2.1
494.33322	100.0
495.33798	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	494.1661
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
55.01859	0.4
55.05500	0.3
56.96554	0.2
57.03416	0.5
60.04520	1.1
61.02910	0.5
62.06081	0.2
67.05507	0.9
68.99797	0.2
69.03082	0.1
69.03430	2.6
69.07057	0.6
70.06577	0.2
70.79819	0.4
71.04987	0.5
73.02904	0.5
79.05473	0.4
81.03419	2.1
81.07048	0.8
83.04982	0.3
83.08594	0.3
85.02422	0.2
85.02908	3.3
86.09678	0.2
87.00850	0.7
89.87948	0.1
91.05466	0.6
93.07031	0.7
94.07405	0.2
95.04968	0.4
95.08597	0.6
95.64700	0.1
97.02904	1.3
97.06517	0.6
98.06883	0.1
98.97611	0.2
99.04442	0.5
101.01604	0.1
105.01855	0.5
105.07007	0.7
107.04970	0.2
107.08598	0.4
108.08176	0.3
109.02888	1.2
109.06487	0.2
109.10141	0.6
110.10528	0.2
117.07013	0.2
119.08585	0.4
120.08070	0.3
121.10126	0.4
123.04441	0.7
123.08062	0.1
123.11729	0.3
123.56982	0.1
124.07587	0.4
127.03924	1.9
129.06989	0.2
131.08542	0.3
133.10133	0.4
134.99701	0.2
136.07570	0.4
137.09671	0.1
138.09148	0.4
143.08578	0.2
145.04955	0.5
145.06467	0.2
145.10109	0.4
147.11699	0.2
149.09633	0.2
150.09093	0.3
155.08528	0.4
158.07256	0.2
158.99582	0.2
159.02882	0.6
161.05962	0.1
162.09096	0.2
163.11288	0.2
165.09113	0.3
172.07611	0.2
172.11188	0.4
173.09645	0.3
174.09218	0.2
175.14905	0.2
177.00731	0.3
182.09726	0.2
183.08020	0.2
185.08255	0.3
188.06947	0.2
189.07841	1.1
189.09258	0.1
190.08653	0.3
190.12305	0.3
193.15868	0.2
198.05403	0.1
199.06401	0.3
200.07066	0.6
200.10706	1.6
201.09167	0.3
203.09412	0.2
211.16943	0.2
212.07047	0.2
213.07797	0.5
216.06665	0.2
217.07358	0.4
218.08141	1.4
218.11664	0.3
224.74695	0.1
228.10251	1.0
229.08562	0.3
230.08232	0.3
231.05099	0.2
231.08910	1.1
244.09775	0.3
245.10481	0.5
246.11264	100.0
247.11644	1.5
256.09344	0.2
273.15369	0.2
282.16095	0.7
288.12347	0.4
314.27011	0.4
332.27982	1.4
374.16479	0.2
408.16479	1.5
434.18039	0.2
476.27005	0.2
494.16501	1.8
494.33813	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	493.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.7
54.87952	0.6
55.01870	7.8
55.05509	21.0
57.03439	9.6
57.07080	1.0
59.04993	1.6
65.03931	1.3
67.05505	21.3
69.03424	2.8
69.07072	3.9
70.53561	0.6
71.01363	1.1
71.04990	5.7
79.05492	28.2
81.03419	38.2
81.07056	28.6
83.01348	5.1
83.04984	13.8
83.08617	18.6
85.02905	21.3
85.06534	1.7
90.10297	0.5
91.05476	24.8
92.80536	0.6
93.07044	26.0
95.04969	19.5
95.08609	10.0
97.02878	3.2
97.06536	5.1
97.10184	3.1
97.10724	0.7
99.04456	2.2
99.08088	0.6
103.05456	1.2
105.07033	20.2
107.04955	8.9
107.08586	11.3
109.06516	6.5
109.10152	2.2
111.04434	3.2
111.08080	8.1
113.06010	1.8
115.05453	1.2
117.07005	6.5
117.15247	0.6
119.08581	14.8
121.06524	2.9
121.10133	8.3
123.04469	0.7
123.08066	7.5
123.11690	0.9
125.06005	1.7
125.09662	2.1
128.06216	0.8
129.07007	6.4
131.04968	0.7
131.08566	6.9
133.06514	1.6
133.10121	4.9
135.08029	1.3
135.11685	8.6
137.09604	2.0
142.07802	1.5
143.08607	0.7
145.06488	1.0
145.10124	9.7
147.08075	2.5
147.11685	6.3
149.09616	2.9
153.09273	0.6
153.12726	3.3
155.08563	1.0
157.10118	6.2
163.11179	18.0
165.12781	1.8
167.29784	0.6
173.09694	2.6
175.11171	7.5
181.12198	3.3
191.10664	2.4
193.12248	35.3
209.11728	4.4
211.13289	45.6
227.12781	4.2
249.14865	0.8
267.15988	3.4
282.51740	0.7
283.15387	2.1
285.16882	0.7
365.21127	0.8
383.22324	1.9
392.07571	0.8
401.23077	1.6
457.26273	1.1
462.69437	0.7
475.26877	4.3
493.27960	100.0
494.28040	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	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.38696	1.8
53.03921	4.0
55.01856	9.4
55.05265	2.3
55.05510	32.9
55.55761	1.9
57.03418	9.5
57.07060	1.9
58.98692	2.5
60.61668	1.8
65.03926	2.9
67.05167	3.2
67.05503	44.1
69.03410	7.6
69.07072	12.7
71.01353	3.3
71.04971	6.4
71.21037	3.4
71.21375	3.6
73.02910	2.0
79.05067	2.9
79.05492	43.9
81.03415	57.0
81.07056	44.1
83.01331	3.8
83.04971	19.9
83.08615	23.8
85.02905	16.9
85.06540	2.5
91.05475	40.6
93.07043	41.6
95.04971	30.7
95.08609	19.7
95.83643	1.9
97.02886	4.5
97.06553	11.1
97.10166	11.7
99.04422	4.1
105.07043	27.7
107.04963	14.9
107.08598	24.0
109.02840	2.1
109.06527	10.4
109.10140	11.8
111.04430	8.3
111.08080	10.3
112.67937	2.1
113.06019	3.1
117.07055	10.6
119.04965	2.8
119.08578	22.1
121.06488	10.0
121.10149	15.5
123.04433	2.0
123.08081	6.3
123.11717	2.6
125.05974	3.3
125.09610	11.1
129.07019	10.1
130.07788	2.2
131.08551	13.6
133.06482	3.6
133.10123	11.6
135.08040	4.4
135.11696	15.3
137.09558	3.1
143.08572	5.0
145.06468	2.9
145.10132	15.4
147.08070	4.9
147.11661	10.2
149.09579	5.2
149.13219	2.6
149.72464	2.1
151.11189	2.5
153.09065	2.6
153.12708	6.1
155.08473	2.5
157.10126	8.4
159.11765	2.1
161.05994	3.0
161.09619	4.5
163.11172	23.6
165.09129	2.3
165.12746	3.4
173.09604	6.8
175.11197	9.2
177.12848	2.7
181.12236	6.9
189.09164	2.4
189.11189	5.6
191.10664	5.8
193.12238	39.6
205.12340	2.3
209.11726	12.3
211.13292	35.4
215.10416	2.8
227.12796	17.1
231.13530	2.4
253.14702	2.1
267.15945	12.2
283.15366	8.8
285.10245	2.1
365.20911	5.9
383.22144	19.4
401.23245	15.3
419.23996	2.5
457.26022	5.5
475.26776	30.9
476.27304	2.9
493.27841	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	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03932	3.0
55.01881	6.6
55.05263	2.0
55.05513	26.2
57.03435	8.5
57.07073	1.8
59.04981	1.2
65.03921	1.7
67.05505	26.7
68.42920	1.1
69.03422	4.4
69.07071	8.0
69.54086	6.4
69.54511	3.6
71.01331	1.7
71.04982	4.2
79.05495	33.6
81.03419	46.0
81.07059	30.6
83.01350	3.1
83.04978	13.9
83.08620	20.6
85.02915	18.8
85.06548	2.8
91.05482	29.9
93.07047	32.0
95.04971	26.0
95.08600	12.7
97.02915	2.8
97.06528	14.7
97.10167	6.0
97.61996	1.2
99.04440	2.2
105.07031	21.8
107.04973	11.4
107.08602	20.2
109.06528	6.3
109.10164	6.8
111.04450	7.4
111.08100	8.5
113.06006	1.8
117.07018	6.5
119.08581	18.7
121.06509	5.3
121.10154	11.7
123.04410	2.1
123.08056	6.4
123.11679	2.9
125.06000	2.3
125.09641	3.9
129.06978	8.5
131.08588	9.8
133.06458	1.8
133.10135	8.4
135.08057	3.5
135.11705	10.7
137.09654	3.5
142.07806	1.8
143.08527	3.1
145.10110	14.5
147.08026	4.4
147.11688	9.9
149.09621	5.3
151.11189	1.7
153.12759	3.8
155.08565	1.8
157.10152	8.2
163.11217	20.5
165.12814	2.2
173.09619	2.6
175.11168	10.4
181.12209	4.3
189.11296	1.4
191.10670	5.7
193.12256	36.2
193.14087	1.7
209.11722	11.1
211.11305	2.9
211.13289	43.7
211.15277	2.7
219.13747	1.6
227.12769	7.3
249.14948	1.6
267.15927	6.1
283.15521	6.7
373.16528	4.7
383.22153	4.8
401.23346	3.8
407.17169	2.4
419.24457	1.7
447.27228	1.5
457.25769	2.4
475.26642	12.0
493.27936	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	493.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.3
55.01868	8.9
55.05509	21.7
57.03438	10.9
57.07074	1.3
59.04994	2.7
65.03943	2.6
67.05505	33.3
69.03429	3.5
69.07071	12.0
70.58752	2.5
71.05013	5.7
79.05495	33.5
81.03417	52.8
81.07059	36.5
83.01347	4.1
83.04984	21.0
83.08622	23.9
85.02911	18.4
85.06528	3.3
91.04905	1.1
91.05481	32.9
93.07048	35.6
95.04974	26.9
95.08611	18.0
97.02886	4.4
97.06526	18.1
97.10166	6.7
98.06877	1.6
99.04482	2.1
103.05430	1.6
105.07034	21.5
107.04954	13.1
107.08594	20.2
109.06535	7.3
109.10161	7.8
111.04436	7.4
111.08070	8.5
113.05994	2.1
115.05444	3.2
117.07033	9.0
119.08589	19.3
121.02850	2.7
121.06458	5.3
121.10145	14.4
123.04444	2.7
123.08064	6.6
123.11709	3.3
125.09684	5.3
128.06206	1.9
129.07021	9.2
130.07851	1.7
131.04936	1.7
131.08577	11.6
133.06512	2.8
133.10138	10.2
135.04497	1.3
135.08087	4.1
135.11691	14.0
137.09644	3.7
141.07033	1.5
142.07780	3.4
143.08566	3.4
145.06439	1.9
145.10124	17.0
147.08047	4.8
147.11693	9.0
149.05989	1.7
149.09631	5.1
151.11165	1.5
153.12752	5.8
154.75342	1.1
155.08542	2.0
157.06535	1.7
157.10123	8.5
159.08076	1.4
159.11653	2.0
161.05988	3.2
163.03909	1.4
163.11176	21.4
164.11583	1.0
165.12779	3.3
167.08568	1.5
173.09662	4.5
175.07579	2.4
175.11153	8.4
181.12248	4.9
186.78641	1.1
187.07587	1.4
189.09167	2.5
189.11246	3.5
191.10725	6.8
193.10431	1.8
193.12242	35.6
199.07588	1.6
200.08244	1.4
201.09074	2.8
203.10670	1.3
203.14354	1.7
209.11720	12.6
211.13271	38.8
213.09271	2.1
215.07129	2.0
216.19324	1.3
217.08585	1.2
225.12830	1.1
227.10727	1.0
227.12772	19.3
229.08589	2.0
229.14345	1.8
247.13356	4.4
249.14951	3.8
259.09653	1.3
261.15082	1.5
265.14514	1.7
267.15891	18.1
283.15430	12.5
312.12906	1.2
312.85043	1.1
321.17432	1.3
321.62265	1.2
327.16028	1.7
355.15616	1.6
355.22720	1.3
373.16492	14.3
374.17136	1.5
383.21994	6.6
389.16055	1.7
389.49411	1.2
393.91977	1.1
401.23395	4.2
407.17050	4.9
419.24371	1.9
431.16855	1.6
457.26126	2.7
475.26859	21.5
493.16617	2.8
493.27957	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	493.2797
Annotation	Mucronine B
Peak:m/z	Relative Intensity
53.03943	5.8
55.01871	12.1
55.05510	29.1
55.05781	2.1
57.03188	1.5
57.03433	11.2
57.07071	2.1
65.03930	3.1
67.05167	2.6
67.05505	35.2
69.03423	6.3
69.07064	12.4
70.41862	4.4
71.01341	1.9
71.04988	5.9
76.53436	1.5
78.50600	1.7
79.05489	40.4
81.03413	47.3
81.07057	38.8
83.01337	1.7
83.04978	17.8
83.08624	20.9
84.08154	3.9
85.02902	14.4
85.06548	2.2
86.09720	5.9
88.38396	1.6
91.05480	35.7
93.07042	32.8
95.04962	31.0
95.08598	20.6
97.02907	5.3
97.06541	13.3
97.10175	13.3
99.04453	2.2
103.05447	1.5
105.07028	21.7
107.04946	13.5
107.08584	24.4
109.06500	6.6
109.10139	10.0
111.04431	11.7
111.08076	9.6
115.05499	1.7
117.07013	7.5
119.08573	20.3
121.06509	6.4
121.10142	14.1
123.04419	1.7
123.08102	7.8
123.11708	3.5
125.06009	2.7
125.09631	10.7
129.06996	10.2
131.08549	15.9
133.06499	5.5
133.10118	8.9
135.08058	4.3
135.11674	16.1
137.09631	3.3
142.07785	2.4
143.08537	2.8
145.06522	3.9
145.10106	19.3
147.08069	7.7
147.11691	10.9
149.09622	5.7
153.12735	6.8
155.08577	1.9
157.10161	8.9
159.11679	3.2
161.05948	3.7
163.11188	26.8
165.12787	2.6
171.11667	2.0
173.09648	5.5
175.11224	8.7
181.09979	1.8
181.12199	8.8
186.80908	1.7
189.09093	3.1
189.11311	4.8
191.10638	8.3
193.12231	32.4
193.13867	2.5
194.63934	1.7
201.09041	2.3
205.12238	2.3
209.11723	8.7
211.13272	29.5
215.07047	1.9
227.10748	2.9
227.12764	22.3
231.13914	2.0
247.13391	2.0
249.14799	3.5
265.14481	2.6
267.15942	14.1
273.14917	2.1
283.15475	12.3
289.14288	2.4
311.12842	1.8
355.15677	2.1
355.22543	3.6
365.21124	3.8
373.16306	4.5
383.22183	26.6
401.23132	16.7
403.33691	1.5
419.24088	2.2
447.27603	2.6
457.25775	10.1
475.26816	30.3
493.27887	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	491.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.3
55.01874	10.1
55.05267	2.1
55.05513	30.9
57.03426	6.2
57.07116	1.6
59.04979	3.9
65.03935	2.6
67.05504	40.8
69.03418	5.1
69.06789	1.4
69.07072	16.0
70.79581	3.3
71.05000	13.3
76.20316	1.4
79.05074	3.2
79.05495	48.8
81.03419	12.0
81.06575	2.8
81.07053	49.1
83.01330	2.9
83.04996	11.9
83.08622	15.8
85.02887	4.0
85.06545	3.3
88.85321	1.3
91.05476	30.3
93.07042	49.9
95.04971	25.0
95.08611	23.2
97.02883	2.3
97.06523	25.5
97.10168	19.8
99.04426	2.2
99.08076	1.8
103.05434	4.1
105.07028	24.4
107.04951	38.7
107.08601	24.1
109.02841	2.0
109.06513	21.3
109.10128	11.0
111.04420	4.4
111.08053	4.8
113.09571	1.7
115.05457	2.0
116.06217	1.5
117.07010	12.5
119.08574	15.3
121.06504	30.8
121.10145	25.1
123.04436	3.2
123.08068	7.3
123.11687	3.6
125.05936	1.9
125.09617	16.5
128.06219	3.0
129.06990	7.8
130.07753	1.8
131.04916	4.8
131.08553	19.0
133.06465	4.7
133.10139	8.8
135.08057	10.9
135.08937	1.8
135.11700	14.2
137.09639	4.6
137.13184	1.6
139.11118	2.3
141.06999	4.8
143.08594	7.1
145.06497	10.5
145.10126	16.4
147.04312	1.6
147.08041	7.0
147.11676	5.6
149.09612	10.1
151.03900	1.5
153.09113	3.7
153.12720	2.4
155.08534	4.0
157.06418	1.9
157.10098	5.0
159.07993	6.4
159.11685	3.5
161.05939	4.5
161.09572	3.7
163.11176	20.5
165.09099	8.4
167.08542	1.8
167.10678	6.4
169.06491	2.0
169.10165	2.6
171.07994	4.4
171.11642	2.9
173.09616	6.3
173.13293	9.1
175.07565	2.7
175.11169	4.1
181.10074	1.6
181.12256	4.8
183.11774	2.0
185.09596	2.0
185.13280	2.9
187.11191	2.7
189.09198	2.6
189.11220	10.5
189.12753	2.4
191.10585	2.5
191.14287	7.3
193.12236	5.9
195.07991	1.4
195.11734	3.3
197.09566	1.6
197.13196	2.5
199.13315	6.0
201.12746	2.3
203.10646	1.6
205.12242	2.6
209.11748	6.4
213.09013	2.6
219.13829	15.7
223.11212	1.8
223.13249	1.9
227.12723	16.6
231.13759	2.5
233.15367	3.7
247.17010	1.8
249.14883	4.5
255.13718	2.6
265.14441	1.6
267.16003	1.9
271.17017	2.4
273.14853	7.1
275.16342	6.4
287.16241	1.8
298.42508	1.7
311.12695	4.4
327.15536	2.2
339.23221	2.7
349.21735	7.4
355.15363	6.6
357.24203	3.7
367.22662	21.7
381.20419	1.6
385.23688	34.3
403.24966	8.3
405.24142	2.0
417.26318	2.5
428.63544	1.5
441.26331	7.3
445.25858	1.5
459.27390	100.0
460.27341	3.4
470.50946	1.4
473.24982	2.7
473.28879	1.7
491.29810	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3003
Annotation	Hemibrevetoxin B
Peak:m/z	Relative Intensity
53.03943	9.3
55.01883	7.0
55.05510	51.9
57.03433	15.9
57.07070	4.0
65.03947	3.3
67.05504	77.9
69.03441	4.9
69.07069	16.2
71.05001	7.2
71.59776	3.2
71.60176	5.0
79.05490	82.7
81.03416	76.6
81.06585	4.3
81.07059	72.4
83.04981	25.4
83.08627	32.5
85.02900	12.3
85.06548	4.5
91.05485	98.2
93.07047	76.5
93.07627	5.4
94.92138	3.1
95.04967	49.4
95.08611	32.4
97.02834	6.2
97.06534	12.9
97.10155	21.6
99.08102	3.1
103.05476	3.6
105.07032	55.6
107.04945	15.9
107.08579	30.2
109.06529	9.5
109.10163	17.1
111.04389	3.5
111.08090	8.2
115.05504	5.3
117.07013	29.8
119.04929	4.8
119.08587	40.8
121.06497	9.9
121.10152	16.5
123.08094	8.4
123.11690	17.1
125.09634	16.8
128.06229	3.8
129.06992	30.3
131.08563	18.9
133.06502	6.0
133.10144	23.9
135.08076	5.2
135.11682	11.6
143.08478	16.3
145.06496	4.3
145.10103	18.5
147.08047	6.7
147.11676	38.3
149.09602	4.1
151.11217	5.0
155.08606	6.3
157.10124	8.2
159.11699	3.4
161.09648	10.7
161.13319	7.5
163.11209	11.5
171.08012	4.4
171.11655	25.5
175.11244	9.3
180.83733	2.7
181.10173	3.8
185.13290	4.1
187.13290	8.6
188.72845	2.7
189.11272	6.4
189.12785	12.1
193.12256	27.9
196.25938	3.0
207.13721	19.8
209.11714	6.1
211.13260	17.0
211.45805	3.5
219.13776	6.5
227.12701	17.6
231.13782	4.6
243.15887	8.1
249.14839	15.5
267.15924	35.2
281.17395	30.5
305.17493	9.1
381.24445	6.9
389.23068	3.2
399.25336	14.1
403.57327	3.3
421.26834	3.2
454.57114	2.9
455.28040	9.6
459.27338	5.0
473.29099	100.0
491.29666	44.4
517.89587	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	491.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	13.1
54.20760	8.2
55.01842	9.0
55.05513	49.3
57.03433	14.1
59.05018	8.4
65.65265	7.4
67.05506	91.3
69.03421	8.4
69.07072	22.1
71.04999	8.8
71.61591	13.1
79.05500	86.3
81.03410	58.2
81.07059	74.0
83.04979	30.7
83.08623	35.2
85.02921	10.6
91.05479	100.0
93.07044	69.6
95.04993	35.6
95.08608	52.8
95.42252	8.3
97.06557	13.5
97.10175	32.6
105.07044	56.9
107.04949	37.8
107.08578	48.1
109.06526	19.5
109.10149	12.2
111.04460	11.2
111.05910	7.3
111.08093	11.7
117.07029	36.5
119.08564	38.6
120.52392	6.8
121.06494	9.8
121.10153	21.5
123.08058	11.1
123.11746	11.4
125.09653	20.3
129.07027	23.9
131.08592	19.2
133.10149	32.6
135.11740	15.0
143.08594	13.9
145.10133	23.5
147.08020	12.0
147.11694	22.3
159.11732	7.5
161.09721	9.8
163.11229	16.4
171.11734	15.3
175.11171	13.3
185.09769	9.7
189.09328	7.8
189.11247	12.9
191.10611	9.6
193.12328	24.3
207.13809	8.3
209.11647	11.1
219.13788	10.7
223.13266	7.8
227.12790	16.4
249.14851	12.5
267.15836	24.3
281.17508	16.7
289.02820	7.6
345.21942	8.7
399.25613	12.2
473.29276	53.5
483.75781	8.0
491.26581	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.1
53.18999	0.9
55.01630	1.2
55.01875	17.5
55.05511	29.1
57.03432	6.8
57.07074	1.9
57.14432	0.8
59.05004	5.5
65.03946	1.6
67.05503	29.6
69.03425	3.7
69.07066	9.0
71.01341	2.0
71.04990	8.0
71.60370	1.0
72.40881	0.9
73.02934	1.1
79.05492	43.1
81.03420	23.2
81.07059	33.2
83.01345	12.7
83.04979	25.3
83.08619	17.7
85.02903	6.8
85.06553	1.6
91.05479	30.7
93.07040	49.4
95.04971	15.6
95.08604	16.9
97.02864	4.3
97.06535	11.4
97.10170	3.6
98.30499	0.8
99.04462	4.6
103.05460	1.6
105.04488	1.3
105.07030	21.4
107.04949	15.9
107.08592	25.0
109.02905	1.5
109.06521	14.2
109.10162	4.7
111.04449	6.1
111.08084	3.8
115.05475	1.3
117.07020	16.7
119.08580	18.8
121.06516	6.1
121.10137	14.9
123.04429	1.7
123.08051	14.3
125.05975	3.8
125.09640	3.2
126.01852	0.9
128.06181	1.2
129.05505	1.4
129.06999	3.9
130.07811	4.0
131.04918	1.4
131.08575	7.2
133.10135	3.5
135.08051	4.3
135.11693	22.4
137.09616	4.0
139.07556	1.8
143.08582	1.8
145.06474	1.5
145.10120	29.8
147.08058	3.6
147.11691	1.3
149.09650	1.7
153.09084	1.0
153.12752	10.9
155.08582	2.8
163.11179	59.9
163.67859	0.8
165.09119	1.1
166.76659	1.0
171.11691	1.2
173.09610	7.4
173.73427	0.8
181.12239	9.9
189.11226	1.2
191.10674	8.4
193.12244	0.9
208.49828	0.8
209.11728	21.7
227.12769	15.3
265.14301	1.1
381.20444	1.1
473.29279	1.7
491.26367	100.0
492.26468	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	491.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.2
55.01876	16.9
55.05259	2.5
55.05511	33.8
57.03416	7.2
57.07070	2.2
59.04990	4.7
65.03931	2.6
67.05168	2.6
67.05501	29.7
69.03427	2.7
69.07068	8.5
70.23107	4.8
71.01350	3.2
71.04975	7.7
72.51855	1.4
77.03910	1.7
77.62438	1.5
79.05061	3.2
79.05492	45.4
81.03416	24.7
81.07055	38.5
83.00948	1.7
83.01347	15.0
83.04547	2.2
83.04982	25.0
83.08619	16.1
85.02902	5.7
85.06512	2.3
91.05482	32.8
93.07044	51.0
95.04967	19.5
95.08603	18.1
97.02894	5.0
97.06530	9.9
97.10168	4.1
99.04451	3.9
105.04552	2.6
105.06361	2.6
105.07024	19.2
107.04951	20.1
107.08595	26.4
109.06526	14.0
109.10155	4.4
111.04425	7.1
111.08037	4.6
115.05417	2.3
117.07033	17.8
119.08573	15.1
121.06496	6.3
121.10129	16.1
123.08057	17.9
124.86909	1.7
125.05988	4.0
125.09590	2.8
129.06970	4.6
131.08549	6.5
133.10074	4.0
135.08035	4.1
135.11697	23.3
137.09622	2.5
143.08583	2.7
145.06496	3.6
145.10121	29.7
147.08073	4.2
149.09654	2.5
153.12741	10.4
155.08571	2.8
163.11176	61.1
173.09579	7.7
175.11261	1.7
181.12297	8.4
188.93921	1.9
191.10722	8.6
209.11723	22.6
219.13760	2.2
227.12822	15.3
283.15326	2.1
341.03723	1.8
459.27179	5.9
491.26270	100.0
492.26797	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	491.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.4
55.01868	10.1
55.05511	61.2
55.05767	2.2
57.03411	5.8
59.04977	2.0
65.03912	1.9
66.12267	1.2
67.05502	35.3
69.03387	5.4
69.07070	15.7
70.81111	3.0
70.81453	1.7
71.01335	1.3
71.04995	8.2
75.71191	1.3
79.05489	44.7
81.03415	13.5
81.07055	36.8
83.04990	8.1
83.08617	39.9
85.02902	2.2
85.06496	3.1
91.05479	21.5
93.06493	1.9
93.07034	33.2
95.04971	16.3
95.08600	16.7
97.02839	3.4
97.06541	8.3
97.10168	75.1
103.05423	2.1
105.07039	17.0
107.04951	30.7
107.08593	32.9
109.02828	5.4
109.05809	1.3
109.06511	15.5
109.10142	9.4
111.04379	2.6
111.08001	5.6
115.05395	1.9
117.07040	10.8
118.06812	1.6
119.04939	1.4
119.08591	9.5
121.02816	2.4
121.06512	19.6
121.10136	10.6
122.75610	1.3
123.04390	1.8
123.08006	4.7
123.11661	2.6
125.09624	52.6
128.06221	1.8
129.06938	5.0
131.04881	2.4
131.08542	14.2
133.06398	4.0
133.10123	8.3
135.04431	2.2
135.08061	12.6
135.11646	6.7
137.05916	2.1
139.07520	1.7
139.11082	1.6
141.06960	2.7
142.14787	1.3
143.08485	3.5
143.10597	1.4
145.06401	6.0
145.10120	10.2
147.07932	4.3
147.11609	3.5
149.05966	1.4
149.09555	2.9
151.03822	1.7
153.09087	6.6
153.12744	1.5
155.08444	2.8
157.10027	3.7
159.08035	2.6
159.11609	2.2
161.06009	1.9
161.09624	6.8
163.11156	8.8
167.10632	2.0
169.06247	1.5
169.10033	2.4
171.07980	2.1
171.10075	4.5
171.11505	1.8
173.09547	2.3
173.13301	7.2
175.11099	3.0
181.12206	2.8
185.09630	1.9
189.09286	2.3
189.11209	34.9
189.12836	1.6
191.10565	2.5
191.14319	8.4
193.12105	5.3
199.11218	2.3
199.13126	2.7
201.12640	3.1
203.10567	2.7
209.09682	1.2
209.11603	5.1
217.12144	1.4
219.13802	56.5
221.11641	1.8
225.11070	3.1
227.12784	23.7
237.14755	1.8
241.12103	1.6
245.11536	1.9
247.13203	1.4
249.14735	3.9
257.15329	1.5
263.12808	8.2
265.14063	2.8
265.80307	1.6
273.14627	2.5
275.16318	2.8
277.17743	1.4
281.13458	1.7
349.21323	2.9
353.20941	2.7
355.15302	1.7
357.23886	1.9
367.22678	7.0
371.22095	7.7
381.20242	5.0
385.23672	8.7
389.23242	9.9
399.21426	7.2
403.24493	2.6
407.23972	3.5
417.22318	4.8
441.25882	3.7
445.25748	22.5
447.27115	3.4
459.27420	24.9
460.14651	1.5
463.21405	1.3
463.26791	16.0
473.25085	17.6
483.47913	1.6
491.25922	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	491.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97578	0.5
54.70022	0.4
55.01860	0.6
56.96556	0.6
66.41171	0.4
67.05480	0.5
69.03435	0.7
69.07048	0.5
70.06576	1.8
71.04966	1.2
81.07027	0.7
81.50505	0.4
83.04984	0.5
85.02926	2.1
86.09682	1.9
87.04464	0.6
87.16991	0.4
87.26296	0.5
91.05450	0.5
94.06589	0.7
97.02863	0.7
98.97577	0.6
102.13892	0.4
103.58059	0.4
107.07299	0.5
109.06611	0.5
120.08132	0.6
132.08089	1.7
134.05969	0.5
137.05983	0.7
140.06981	0.9
148.07564	1.8
150.05676	0.4
151.07487	0.7
152.07013	0.6
168.06532	0.9
173.10806	0.5
174.07936	3.8
175.08669	0.9
175.40562	0.5
186.09068	0.5
189.09105	0.5
198.09239	0.6
199.08670	2.1
199.12206	0.6
200.09407	1.0
201.10268	3.1
209.10812	0.6
211.08560	0.8
212.64236	0.5
213.10190	1.7
214.10966	1.1
215.11765	5.4
216.12633	0.9
225.10245	1.3
226.10957	1.4
227.08159	1.1
227.11711	3.5
228.08549	0.6
229.09789	3.6
229.13303	2.2
239.11740	3.1
241.09674	1.5
241.13379	0.6
242.10565	1.6
243.11285	2.6
244.12057	0.9
253.13211	1.7
255.11256	3.5
257.12848	2.9
267.12680	0.6
269.12799	2.5
270.13531	0.6
271.14401	0.8
273.12427	1.6
281.12863	3.6
283.10849	0.8
287.13892	6.8
288.14502	1.0
297.12045	2.4
298.13214	2.6
299.13892	25.7
315.13382	17.0
316.14157	66.1
317.14566	1.4
329.24524	0.5
431.14496	1.7
463.16986	1.3
473.15662	1.0
491.16580	100.0
492.17010	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	491.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.6
55.05510	0.3
56.96552	0.6
57.03410	0.3
61.02907	0.3
67.05502	0.6
69.03402	0.8
69.07048	0.7
70.04876	0.7
70.05287	0.6
70.06580	1.7
70.52591	0.2
71.04972	0.6
72.08134	0.8
79.05494	0.3
80.59146	0.2
81.03396	0.4
81.07032	0.6
83.04960	0.4
84.08147	0.5
85.02905	1.4
86.09706	2.7
87.04447	0.3
91.05463	0.8
93.07027	0.3
94.06542	0.9
95.04920	0.6
95.08633	0.4
95.45161	0.2
97.02896	0.7
98.21397	0.4
98.97554	0.7
104.07065	0.3
107.07329	0.6
109.10139	0.5
118.23201	0.3
119.08585	0.4
120.04486	0.3
120.08080	0.8
121.08862	0.9
121.10136	0.6
122.06026	0.5
127.03915	0.5
127.07554	0.2
132.08104	1.2
133.10130	0.4
134.06033	0.6
134.99661	0.3
137.06000	0.5
139.11160	0.4
140.07060	0.8
146.06035	0.4
147.06682	0.4
148.07578	1.4
149.09656	0.4
151.07545	0.3
158.99699	0.5
162.05464	0.3
168.06580	1.2
168.07922	0.3
174.07896	3.1
175.08658	1.1
176.07033	0.5
177.00710	0.4
188.09435	0.7
189.09105	0.3
194.08127	0.3
197.10678	0.3
198.09149	0.7
199.08614	1.9
199.12206	0.4
200.09349	0.8
201.06587	0.4
201.10233	2.9
210.08705	0.3
211.08594	0.7
211.12378	0.5
213.10229	1.6
214.10986	1.0
215.11815	5.7
215.13841	0.5
216.12602	1.2
218.96623	0.3
222.07269	0.3
225.10130	1.3
226.11047	0.9
227.08199	1.3
227.11751	3.8
228.08685	0.3
228.12523	0.6
229.09750	4.0
229.13332	2.2
238.12199	0.5
239.11813	3.1
241.09773	2.1
241.13318	0.6
242.10355	1.7
242.14580	0.4
243.11279	3.1
244.09988	0.3
244.11935	1.4
251.11893	0.4
252.09317	0.6
253.13448	1.6
255.11285	3.7
256.11880	0.7
256.28409	0.3
257.12885	2.7
259.14514	0.3
261.09998	0.4
269.12842	3.0
270.13568	1.0
271.14325	0.5
273.12262	1.5
280.11951	0.5
281.12869	3.1
283.10770	1.0
287.13895	6.4
288.14606	1.3
297.12009	2.0
297.15195	0.5
297.64938	0.3
298.13129	2.0
299.13895	26.1
301.12030	0.5
313.14548	0.3
315.13388	17.1
316.14160	63.1
317.14722	0.7
322.09122	0.4
385.14221	0.3
403.15100	0.5
431.14557	1.9
445.15891	0.3
463.17227	1.3
473.15591	0.8
491.16589	100.0
492.16922	1.0
500.10425	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	490.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01868	0.4
55.05510	1.4
55.57442	0.3
57.03441	1.8
59.04995	0.3
61.02933	1.9
67.05515	2.5
68.05036	0.6
69.03432	6.3
69.07063	2.2
69.62517	2.0
69.62938	0.6
70.06588	1.8
71.05013	1.7
73.02905	1.2
74.81133	0.3
75.25285	0.3
79.05489	2.0
80.05015	0.5
81.03431	1.8
81.07061	2.3
81.23908	0.3
82.06573	1.0
84.08151	1.0
85.02908	9.4
86.06075	0.6
86.09698	0.8
87.04472	2.1
91.03963	0.7
91.05476	0.7
93.07059	1.9
94.06553	1.0
95.04976	0.7
95.08600	2.3
96.08131	4.2
97.02896	4.5
97.06492	0.7
98.09677	0.5
98.97597	0.4
99.04462	2.3
101.06042	0.4
105.07032	0.9
107.08588	1.4
108.08122	1.3
109.02892	1.4
109.06517	1.4
109.10168	0.8
110.09686	1.2
115.03968	0.4
116.10724	0.7
119.08578	1.1
120.08036	0.7
121.10114	0.7
122.06040	0.5
122.09679	0.5
123.08080	0.4
123.10440	0.4
123.11783	0.4
124.11241	0.3
127.03916	2.6
128.49823	0.3
131.08623	0.5
133.10156	0.6
134.09721	0.6
135.11662	0.6
136.07605	0.6
137.09657	0.4
142.08615	0.4
145.04962	1.0
147.11665	1.0
149.09668	0.4
153.01825	1.0
155.10661	0.9
157.10124	0.5
161.13286	0.4
165.13039	0.4
173.13359	0.3
180.10153	0.3
189.12830	0.3
199.14873	0.5
202.05028	1.3
207.13768	1.2
212.16476	0.8
229.05086	0.4
237.05489	0.6
246.22130	0.9
248.23740	16.0
257.04526	0.6
257.19202	0.4
259.06180	0.4
262.21732	0.6
264.23230	27.3
265.05023	1.3
265.23642	0.4
266.24774	9.3
272.20093	0.7
273.20724	0.4
274.21262	0.4
275.19891	0.5
282.24283	13.0
283.06033	1.0
285.04092	0.6
286.04611	0.7
287.05502	3.9
288.05945	0.3
292.22702	2.1
296.13498	0.4
308.22354	0.4
310.23749	8.7
311.05453	3.6
312.05466	0.4
326.23395	0.5
327.23569	0.5
328.04596	0.3
328.08124	7.3
328.24820	18.4
329.06390	5.4
358.22385	0.4
370.25861	0.5
428.30051	1.5
444.29642	3.3
472.28900	1.6
490.15491	1.9
490.30112	100.0
491.30508	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	490.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08684	1.0
55.01860	2.1
55.05507	4.0
56.96567	1.1
57.03444	1.8
61.02919	1.4
62.06085	1.3
66.92580	1.2
67.05501	3.3
69.03422	7.2
69.07054	4.4
70.06588	2.1
71.04980	2.8
71.08624	8.6
71.60992	1.4
72.08134	3.1
73.02914	1.4
75.52663	1.1
78.93926	1.0
79.05490	4.2
81.03413	4.1
81.07049	6.7
83.08607	2.9
84.04519	1.3
84.08131	1.5
85.02908	11.9
86.06062	28.7
86.09695	1.9
87.04470	11.9
91.05469	5.0
93.07032	3.9
95.04958	3.0
95.08599	5.9
96.08149	2.8
97.02900	7.0
97.06522	4.8
97.10165	1.9
98.06075	1.6
98.09706	5.9
99.04461	2.9
99.08099	10.9
105.07029	4.7
107.08588	4.2
108.08099	2.1
108.08904	1.2
109.02872	2.9
109.06490	1.5
109.10161	3.7
111.08001	1.7
113.29903	1.1
115.03939	5.3
116.10725	26.5
119.08585	2.8
121.10143	3.5
122.09699	6.2
123.08049	4.0
123.11694	1.3
124.07575	1.3
125.09628	1.4
127.03849	5.7
131.08594	1.3
133.10143	2.3
134.09659	3.6
135.11639	1.3
136.12128	1.6
137.09534	1.3
143.10678	3.5
145.04948	2.8
145.10112	2.5
147.11650	4.0
151.07484	1.8
152.10716	2.1
154.15901	2.0
159.06520	2.0
159.11607	1.3
165.09122	2.6
166.15915	1.7
170.11940	1.4
178.15944	2.1
184.13359	4.3
189.09081	1.2
194.11815	3.5
196.16949	7.8
207.13811	2.2
212.12819	48.4
214.18019	100.0
219.13751	1.4
230.13864	85.7
231.14294	1.2
242.17488	1.6
259.90826	1.4
261.13275	3.8
271.06058	1.8
272.06387	4.3
281.15012	2.9
287.05542	6.6
301.07022	1.7
304.42172	1.3
310.20102	5.3
310.23688	2.9
327.38031	1.2
328.21176	22.7
328.24716	2.4
374.18182	5.8
376.23447	6.2
392.19110	19.8
490.26959	10.3
491.11365	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	490.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36961	0.9
55.01876	1.2
55.05509	3.4
56.88377	0.7
56.96537	0.8
57.03446	0.9
57.07072	1.3
58.78497	0.9
61.02909	1.1
62.06091	2.3
67.05489	3.8
69.03425	6.0
69.07062	4.6
69.96619	1.3
69.97028	3.2
70.06583	2.9
71.05004	1.4
71.08624	8.7
72.08150	1.0
73.02888	1.0
79.05495	2.8
81.03403	2.9
81.07053	8.7
82.07380	1.7
83.08610	1.2
85.02903	9.0
85.06548	1.1
86.06068	27.2
86.09692	1.4
87.04463	7.7
91.05458	1.4
93.07053	4.0
94.07365	0.9
95.04981	2.3
95.08610	7.8
96.08147	1.5
97.02892	3.5
97.06516	1.7
97.10126	1.2
98.09689	4.6
98.97546	1.0
99.04427	2.1
99.08096	7.0
105.07020	3.0
107.08606	4.5
108.08131	1.7
108.08836	1.0
109.02869	2.1
109.06512	1.1
109.10143	5.5
111.08080	1.0
115.03928	3.6
116.10734	22.7
116.98643	0.8
117.10893	0.8
119.08572	2.2
121.10146	3.2
122.09682	3.2
123.08058	11.5
123.11672	2.0
123.60635	1.0
125.09602	1.2
127.03917	3.0
133.10109	2.1
134.09596	4.1
135.10446	0.9
135.11694	2.0
137.09627	1.3
137.13214	1.3
142.08687	0.9
142.12286	1.9
143.10646	7.9
145.04971	1.6
147.08125	1.1
147.11687	1.8
148.11145	1.0
149.09570	1.2
151.07545	1.6
152.10684	3.0
159.11673	1.1
160.13277	0.9
164.10695	1.3
165.09064	1.3
184.13358	5.5
194.11777	4.4
207.13821	5.1
212.12810	55.7
214.17999	4.8
230.13866	100.0
231.14307	1.1
261.13266	1.3
281.15005	3.0
310.20007	2.2
328.21176	46.5
361.13187	1.1
374.18024	3.6
392.19202	11.5
392.91290	0.9
490.26840	5.7
490.33755	1.0
491.18274	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	490.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.1
55.01863	2.0
55.05511	3.0
57.03437	2.7
57.07066	0.9
59.04989	0.8
61.02917	1.4
67.05508	2.0
68.99795	0.4
69.03426	4.8
69.07056	1.6
70.06592	1.9
70.71864	0.8
70.72236	0.8
71.04979	1.6
73.02901	1.9
73.06547	0.7
74.11867	0.3
79.05489	1.7
81.03410	6.3
81.07047	5.7
83.04979	5.4
83.08607	1.0
84.58555	0.4
85.02903	28.6
85.06531	1.2
86.09710	0.4
87.00362	0.6
87.00830	6.0
91.03946	0.5
91.05465	2.4
93.07048	3.3
95.04952	2.1
95.08607	3.8
96.37520	0.3
97.02288	0.6
97.02891	9.3
97.06523	2.2
99.04436	2.9
105.01861	6.9
105.07037	3.8
107.08596	6.1
109.02879	7.9
109.05785	0.8
109.06516	11.1
109.10147	3.1
111.08076	3.8
117.01861	0.6
119.07809	0.5
119.08588	5.6
121.06521	0.9
121.09311	0.7
121.10142	10.6
123.08074	5.0
123.11697	14.5
125.05991	0.9
125.09645	0.8
127.03908	12.5
129.01839	0.9
131.08543	1.3
133.06400	0.5
133.10109	1.8
135.08086	1.1
135.11671	1.6
137.05940	0.6
137.09612	23.7
137.13240	1.3
145.04959	3.7
145.10092	1.5
147.08031	2.1
147.11688	13.2
149.02327	3.3
149.09630	5.3
150.10287	0.6
151.07523	1.3
151.11172	0.9
156.09306	1.1
159.02902	2.6
159.07948	0.4
161.09650	1.0
161.13261	7.3
163.11153	1.2
165.12744	100.0
166.13074	0.6
171.11621	2.6
174.10388	2.4
179.14316	8.0
189.12744	18.0
207.13795	58.3
213.03918	2.0
221.08192	0.5
225.14833	0.7
231.04968	4.7
249.06056	1.2
293.13855	0.9
310.27448	0.9
328.28372	1.0
437.17953	0.6
472.20764	0.6
472.28470	0.8
481.57245	0.4
490.34271	2.0
491.24237	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	489.3577
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
50.90361	2.8
55.05512	14.0
57.03437	3.5
67.05507	58.5
68.15699	2.3
69.07076	16.1
71.40780	2.2
71.60522	3.0
79.05496	20.8
81.07056	33.8
83.08622	8.9
91.05481	18.0
91.79634	2.4
93.07045	30.4
95.04955	6.4
95.08630	18.2
97.06489	3.4
97.10188	6.2
105.07037	16.5
107.08608	18.5
109.10155	28.8
117.07025	6.8
119.08576	22.5
121.10162	10.7
123.08073	2.6
129.06963	3.2
131.08578	14.6
133.10155	13.0
135.11719	9.7
139.11185	2.7
143.08591	5.6
145.10152	13.1
147.11725	8.8
157.10130	5.7
159.11731	8.1
161.13310	8.1
171.11726	7.1
173.11765	8.9
173.13184	6.0
185.13341	4.8
190.39944	2.8
197.13449	2.7
199.14870	5.3
213.30502	2.5
225.16434	3.0
227.17957	2.9
330.30408	3.0
379.30170	8.0
397.31189	9.6
415.32401	3.8
471.35028	10.4
489.35907	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	489.3576
Annotation	Orthosphenic acid
Peak:m/z	Relative Intensity
53.03933	1.7
55.01862	2.3
55.05504	8.4
57.03438	2.3
57.07068	1.9
59.05001	2.0
65.03928	1.6
67.05504	46.8
69.07065	7.8
70.69567	5.3
71.04987	2.0
79.05491	18.8
81.07057	27.6
83.08606	5.6
84.94322	1.3
85.06535	2.0
91.05482	16.5
93.07045	23.3
94.25957	1.6
95.04963	2.2
95.08599	18.1
97.10167	3.3
104.16449	1.4
105.07038	13.7
107.08588	12.9
109.10160	30.5
111.08049	1.6
117.07027	4.5
119.08577	14.4
121.10142	8.8
123.11727	1.7
123.39190	1.4
125.09621	1.7
129.07021	1.8
131.08562	10.0
131.30875	1.5
133.10141	11.0
135.11696	3.6
137.09691	1.3
143.08563	3.9
145.10143	9.7
147.11652	7.8
149.13280	2.8
155.08563	2.0
155.38701	1.4
157.10176	2.6
159.11673	7.0
161.13264	4.3
169.10133	1.5
171.11697	3.6
173.10452	1.5
173.11746	8.8
173.13268	5.9
183.11714	2.2
185.13223	1.9
187.14877	3.0
199.14999	1.8
201.49690	1.6
215.71585	1.4
261.22235	2.9
379.29929	6.7
397.31265	6.1
415.32193	2.1
419.79306	1.5
440.19659	1.4
446.36441	1.6
471.34711	8.3
489.35794	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	489.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	3.3
53.03934	6.2
53.47430	1.7
55.01876	11.9
55.05270	1.8
55.05512	26.1
55.64791	1.6
57.03420	6.3
59.04990	3.3
65.03950	3.9
67.05507	50.2
69.03417	2.5
69.07070	12.0
71.01350	2.4
71.05002	7.4
71.60088	1.9
73.02921	2.3
73.06558	1.7
73.33437	1.6
79.05495	69.4
81.03417	18.4
81.07059	47.6
83.01331	4.5
83.04986	20.6
83.08620	15.0
85.02917	3.8
85.06551	3.6
91.05482	60.9
92.05804	1.8
93.07047	68.9
95.04974	29.5
95.08609	29.3
97.02888	3.7
97.06546	8.2
97.10175	4.9
99.04430	3.2
103.05491	2.5
105.04507	2.7
105.07031	46.0
106.97424	1.5
107.04960	15.7
107.08591	22.7
109.06538	8.3
109.10145	6.4
111.04418	2.2
111.08077	3.3
115.05466	1.6
117.07012	15.4
119.08583	27.9
121.06508	4.8
121.10156	11.7
123.04417	1.7
123.08077	9.0
125.09673	3.6
128.06227	2.7
129.07004	16.3
130.07761	1.6
131.08537	10.0
133.06429	2.5
133.10129	10.2
135.08070	3.4
135.11684	12.9
141.06966	2.6
143.08589	8.8
145.06425	2.0
145.10130	27.5
147.04443	1.9
147.08098	3.4
147.11696	26.5
149.09637	2.4
153.12749	2.2
153.61359	1.5
155.08542	2.0
159.11766	2.9
161.09616	4.4
161.13258	8.9
163.11171	25.6
171.11699	20.8
173.09639	4.3
180.71085	1.6
181.12238	3.5
185.13234	2.3
189.12721	9.0
191.10710	3.4
207.13797	30.8
209.11726	6.5
221.31783	2.0
225.14845	4.5
227.12793	9.3
235.99341	1.6
241.14099	1.8
265.14392	3.2
268.49203	1.6
281.17358	7.4
285.10110	2.3
305.17325	2.0
379.22592	2.1
471.27396	10.6
489.28476	100.0
490.28574	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	489.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12330	0.5
53.03923	0.6
55.05508	2.9
55.16470	0.6
57.03416	0.9
59.04997	1.8
63.25268	0.5
67.05495	2.0
68.99797	0.5
69.03433	4.0
69.07053	2.0
69.46960	5.0
71.04987	1.3
72.08144	0.8
73.02902	0.7
79.05486	1.6
81.03410	2.1
81.07059	4.1
82.27437	0.5
83.04974	1.2
83.08611	1.8
84.08173	0.6
85.02901	6.5
85.06548	3.2
86.09676	1.7
87.00819	1.6
91.05480	2.1
93.07064	3.2
95.04952	2.3
95.08599	4.9
97.02880	1.9
97.06525	2.1
98.20800	1.1
99.04444	0.8
103.88094	0.5
105.01865	1.6
105.07029	6.1
107.08582	4.5
109.02869	1.7
109.06530	2.7
109.10114	2.8
111.08079	2.1
117.07008	0.9
119.08568	4.3
121.06486	1.0
121.10137	12.6
123.08058	2.0
123.11716	1.2
127.03885	2.8
129.09164	0.9
131.08569	1.9
133.10129	1.9
135.08057	1.1
135.11710	4.1
137.06049	1.1
137.09592	2.9
137.13271	0.6
139.11182	0.9
143.08511	0.8
145.04944	1.4
145.10112	5.2
147.08047	1.7
147.11691	16.0
149.09637	1.4
153.12718	3.3
155.10632	0.6
159.11714	1.2
161.13191	0.9
165.09103	4.8
165.12788	1.4
167.10771	3.4
175.14732	0.7
177.16408	0.8
179.14220	0.6
181.12244	1.2
182.63873	0.6
187.14827	3.3
192.87239	0.6
193.15852	0.9
203.14307	1.3
204.25908	0.6
205.15886	8.9
211.16908	1.3
221.15364	12.1
223.16930	9.9
231.83739	0.7
241.17986	33.0
242.18358	0.7
310.99680	0.6
327.93640	0.6
357.18842	10.3
378.01837	0.5
489.23059	100.0
490.23380	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2311
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
55.01852	0.3
55.05506	0.4
57.03428	0.3
67.05506	1.6
69.03417	0.9
69.07074	1.3
70.06585	0.6
70.32561	1.2
71.04996	0.5
71.47198	0.2
72.08152	0.9
79.05486	1.1
79.86794	0.2
81.03410	0.4
81.07050	2.9
83.04997	0.4
83.08627	0.5
85.02917	1.6
85.06530	0.7
86.09711	0.8
91.05472	0.9
93.07056	1.5
95.04958	0.7
95.08602	2.4
97.02886	0.6
97.06554	0.5
97.10142	0.2
99.04479	0.3
99.08100	0.4
105.07036	1.1
107.08551	1.3
109.02852	0.2
109.06516	0.5
109.10156	2.0
111.08099	0.6
119.08608	1.2
121.10162	1.0
123.08047	0.6
123.11691	0.9
123.58378	0.3
125.09675	0.5
127.03868	0.6
127.47424	0.3
131.08586	0.5
133.10115	0.7
134.99660	0.3
135.08035	0.3
135.11696	1.0
137.09637	0.6
145.04970	0.4
145.10129	0.6
147.07980	0.3
147.11685	0.6
149.09662	0.4
149.13216	0.6
159.11719	0.5
161.13255	0.3
163.11166	0.4
165.09134	0.6
173.02982	0.4
187.14806	0.3
205.12239	0.6
205.19615	0.5
223.20538	0.3
275.06134	0.3
291.26938	0.4
307.09067	0.3
309.20447	0.3
317.08466	0.5
335.09570	0.5
357.18829	9.5
357.23273	0.5
365.19421	0.3
489.23062	100.0
490.23340	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	488.2702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.05509	6.1
57.03433	6.4
57.07070	6.2
59.04989	1.7
61.02906	0.8
63.42222	0.7
67.05505	1.2
69.03423	1.7
69.07060	1.2
70.06581	2.9
70.82493	0.7
71.01358	0.8
71.04991	47.7
73.02914	2.4
73.96347	0.7
75.04479	2.6
78.90553	0.9
79.05487	2.0
81.03454	1.1
81.07051	2.2
83.05004	4.2
83.08614	2.3
84.04476	1.2
85.02903	63.6
86.06071	2.5
86.09713	5.3
87.04464	2.2
89.06028	19.5
91.05461	1.2
93.07047	1.8
95.04955	1.4
95.08591	2.1
95.67391	0.7
97.02890	3.5
97.06541	0.7
98.97601	1.1
99.04453	1.2
101.09654	8.7
107.07069	24.2
109.02882	1.1
111.04446	7.9
122.06007	2.9
127.03883	2.4
129.05476	19.5
129.10246	1.0
130.06587	1.3
133.10138	0.9
135.11678	0.9
136.07564	1.1
136.56433	0.7
145.04936	1.1
147.06506	9.9
150.09167	0.9
157.52361	0.8
163.13289	100.0
164.09166	1.8
164.13646	1.6
245.12715	0.8
245.18488	0.9
255.08836	1.0
255.13669	0.8
264.23383	0.8
272.20013	5.0
290.21167	5.3
308.22095	4.6
309.11795	0.9
326.23251	10.2
333.08151	1.0
334.08273	1.2
335.09763	0.8
397.10522	1.2
428.17511	1.1
430.86572	0.9
468.05356	0.9
488.21503	9.1
488.28525	7.4
489.23007	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.6
55.05510	2.3
56.05043	1.9
56.96577	1.4
57.03441	16.8
57.07079	7.9
59.04997	2.1
61.02917	2.6
63.51342	1.3
67.05494	2.9
69.03429	4.6
69.07067	4.5
70.06597	7.5
70.92023	4.1
70.92382	1.7
71.04996	70.2
71.36243	1.3
72.08144	5.4
73.02924	2.9
73.06564	1.2
75.04468	5.4
79.05502	2.5
81.07063	2.3
83.04983	9.9
83.08633	1.8
84.04485	4.5
84.08138	4.4
85.02911	100.0
85.06532	10.5
86.09716	19.0
87.04475	2.3
87.55771	1.4
89.28522	1.3
91.05499	2.4
93.07025	2.0
95.04980	5.6
95.08615	2.5
97.02888	7.0
98.06079	1.8
98.97584	8.1
99.04446	2.3
101.06010	3.9
102.05566	1.7
103.03899	1.6
103.07584	60.3
105.07023	1.6
107.08627	1.9
109.02902	2.4
111.04446	6.6
113.06023	3.1
113.18665	1.4
116.98616	5.6
120.08105	1.7
121.10134	3.8
123.06755	1.4
126.87357	1.4
127.03898	5.4
127.06731	1.3
127.07545	7.7
129.05489	39.5
129.10243	1.9
131.07054	3.3
133.10156	2.0
134.99655	4.6
135.08076	1.9
136.07578	3.1
137.44798	1.3
145.04977	4.5
145.08617	7.9
147.06540	17.1
154.08600	1.7
163.09665	56.3
177.00711	5.0
181.96376	1.4
184.07404	1.9
187.10893	1.4
219.01801	2.8
237.02864	1.9
243.13443	1.6
255.08615	2.9
255.12241	2.6
262.18036	2.0
265.11694	1.8
273.09720	1.6
286.14111	1.4
290.21158	4.0
308.18958	2.3
308.22244	4.6
309.15436	3.8
312.92029	1.6
313.22116	1.8
315.13464	1.4
326.19727	3.2
326.23331	7.0
327.14740	3.9
438.92288	1.5
450.22006	1.5
470.19092	2.5
488.20111	2.7
488.28003	6.0
489.19589	4.6
499.54398	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	487.3056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78723	2.1
52.09084	2.6
53.03928	9.2
53.84550	2.5
55.01870	5.8
55.05514	27.3
57.03412	5.5
65.03926	5.1
67.05507	78.1
69.07071	17.1
71.04987	2.7
71.60312	3.4
72.53425	2.6
73.06533	3.3
77.03909	2.7
79.05492	95.0
81.03400	11.6
81.07056	60.7
83.04967	17.2
83.08616	8.8
85.06538	3.9
91.05482	82.2
93.07044	72.9
95.04963	34.7
95.08605	35.2
97.06509	10.6
97.10142	3.8
105.07031	63.6
107.04939	11.3
107.08597	32.0
109.06493	13.8
109.10160	5.2
117.07045	14.9
119.07812	3.1
119.08585	39.0
121.06493	4.7
121.10164	6.1
123.08055	9.6
128.06226	4.2
129.06999	21.4
131.04967	2.6
131.08594	13.2
133.10107	11.0
135.11679	6.1
143.08546	12.9
145.10114	16.2
147.11697	42.5
155.08392	3.4
161.09633	4.7
161.13255	18.8
163.11116	4.9
171.11678	43.0
171.46561	2.2
179.14264	4.7
189.12738	23.4
207.13782	47.6
212.69421	2.6
225.14793	12.4
233.15453	3.1
242.81686	2.5
281.17383	4.9
395.07312	3.4
403.34628	2.8
487.30435	100.0
488.30731	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	487.3052
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	8.7
55.01880	2.5
55.05511	23.9
56.96564	7.2
57.03433	3.9
61.02919	3.2
63.47369	1.9
65.03934	5.2
67.05505	69.4
69.03423	4.7
69.07073	15.0
69.30206	25.5
71.04974	3.3
73.02889	3.0
73.06544	4.0
74.99231	2.0
79.05493	100.0
80.55418	2.3
81.03429	17.0
81.07056	52.2
83.04986	15.0
83.08614	10.3
85.02895	4.4
91.03951	2.3
91.05483	74.9
93.07042	74.5
95.04973	31.1
95.08603	32.1
97.02903	5.3
97.06525	9.3
97.10167	5.6
98.20669	4.9
103.05490	3.9
105.07030	60.7
107.04935	7.9
107.08598	24.4
109.06509	7.6
109.10159	10.9
111.08089	4.3
115.05409	2.7
117.07022	12.3
119.08586	32.3
121.06552	2.9
121.10143	8.5
123.08051	10.3
123.11702	2.7
128.06203	3.7
129.07019	19.4
131.08592	8.1
133.10143	16.5
135.11726	2.5
143.08583	11.6
144.80273	2.4
145.10138	11.7
147.08104	2.7
147.11694	43.4
159.11722	2.7
161.09636	6.7
161.13234	18.6
171.11688	38.4
179.14400	3.6
181.54572	2.7
189.12766	20.0
207.13795	43.8
225.14894	14.0
261.40082	2.5
263.16495	3.5
267.09094	7.8
281.17410	4.0
285.10107	10.5
324.11682	3.2
395.25690	2.2
428.00211	2.2
453.21640	4.0
469.22672	4.7
469.29245	4.1
487.30527	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	487.1948
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78438	1.0
53.03941	2.1
55.01867	1.8
55.05507	7.4
56.96561	2.5
57.03419	2.1
57.07080	1.4
59.05003	2.4
64.72442	1.2
67.05503	11.1
68.75520	1.0
69.03433	6.5
69.07074	14.2
69.89887	7.6
70.06581	2.1
71.05004	5.6
73.06572	2.1
79.05494	6.9
81.03423	2.8
81.07064	27.2
83.04964	5.0
83.08609	5.3
85.02918	12.7
85.06528	4.8
86.09695	5.6
91.05463	7.4
93.07058	17.0
95.04967	23.6
95.08612	18.5
97.02907	6.2
97.06487	5.8
97.10144	2.4
98.97572	4.2
99.04464	2.6
99.08083	2.9
105.07037	12.7
107.04962	1.5
107.08586	13.7
109.02870	1.2
109.06512	5.3
109.10159	14.9
110.97589	1.3
111.08085	3.8
111.11753	2.0
115.03938	1.3
115.07594	2.9
116.98631	4.3
117.06998	1.6
118.18220	1.3
119.08595	10.3
121.06530	1.7
121.10144	12.5
123.08070	4.6
123.11729	8.5
125.06001	2.1
125.09615	4.2
126.15383	1.1
127.03925	5.0
127.07528	2.1
127.11205	1.2
128.98595	4.5
131.08572	3.3
133.06473	1.5
133.10123	10.7
134.99669	2.0
135.08052	3.2
135.11699	8.6
137.05974	3.2
137.09595	4.0
137.13243	3.6
139.11182	3.5
143.08627	1.5
145.04962	2.0
145.10118	5.2
146.99690	5.8
147.11720	6.5
149.09605	2.5
149.13249	5.6
151.11188	2.1
153.12767	3.8
155.08569	1.7
157.10114	3.5
159.11699	5.2
161.01216	1.4
161.09662	3.1
161.13281	4.0
163.11163	3.4
165.00737	1.2
165.09097	3.9
165.12825	2.2
169.10039	1.6
170.67821	1.2
170.99644	2.6
171.11674	1.9
173.09773	1.3
173.13271	3.5
175.11215	2.4
175.14902	1.9
187.14767	2.3
189.00734	5.8
189.12704	1.7
189.16324	1.7
191.17917	1.9
203.17897	2.9
205.16039	1.4
208.88867	1.5
215.17990	2.5
227.17941	1.3
231.01915	1.6
233.18932	3.1
245.18909	2.3
249.02853	10.6
251.20107	5.1
263.20016	3.9
271.24277	1.4
272.04453	1.9
277.25235	4.2
289.25272	3.0
291.03940	5.3
307.26367	8.0
333.08054	2.1
349.05331	4.6
359.25565	2.0
367.14380	4.9
415.32330	2.5
469.29465	1.5
487.19351	100.0
487.32581	30.5
489.44803	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	487.1449
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.05507	0.3
56.96560	0.3
57.03437	1.4
58.58632	0.2
68.99785	0.5
69.07066	0.3
69.87135	1.1
70.06581	0.6
71.04996	11.0
72.08129	0.4
73.02912	0.3
75.04475	0.5
79.37316	0.2
81.03398	0.2
81.07045	0.3
82.07421	0.2
83.04961	0.5
84.04508	0.2
84.08141	0.2
85.02908	13.1
86.03189	0.2
86.09705	0.8
95.08615	0.2
97.02899	0.4
98.97577	0.8
107.08581	0.2
111.04443	0.6
116.98637	0.9
119.08560	0.4
126.05199	0.2
127.03917	0.2
129.05476	3.6
134.99669	0.6
142.17313	0.2
145.04956	0.2
147.06543	0.8
155.03395	0.3
158.99663	0.2
177.00693	0.7
179.03398	100.0
180.03699	1.0
219.01799	0.3
235.30257	0.2
237.02881	0.4
289.10922	0.3
307.12268	0.3
341.08698	10.3
342.08820	0.3
385.15277	0.2
409.15234	0.3
427.16403	1.7
487.19550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61494	0.4
55.05518	0.6
57.03452	0.9
57.97859	0.4
59.21323	0.4
65.39252	0.4
69.03432	1.0
69.95144	2.5
70.06585	1.3
71.04988	5.6
72.08148	2.0
75.04469	0.4
83.04990	0.8
85.02913	6.7
86.09699	0.7
87.05555	0.5
97.02877	0.7
99.91323	0.4
105.06992	0.4
111.04451	1.3
123.04433	3.9
129.05450	1.5
133.02856	4.1
135.04352	0.7
148.42421	0.5
151.03946	2.4
165.26433	0.4
177.09085	0.7
179.03403	100.0
180.03714	0.9
271.14005	0.5
341.08682	3.7
366.91534	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.3111
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.0
55.01867	5.5
55.05510	18.4
57.03434	8.0
57.07055	5.4
59.04993	5.1
61.02915	8.7
67.05499	32.2
69.03434	36.5
69.07070	45.0
70.13541	6.6
70.13959	7.3
70.61030	3.0
71.01334	3.9
71.04998	25.9
73.02907	6.9
79.05119	3.5
79.05499	37.8
81.03431	18.5
81.07061	89.0
83.04974	12.6
83.08611	11.0
85.02421	4.5
85.02906	57.3
85.06525	11.1
85.09923	2.6
87.04474	5.3
88.56808	2.9
91.03925	3.3
91.05476	26.5
93.06467	6.1
93.07044	94.5
94.07384	2.6
95.04956	19.2
95.08612	83.3
96.70832	3.4
97.02877	25.1
97.06526	15.2
97.10156	8.6
99.04437	8.3
99.08089	2.9
105.07025	36.6
107.08595	64.8
107.09303	6.3
109.02876	10.3
109.06509	12.0
109.10159	65.2
111.08096	9.7
117.07012	6.9
119.08580	39.4
121.06484	5.1
121.09314	6.0
121.10146	100.0
123.08050	9.3
123.11700	32.9
125.05964	8.4
125.09608	12.8
127.03938	15.2
127.11153	3.6
129.06976	3.5
131.08560	16.9
133.10150	22.1
135.08061	5.0
135.11688	50.4
137.05972	5.6
137.09642	14.0
137.13261	6.2
139.11168	13.0
143.08531	5.2
143.10677	10.1
145.04961	7.8
145.10133	27.0
147.08041	4.0
147.11707	24.9
149.09628	12.1
149.13283	16.1
151.11176	8.5
151.14920	3.3
153.12747	10.1
157.10126	9.9
159.11687	18.0
161.09595	7.2
161.13228	11.0
163.11212	26.7
163.14830	3.4
165.09161	6.3
165.12715	2.9
167.10692	11.1
169.09993	4.1
171.11690	5.0
173.09729	2.9
173.13280	9.3
175.14824	6.6
177.12738	4.1
177.16371	3.6
179.10664	4.8
181.12228	30.6
185.13269	5.6
187.14793	5.2
189.16425	6.9
199.14864	5.9
201.16368	13.4
203.17880	4.0
207.17345	3.4
213.16479	5.1
219.17416	11.2
227.17963	2.8
269.22632	11.8
271.13800	4.4
277.25192	3.0
278.54865	2.8
279.77969	3.5
287.23581	17.1
305.24741	50.5
323.25842	49.6
347.09497	7.8
349.11060	5.5
425.17599	3.5
485.17130	5.1
485.23413	22.3
485.31058	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	485.2873
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
52.65308	1.3
55.05513	2.9
57.03428	6.3
57.07073	23.1
57.46648	1.2
57.46909	1.4
67.05512	7.1
67.29132	1.1
69.07068	3.7
69.58713	1.1
71.08635	14.4
71.61173	2.1
81.07034	5.2
83.08620	4.7
85.10188	7.7
85.76427	1.3
89.06028	1.8
93.96162	1.4
95.08618	9.9
98.98470	15.9
109.10142	4.2
123.11754	1.6
136.93565	1.3
146.68097	1.3
151.46971	1.4
155.01003	9.4
173.02185	1.6
181.00336	1.2
183.01306	1.3
194.09828	1.6
239.23535	1.7
247.05745	2.0
273.91647	1.3
313.27347	100.0
314.27737	1.8
314.79761	1.3
393.23785	2.1
449.26465	8.6
459.06937	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	484.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	2.1
57.07077	13.8
58.06592	1.2
67.05502	1.9
68.35684	0.8
68.98440	0.7
69.07065	2.5
69.37512	9.2
70.06596	11.6
71.08626	7.2
71.68027	0.8
73.02913	1.5
81.07064	2.9
83.08629	1.9
85.10175	3.0
88.07627	17.2
93.07050	0.8
95.08600	2.0
101.90270	0.8
102.09179	13.0
109.10170	1.2
112.35667	0.9
133.10149	1.0
200.20142	5.0
228.23225	38.0
246.24338	2.2
255.23174	3.1
256.26437	3.1
274.27499	1.0
283.26309	38.9
311.29523	3.5
484.47241	100.0
485.47534	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	484.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.1
57.06868	1.4
57.07082	15.3
58.70642	1.4
60.79057	1.4
67.05496	1.7
69.07054	3.9
70.06592	9.0
71.08617	6.6
71.32338	3.0
72.20757	1.4
81.07057	3.5
85.10175	3.3
88.07619	13.5
88.44162	1.4
102.09181	10.5
104.21022	1.3
180.97455	1.5
182.59174	1.4
198.57631	1.3
200.20070	18.9
218.21117	2.1
228.23273	19.7
255.23347	2.6
256.26352	2.2
283.26303	26.3
311.29474	18.8
484.47238	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	484.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27191	0.6
51.74147	0.4
55.01872	3.2
55.05512	1.4
57.03440	5.5
59.04990	1.3
61.02927	4.1
67.05491	0.8
69.03432	10.1
69.07066	4.3
70.06602	0.8
70.65906	1.8
71.01350	1.4
71.05000	2.9
71.08633	47.4
73.02917	18.8
79.05495	0.5
81.03403	2.5
81.07047	1.4
83.04976	0.7
85.02905	24.0
86.09703	0.5
87.04489	1.6
91.03939	0.7
91.05468	0.9
93.07071	0.6
95.04941	0.8
95.08617	1.4
97.02892	16.3
97.06504	1.2
99.04469	1.2
99.08096	100.0
100.08368	0.6
103.03933	1.2
105.07002	1.2
107.08547	0.8
109.02856	1.8
109.10149	1.1
111.11729	0.8
112.80263	0.4
115.03925	7.0
121.10147	0.9
127.03922	7.4
129.05450	1.1
129.12762	11.1
133.04970	7.5
141.07005	2.8
145.04977	7.9
148.07605	0.6
155.14317	2.8
163.06007	2.3
163.11174	0.7
173.15381	98.3
174.15730	0.9
222.81451	0.5
223.06001	1.2
241.07115	2.0
259.08136	1.8
305.14963	0.9
315.13364	3.6
359.69821	0.5
366.42175	0.5
440.21933	0.5
484.21884	1.1
485.19998	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.2753
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37009	0.4
55.01863	3.1
55.05508	1.1
57.03436	5.3
57.07062	0.7
59.04997	1.7
61.01780	0.4
61.02919	4.4
67.85849	0.4
69.03425	9.7
69.07072	3.8
69.72952	1.5
69.73378	1.6
71.01357	0.9
71.05007	0.7
71.08630	43.2
73.02914	19.9
81.03417	2.0
81.07050	0.8
85.02905	23.4
87.04461	1.4
91.03952	0.8
97.02890	18.7
98.21507	0.5
98.76958	0.4
99.04459	1.7
99.08091	98.6
100.08420	0.5
101.07158	0.7
103.03930	0.8
105.07066	0.5
109.02880	2.0
115.03930	8.3
117.09188	0.5
119.39086	0.5
122.09675	0.6
127.03923	8.5
129.12750	10.8
133.04970	9.4
145.04958	9.1
155.14293	2.8
163.06084	4.1
173.15370	100.0
199.06017	0.8
210.67659	0.4
211.05968	0.5
221.63239	0.5
223.05994	2.0
241.07056	2.0
259.08151	2.6
277.09229	0.6
369.62402	0.5
383.11908	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.272
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05263	1.5
55.05513	17.3
57.03447	5.3
57.07079	9.0
67.05501	3.6
69.07071	22.6
69.35826	8.1
71.08632	6.2
79.05503	2.3
81.07042	5.1
83.08618	18.3
85.10188	1.4
93.07032	2.4
95.08612	2.6
97.06542	2.0
97.10173	10.7
98.98463	8.2
107.08631	2.6
109.10123	1.0
111.11735	4.2
111.56310	0.9
121.10146	3.0
123.11686	1.1
123.58998	0.9
125.09650	0.7
130.89384	0.8
135.11658	2.2
142.36816	0.8
155.01067	4.6
182.93071	0.8
237.22141	1.4
311.25818	100.0
312.26132	1.3
447.25012	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96140	1.0
53.03951	7.3
55.01869	4.9
55.05508	13.7
57.03442	4.9
57.07066	1.1
61.02919	3.3
67.05489	5.4
68.99789	3.1
69.03430	28.3
69.07058	5.4
70.06581	1.3
70.72858	3.5
71.01366	1.2
71.04987	4.3
72.08147	1.2
73.02921	7.2
79.05496	7.0
81.03419	25.2
81.07056	19.9
83.04990	3.0
83.08605	2.3
84.98065	0.9
85.02905	46.5
85.06553	4.2
86.09702	2.1
87.00829	18.3
87.04465	1.9
91.03960	2.5
91.05461	9.3
93.07044	11.9
95.04963	4.9
95.08600	8.6
97.02901	17.1
97.06533	4.2
97.10196	1.6
99.04455	10.8
99.08145	1.4
103.03997	1.2
105.01865	14.7
105.07024	15.8
107.04986	1.3
107.08595	10.3
109.02876	28.4
109.06522	4.8
109.10144	8.8
111.08096	3.3
115.05476	0.9
117.01855	3.8
117.07047	2.3
119.08582	12.7
121.06494	1.6
121.10139	6.8
123.08070	4.6
123.11707	3.5
125.06036	1.7
125.09642	1.4
127.03913	42.4
129.01848	2.8
129.07018	2.3
131.08530	6.2
133.10129	17.6
135.08076	2.9
135.11691	3.9
137.05989	1.5
137.09644	3.5
142.07799	1.5
143.08595	4.2
145.04945	18.5
145.10110	5.5
147.02914	3.5
147.08075	9.4
147.11671	5.0
149.09610	18.3
149.13354	1.1
151.11140	1.3
156.09294	1.2
157.10170	4.9
159.02882	14.4
159.08041	1.8
159.11734	4.5
161.09621	19.0
161.13263	2.5
161.15486	1.1
162.10390	11.0
163.11177	9.5
163.14807	1.4
165.09174	3.5
171.11726	4.1
173.13275	2.8
175.07523	1.4
175.11211	3.2
175.14868	1.9
177.04024	1.8
179.10704	4.4
184.12479	1.5
185.13251	1.3
189.03918	1.6
189.12682	1.3
189.16422	3.0
199.14751	5.1
213.03966	3.2
217.15874	100.0
221.11870	2.0
231.05070	8.2
235.16983	4.6
243.17639	1.7
261.18558	2.1
289.14920	1.6
303.23203	1.8
427.16571	1.3
429.30212	1.5
465.21088	3.1
483.22327	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	483.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46165	2.0
57.03442	2.3
60.04521	2.3
61.02924	3.6
69.03413	5.3
70.06574	5.2
70.54515	6.9
81.03413	3.3
84.04533	2.5
84.08153	2.4
85.02911	17.1
86.09718	2.5
91.05481	2.8
95.08576	3.0
96.53433	2.0
97.02874	8.8
98.97588	3.7
110.06042	2.2
119.04930	2.9
120.08064	3.2
133.79381	2.0
147.04416	21.7
154.56773	2.1
169.08701	2.4
196.09911	6.5
206.08385	18.6
209.10762	2.6
211.12350	8.9
221.10721	8.2
223.08662	3.7
224.09500	6.4
225.10156	2.4
227.08139	3.2
237.02797	3.0
237.10387	2.1
238.11060	7.2
239.11798	24.7
257.12894	5.2
267.11292	55.9
272.11627	5.2
285.12326	55.8
303.13400	100.0
321.05777	2.4
321.14413	9.2
483.19061	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	483.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	1.2
57.32872	1.1
57.60707	0.9
58.54583	0.9
60.81525	0.9
61.02917	2.1
67.05502	1.4
67.69656	1.2
69.03429	6.4
70.54423	1.9
70.54810	2.5
81.03408	2.8
83.04971	1.4
83.21645	1.0
85.02901	11.0
86.42001	1.0
87.04455	1.3
87.87299	1.1
91.14507	1.0
94.06580	3.9
96.08131	2.7
97.02902	3.6
108.08112	1.7
109.02876	2.6
110.06026	2.4
110.09683	5.1
118.06554	2.4
120.08112	4.0
120.71831	1.3
122.06014	2.2
123.06768	1.2
127.03918	2.4
128.76955	1.1
136.07527	1.6
138.05505	4.5
138.09128	21.6
139.03885	3.3
144.08073	1.5
146.06020	7.3
156.06551	15.6
166.08638	32.1
170.08424	1.1
183.35304	1.1
184.11226	1.7
188.07054	10.9
188.10701	2.9
196.09979	2.4
197.10753	1.3
202.08562	1.3
205.09654	5.1
206.08351	9.4
210.11481	1.7
211.12323	5.4
213.10075	1.2
214.08765	1.1
216.10291	3.1
220.09903	1.2
221.10745	4.5
223.08714	2.5
224.09462	3.9
225.10156	1.6
227.08128	2.5
230.11844	2.4
232.09625	1.4
234.11278	4.3
237.10349	1.9
238.11067	2.8
239.11812	9.6
241.09718	3.3
255.11220	1.1
257.12769	2.2
258.11295	3.6
262.10687	5.4
267.11276	24.6
270.53937	1.3
271.10794	2.8
272.11584	7.4
275.13898	1.3
276.12329	9.3
285.12341	26.5
290.12643	3.7
303.13394	26.3
304.11703	8.8
321.14447	100.0
348.95734	1.2
381.10498	1.4
442.04507	1.2
483.19772	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1475
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.4
56.65027	0.3
57.03434	0.6
61.02936	0.3
64.67787	0.3
65.59465	0.3
67.05492	0.7
67.77970	0.3
69.03422	0.6
69.07060	0.3
69.38428	3.0
70.06599	0.4
71.04998	2.4
79.05497	0.4
81.03374	0.3
81.07023	0.5
81.99487	0.3
85.02901	3.3
86.09725	0.4
91.05486	0.4
91.77901	0.3
93.07022	0.6
95.08595	0.4
97.02909	0.5
97.06538	0.4
98.21528	0.6
98.97573	0.3
103.05470	0.5
105.07028	0.5
107.08593	0.6
109.06544	0.3
109.10125	0.5
112.68228	0.3
114.37106	0.3
119.08596	0.3
121.10160	0.4
131.04945	0.6
133.10173	0.5
135.11667	0.3
163.07500	0.5
163.11136	0.4
164.07091	0.3
165.09137	0.4
175.03647	1.4
185.04144	0.8
243.08707	0.3
267.19565	0.3
289.08444	0.5
303.19513	0.5
331.10010	6.7
337.08878	2.1
437.20020	0.3
451.12436	0.3
483.14758	100.0
484.15167	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	483.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.8
56.96568	8.3
57.03414	2.5
61.02917	3.4
64.92074	1.4
69.03445	8.2
73.02901	3.3
81.03448	2.4
81.58035	1.4
82.99830	1.9
85.02908	20.2
97.02912	9.8
98.20776	3.6
98.97591	15.1
101.00881	5.5
102.96951	1.6
109.02837	1.8
110.97540	3.3
112.89594	6.2
114.89271	2.2
116.98618	12.0
119.01919	23.6
120.08123	2.7
125.18966	1.5
126.05466	1.8
127.03909	6.6
128.98596	4.9
129.04001	1.8
131.00183	2.5
131.01901	13.8
133.03458	3.4
134.99646	7.4
137.02946	5.5
142.47739	1.5
143.01874	17.8
145.03433	13.0
145.04964	3.2
146.02200	2.2
146.99628	7.2
147.01410	2.6
149.01198	4.8
149.02927	5.0
152.99652	2.1
155.01888	18.5
157.03447	8.2
158.99686	10.3
161.01404	2.9
161.02966	34.7
163.04530	2.9
165.00771	2.8
167.01929	6.7
169.03401	3.1
170.99687	3.4
171.05078	2.8
173.01401	2.8
173.02959	46.2
175.04509	4.6
177.00700	13.7
177.02246	2.9
179.02095	2.9
182.53474	1.8
183.01404	2.2
183.04973	2.0
185.02953	46.6
187.04541	8.6
189.00697	10.4
189.06006	2.5
191.02266	2.1
191.03925	6.2
191.54070	2.5
193.00072	2.4
193.03650	2.0
196.04601	3.7
197.02972	16.5
199.04497	3.9
200.04382	2.6
201.00661	8.7
201.02443	29.8
201.04262	2.7
201.06079	10.1
203.02261	2.3
203.04028	16.5
203.67685	1.6
207.01692	2.4
209.03046	2.1
209.04909	2.8
211.04445	2.0
213.02449	6.4
213.05933	2.0
215.04027	8.4
219.01706	11.9
219.03531	95.2
221.03152	2.4
221.05043	7.4
224.03920	2.1
227.04012	8.7
230.55618	2.4
231.03465	9.5
237.02660	11.5
237.04813	2.8
239.06090	2.4
240.02377	2.1
242.05080	5.1
243.03714	2.8
245.05080	100.0
246.05312	2.3
249.04666	7.8
252.50906	1.9
255.03639	5.6
257.05112	6.1
261.02386	4.1
261.04938	11.1
263.06131	13.6
272.06470	3.3
272.56833	2.9
273.04681	2.4
275.06207	15.3
279.03900	6.7
281.07010	7.3
281.57184	7.4
282.07471	2.4
282.57587	2.0
285.04568	4.1
286.07690	2.4
291.03754	2.6
291.09167	2.2
293.07275	3.6
303.05725	20.0
303.08884	2.8
305.07214	11.2
307.08789	2.2
315.17169	1.8
321.06827	36.5
321.10266	4.3
321.14072	2.1
335.08112	4.5
337.09436	3.0
339.07620	2.3
353.07504	1.9
355.09360	2.7
362.09421	2.1
362.59866	3.8
365.09042	7.3
367.09323	2.4
422.14328	1.8
483.11713	48.2
483.18164	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	482.2597
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45628	1.1
53.03947	3.2
55.01862	4.4
55.05510	7.8
57.03427	1.8
57.06842	1.2
57.07076	11.4
59.05009	2.8
61.02919	3.0
63.52116	1.5
67.05492	3.6
69.03132	1.6
69.03429	18.6
69.07065	48.8
69.86577	6.0
69.86998	1.9
71.05002	8.0
71.08639	7.7
73.02912	2.9
73.06555	11.1
73.80448	1.1
81.03420	15.7
81.07034	2.2
83.08608	3.1
85.02902	41.8
85.10164	4.1
87.00827	20.5
89.06028	28.4
91.03942	3.2
91.05479	1.6
93.07029	2.4
95.08569	1.7
97.02895	29.8
97.06474	1.6
99.04440	8.1
99.11747	2.3
105.01864	32.9
107.08583	2.1
109.02888	14.6
109.10139	2.1
111.04394	1.6
111.11719	84.0
111.92344	1.4
117.01836	2.1
122.13567	1.6
127.03908	35.0
129.12753	100.0
145.04970	15.5
145.68037	1.4
147.02881	1.7
159.02885	9.1
189.03990	2.6
199.16925	19.0
213.03879	1.8
217.17990	18.8
228.13141	1.7
231.04988	10.9
249.06139	4.4
359.17026	3.4
392.15131	1.6
464.27621	1.9
482.27582	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	481.2041
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.4
56.96554	0.9
63.80470	0.8
67.05514	1.9
69.03435	1.5
69.07059	2.8
69.31546	1.4
69.31885	9.2
71.04990	1.3
79.05490	2.3
81.03410	2.5
81.07057	5.5
83.04989	1.4
85.02897	2.4
91.05453	2.3
93.07059	4.2
93.07556	0.8
95.04969	1.3
95.08595	4.4
96.08216	0.8
97.06481	1.0
99.04435	0.9
105.07030	3.1
107.08591	2.3
107.61502	0.8
109.02884	0.9
109.10159	3.1
111.08072	2.1
119.08579	4.4
121.06541	0.8
121.10120	2.0
123.08018	1.5
123.11640	0.9
131.08594	1.4
133.10141	3.9
135.11674	2.4
136.07573	1.1
136.11966	1.0
137.05992	3.3
137.09599	1.3
141.19728	0.9
145.10152	1.7
147.11627	2.0
149.09547	1.2
155.83853	0.8
157.10149	1.0
163.11172	1.6
175.14835	3.2
191.14381	1.1
198.10977	0.8
207.17809	0.8
245.06407	2.1
261.24890	0.8
264.12952	1.1
271.04257	1.4
283.15424	2.6
284.15857	5.9
285.17010	1.3
288.14081	2.6
288.64139	1.0
289.05301	35.8
301.21344	1.0
319.22650	0.9
395.20432	1.6
404.09253	1.3
419.20071	0.9
437.21472	8.6
445.67828	0.8
463.19434	15.3
463.25830	1.6
481.20453	100.0
482.20966	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	481.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05785	0.5
52.32626	0.5
55.29776	0.5
56.05029	0.9
67.05468	0.7
67.67184	0.5
69.03434	1.3
70.06592	5.9
71.04992	1.2
71.29757	1.0
72.08117	0.7
74.06070	1.6
79.98719	0.5
81.03418	0.8
82.89470	0.5
84.76833	0.5
85.02898	4.2
86.09699	1.1
91.05476	0.6
95.08596	0.9
97.02879	2.0
97.26589	0.5
98.06059	0.5
102.79144	0.5
107.08622	0.6
109.02824	0.5
120.08115	1.0
121.10085	0.5
130.06500	0.9
133.05229	0.8
136.07552	1.3
140.07083	0.9
145.04996	0.7
149.05974	1.6
151.03899	2.1
156.06627	1.1
157.07620	2.0
158.05975	0.8
159.09212	1.0
161.05974	1.3
167.03136	0.9
173.07098	4.9
175.08676	1.2
177.05501	2.2
182.08096	0.7
185.04208	0.8
185.07167	0.7
193.08627	0.7
205.85504	0.6
215.06825	2.2
217.04721	1.3
227.05304	2.4
232.07077	13.8
232.09419	0.6
233.07823	6.0
239.17833	0.6
250.39696	0.6
260.09134	1.9
271.04242	3.1
273.12039	0.6
300.13434	1.4
301.11673	2.1
302.10150	6.8
319.12714	1.6
335.12469	2.2
366.14514	1.8
395.13254	2.9
419.13058	0.7
437.14218	24.3
438.14450	0.6
445.16183	0.8
463.17041	1.6
481.13126	100.0
482.13559	1.5
494.03345	0.6
494.13425	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18862	1.6
53.03922	2.5
55.01875	2.6
55.05506	5.1
57.03453	8.7
61.02917	1.7
66.03339	1.6
67.05515	17.2
69.03426	6.5
69.07062	12.0
69.92489	10.0
70.06580	1.7
70.38597	1.6
71.05000	57.0
73.02910	6.0
73.24919	1.5
74.06068	1.6
75.04465	3.8
79.05499	13.7
81.03400	5.8
81.07059	100.0
82.07374	2.1
83.04972	8.7
83.08620	3.3
83.31741	1.4
85.02910	81.9
85.06576	2.0
91.05477	7.0
93.07032	10.2
95.04980	3.7
95.08604	30.8
97.02882	8.7
97.06526	2.3
97.10179	1.9
98.21447	3.3
99.04474	3.9
105.01840	2.4
105.07003	4.8
107.08572	6.0
108.08869	2.4
109.02892	3.4
109.06498	2.4
109.10138	9.4
111.04448	4.9
111.11789	2.0
115.03924	2.7
117.06994	2.8
119.08538	3.6
121.06498	2.1
121.10146	3.1
123.11692	5.7
127.03919	6.5
129.05486	39.3
131.08578	3.3
133.10144	5.5
135.11682	3.2
137.06017	1.9
137.09584	1.7
137.13261	30.4
145.04965	4.0
145.10181	2.1
145.98065	1.6
146.08191	2.2
147.06514	19.7
147.11662	3.0
149.09673	1.8
149.13310	2.2
151.11189	4.8
157.10216	1.8
159.11664	2.6
161.13228	3.8
164.09187	6.3
165.09030	2.3
179.14340	2.9
180.11026	1.7
197.15421	2.2
213.88033	2.0
237.11450	1.8
255.08615	3.5
309.11954	2.3
319.22238	1.7
337.78735	1.9
462.28928	2.2
480.19504	1.9
480.27582	3.3
481.20255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.2
54.63539	0.5
55.05513	1.7
57.03432	3.9
57.07064	2.1
59.04994	0.9
60.61287	0.6
62.63563	0.5
67.05502	3.7
69.03428	2.1
69.07077	3.3
69.31483	0.9
69.31879	5.8
71.01376	0.6
71.04996	22.7
74.87659	0.5
75.04478	2.4
79.05494	8.8
81.03426	1.3
81.07056	100.0
82.07391	1.0
83.04998	5.1
85.02904	33.2
85.06523	1.4
87.04476	1.2
91.05491	0.7
93.07033	1.0
95.04972	0.9
95.08604	18.3
97.02908	1.6
99.04445	1.2
105.01843	1.0
105.07056	0.7
109.06531	0.9
109.10171	2.4
111.04464	1.8
119.08592	0.9
121.10204	0.9
127.03922	4.1
129.05478	17.2
129.06381	1.0
131.08563	0.6
133.10226	0.6
137.13252	24.9
145.04980	2.2
147.06522	10.1
147.07610	0.6
154.15961	0.8
164.09207	2.6
165.07375	0.6
179.95210	0.6
191.02733	0.7
229.12257	0.6
255.08693	1.1
273.09717	1.5
309.11786	1.6
348.26581	0.7
480.17529	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	480.2808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18862	1.6
53.03922	2.5
55.01875	2.6
55.05506	5.1
57.03453	8.7
61.02917	1.7
66.03339	1.6
67.05515	17.2
69.03426	6.5
69.07062	12.0
69.92489	10.0
70.06580	1.7
70.38597	1.6
71.05000	57.0
73.02910	6.0
73.24919	1.5
74.06068	1.6
75.04465	3.8
79.05499	13.7
81.03400	5.8
81.07059	100.0
82.07374	2.1
83.04972	8.7
83.08620	3.3
83.31741	1.4
85.02910	81.9
85.06576	2.0
91.05477	7.0
93.07032	10.2
95.04980	3.7
95.08604	30.8
97.02882	8.7
97.06526	2.3
97.10179	1.9
98.21447	3.3
99.04474	3.9
105.01840	2.4
105.07003	4.8
107.08572	6.0
108.08869	2.4
109.02892	3.4
109.06498	2.4
109.10138	9.4
111.04448	4.9
111.11789	2.0
115.03924	2.7
117.06994	2.8
119.08538	3.6
121.06498	2.1
121.10146	3.1
123.11692	5.7
127.03919	6.5
129.05486	39.3
131.08578	3.3
133.10144	5.5
135.11682	3.2
137.06017	1.9
137.09584	1.7
137.13261	30.4
145.04965	4.0
145.10181	2.1
145.98065	1.6
146.08191	2.2
147.06514	19.7
147.11662	3.0
149.09673	1.8
149.13310	2.2
151.11189	4.8
157.10216	1.8
159.11664	2.6
161.13228	3.8
164.09187	6.3
165.09030	2.3
179.14340	2.9
180.11026	1.7
197.15421	2.2
213.88033	2.0
237.11450	1.8
255.08615	3.5
309.11954	2.3
319.22238	1.7
337.78735	1.9
462.28928	2.2
480.19504	1.9
480.27582	3.3
481.20255	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.7
55.01868	9.7
55.05497	2.2
57.03430	21.9
58.93158	1.9
59.04994	4.2
61.02918	18.0
67.05505	6.9
69.03429	45.2
69.07063	59.9
71.01352	6.2
71.05005	2.7
73.02503	4.5
73.02914	91.7
73.07115	1.8
75.04493	2.3
79.05533	2.4
81.03422	9.3
81.07059	21.9
83.05004	4.5
84.04549	1.9
85.02901	100.0
87.04462	5.6
91.03956	6.0
93.06374	1.7
93.07018	3.1
95.04999	3.3
95.08608	8.7
97.02889	86.4
97.06547	1.8
99.04482	5.4
105.01852	2.0
105.07056	2.6
107.08643	3.8
109.02891	10.1
109.06552	2.9
109.10147	12.3
115.03932	46.6
119.08531	2.6
121.10156	4.0
122.09725	1.9
123.11702	85.9
127.03913	39.0
133.04961	54.4
136.08421	1.9
144.06604	3.9
145.04959	51.3
151.07660	2.2
151.09964	4.6
151.11179	86.0
156.81703	2.3
162.07655	2.4
163.06024	19.4
169.12267	12.2
180.08647	2.9
193.05069	2.3
196.62140	2.1
199.06128	2.1
217.06998	2.8
223.06010	5.7
241.07056	11.3
255.15990	2.2
259.08228	11.4
265.14456	3.9
283.15372	34.4
313.16489	3.7
475.43481	1.9
477.98062	2.0
480.18323	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	480.244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.1
55.01880	3.9
55.05510	6.1
57.03432	3.8
57.03680	0.8
57.07068	0.8
60.04522	5.4
60.40022	0.8
61.02913	2.7
67.05504	9.4
69.03424	3.7
69.07060	3.0
70.06587	1.1
71.04991	2.0
71.59287	1.2
73.02912	2.5
79.05487	13.5
81.03419	7.6
81.07056	13.3
82.06565	1.1
83.01328	1.8
83.04978	3.7
83.08608	6.6
85.02922	8.7
86.09702	1.4
87.00805	1.1
91.03936	1.0
91.05476	6.5
93.07043	18.2
94.06560	1.7
95.04979	4.6
95.08604	14.5
97.02906	5.4
97.06534	2.3
97.10159	1.0
99.04449	3.8
105.01855	2.2
105.07041	3.7
107.04949	5.9
107.08604	14.0
108.08102	1.3
109.02881	2.4
109.06511	2.6
109.10133	2.3
109.42794	0.7
111.04461	1.4
111.08083	1.3
113.70497	0.8
117.07019	4.1
119.08599	6.0
120.08060	1.3
121.06494	3.5
121.10155	8.8
123.08058	2.0
123.11740	1.1
125.05967	2.3
127.03901	3.4
131.08575	1.5
133.10103	2.1
135.08080	1.4
135.11696	22.2
136.07570	2.9
137.05972	3.3
139.07607	1.2
142.08656	0.8
143.08588	0.9
145.10118	17.0
147.08002	1.4
147.11757	0.9
149.09583	1.3
153.12753	1.1
154.08626	5.5
158.55305	0.9
163.11172	33.6
163.14842	1.1
166.08661	2.0
172.09703	2.4
173.09566	2.0
173.13274	1.0
181.12251	7.2
185.05305	0.9
190.10733	1.3
191.10750	1.3
209.11775	3.3
209.15399	1.2
227.12791	39.8
237.15022	1.0
251.08739	0.9
261.08734	2.2
283.15402	100.0
284.15875	1.1
319.04367	1.0
331.99371	0.8
339.10071	1.3
400.26962	1.0
406.23123	1.0
408.23932	1.1
444.25793	4.7
445.20462	1.2
462.21265	1.3
462.27042	13.9
480.17087	1.8
480.29398	1.3
481.20566	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80262	0.5
53.03928	0.8
54.19578	0.5
55.01873	4.1
55.05514	7.7
56.05018	1.1
57.03437	4.2
57.07048	0.5
59.04971	2.0
60.04519	1.5
61.02938	3.3
67.05174	0.6
67.05506	8.4
68.05830	0.5
69.03435	4.5
69.07070	4.0
70.03765	0.9
70.06562	1.7
71.01313	0.9
71.04970	2.0
71.15545	0.7
71.15873	1.0
72.15796	0.5
73.02906	1.2
79.05499	9.8
81.03418	5.8
81.07057	11.5
82.06577	0.8
82.07343	1.2
83.01343	6.1
83.04984	5.8
83.08635	7.8
84.08128	1.1
85.02428	0.8
85.02905	10.5
85.06512	0.6
86.03220	1.5
86.06052	1.0
86.09689	1.1
87.04452	1.2
91.03942	1.3
91.05491	7.9
93.07047	12.1
95.04985	3.7
95.08071	0.6
95.08611	6.9
96.08124	0.8
96.08913	0.9
97.02908	4.8
97.06505	2.3
97.10135	1.3
98.03215	1.1
99.04452	1.7
101.02399	0.6
104.42904	0.5
105.07056	3.8
107.04969	5.8
107.08607	7.4
108.08881	0.8
109.02866	0.8
109.06512	2.7
109.10171	2.6
111.04426	2.5
111.08067	1.1
114.09151	0.6
117.07029	3.2
119.08580	4.6
121.06493	1.8
121.10152	3.8
123.08087	4.0
125.05962	1.2
125.09594	1.1
127.03910	1.7
128.04251	0.8
129.06961	1.0
131.08553	2.0
133.10109	1.8
135.08041	2.0
135.11697	6.8
137.09639	1.0
145.06448	0.7
145.10139	8.9
146.66458	0.5
147.08026	1.3
149.02985	0.7
149.09598	0.9
153.12750	3.6
155.08493	1.3
163.09831	1.1
163.11189	15.8
165.09056	0.9
173.09666	3.3
181.12231	2.6
191.10677	3.3
209.11719	9.0
227.12779	9.2
236.23755	1.5
237.24083	2.0
238.24405	1.2
239.96371	0.6
248.39285	0.6
254.24840	1.2
255.25127	0.7
256.25497	0.7
264.26019	1.0
277.62952	0.5
280.26358	5.3
281.26703	5.0
282.27048	7.1
283.15405	100.0
284.15747	1.5
298.27402	6.3
299.27795	6.2
300.28073	8.7
301.16415	1.8
316.28479	7.3
317.28787	8.3
317.32205	0.9
318.06778	0.7
318.25708	1.0
318.29102	10.8
353.15744	0.7
357.05414	0.7
371.17062	0.5
462.33459	0.7
479.33975	4.5
480.34363	54.7
481.20261	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	480.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02895	0.4
52.04290	0.4
53.03918	0.9
54.53026	0.4
55.01839	1.7
55.05516	4.3
56.04999	0.8
57.03406	2.0
57.07048	0.6
60.04488	1.3
61.02926	2.4
63.94225	0.4
67.05506	4.9
69.03442	2.9
69.07069	3.4
69.79742	3.3
70.06551	1.3
71.04958	1.3
72.08115	0.7
73.02885	1.5
79.05501	6.6
80.05796	0.6
81.03415	3.2
81.07062	7.3
82.07362	0.5
83.01327	1.4
83.04942	1.6
83.08618	4.0
85.02917	7.4
86.03197	1.0
86.09672	1.1
87.03272	0.7
91.03913	1.0
91.05484	3.0
93.07053	10.7
94.06530	0.5
95.04967	2.5
95.08611	13.5
96.08120	0.7
96.08916	0.6
97.02919	3.7
97.06495	1.8
99.04487	2.3
104.10725	0.5
104.86797	0.4
105.07013	2.7
107.04940	2.6
107.08595	9.4
109.02882	0.7
109.06480	1.3
109.10164	2.8
111.04398	1.3
111.08044	1.1
117.07024	3.1
119.08579	4.4
121.06465	2.1
121.10135	5.4
123.08034	1.0
123.11725	0.5
125.06033	0.9
127.03862	2.1
130.07755	0.6
131.08511	1.1
133.10101	1.4
135.08029	1.4
135.10699	0.9
135.11699	18.1
137.05974	0.7
139.07449	0.7
143.08569	0.6
145.04927	0.7
145.09064	0.7
145.10127	10.7
147.11659	0.9
150.09048	0.7
153.12769	0.7
155.07253	0.5
155.08504	0.5
157.10048	0.5
163.11191	26.8
173.09561	1.0
181.12248	6.2
184.07301	1.0
191.10562	0.8
209.11703	2.1
227.12790	39.0
228.12970	0.5
236.23715	2.0
237.24086	1.3
238.24435	1.8
255.25111	0.9
261.08774	1.7
280.26358	1.4
281.26709	1.6
282.26996	2.0
283.15411	100.0
284.15842	1.6
298.27490	3.1
299.27811	3.7
300.28183	4.6
301.16519	3.7
316.28397	2.6
317.28799	3.8
318.29178	4.7
418.63681	0.5
462.33377	1.5
479.34363	1.6
480.17450	1.9
480.34433	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	479.3368
Annotation	Polyporusterone A
Peak:m/z	Relative Intensity
51.34851	1.2
52.05004	1.5
53.03926	1.9
55.01855	1.8
55.05294	1.8
55.05512	18.2
56.96563	2.2
57.03441	4.8
57.07070	3.3
59.04990	1.7
61.02915	1.5
65.03933	2.4
67.05505	31.2
69.03431	3.6
69.06718	2.5
69.07068	34.1
70.75408	3.1
70.75787	2.3
71.04993	2.7
73.02898	1.8
75.83004	1.2
79.05497	19.6
79.94176	1.5
80.05827	1.3
81.03419	8.6
81.07059	49.6
83.01291	1.3
83.04981	6.2
83.08616	12.2
85.02905	6.1
85.06528	1.7
91.03949	1.9
91.05487	16.8
93.07045	18.0
95.04964	9.3
95.08605	34.7
97.02884	1.8
97.06509	2.6
97.10153	7.0
99.00822	6.4
99.04453	5.0
105.07021	15.4
107.04970	4.2
107.08594	8.7
109.02843	1.6
109.06516	3.5
109.10153	19.8
111.04413	2.1
111.08056	3.8
111.11690	1.9
117.01841	3.1
117.07027	5.8
119.08585	9.6
121.06527	3.3
121.10166	7.2
123.08110	2.2
123.11745	9.2
127.03957	1.7
129.07019	3.0
131.08527	7.1
132.08824	1.8
133.06491	2.8
133.10124	7.2
135.04529	1.7
135.08084	3.3
135.11661	4.1
137.06004	3.3
137.13274	5.0
143.08618	2.2
145.10153	4.4
147.08060	4.0
147.11684	2.2
149.05980	2.4
149.09660	3.4
149.13202	2.7
151.07596	2.0
151.11218	2.0
153.01839	8.9
153.05470	3.8
157.10089	4.0
159.11731	3.4
161.05984	2.0
161.09650	2.2
163.03998	2.9
163.07535	2.2
163.11136	2.7
173.13275	2.1
175.07578	2.2
175.11180	3.3
177.05473	3.6
177.12727	1.5
179.10712	1.9
181.04970	13.6
183.06548	4.7
189.09117	13.5
191.07086	1.7
193.12276	6.1
195.06526	29.5
199.05946	2.1
203.10597	1.9
205.12177	1.8
207.06482	1.8
209.08069	15.7
209.11624	1.6
211.13306	4.6
221.08145	2.2
223.09686	20.4
227.12793	3.0
229.05002	3.7
235.09625	2.4
237.11217	20.3
249.11246	13.7
251.12706	6.9
253.14342	2.0
257.04486	7.8
258.05225	4.8
259.09100	1.5
263.12823	4.9
267.09021	4.2
267.15945	2.2
271.20404	3.4
277.14301	2.2
285.03989	2.2
285.10068	7.2
286.04752	4.6
287.05521	6.3
293.17554	4.1
297.03937	3.8
305.17252	1.7
307.19064	3.4
311.05328	3.6
319.18921	2.7
321.20630	1.7
323.05579	4.0
339.73422	1.5
349.17838	1.4
369.24112	2.1
374.30826	1.6
375.25330	3.3
387.25281	2.8
405.25391	1.6
411.10992	2.0
420.16150	4.4
435.14359	3.4
443.31628	100.0
444.31866	2.5
461.32825	57.0
479.17050	45.3
479.27097	3.9
479.34534	28.3
480.17297	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	479.1739
Annotation	Rhyncoside C
Peak:m/z	Relative Intensity
61.02935	0.5
69.03448	0.4
70.06585	1.5
71.05003	0.4
71.58141	0.4
72.08141	0.4
81.03449	0.4
85.02905	1.1
95.04993	0.5
96.28009	0.4
97.02889	0.5
98.97554	0.6
113.98701	0.4
116.98634	0.6
121.10087	0.5
122.06033	0.5
128.19911	0.4
133.68672	0.4
136.07597	1.0
137.09245	0.3
159.40201	0.4
164.07065	0.8
185.07907	0.6
194.51486	0.4
215.08189	0.5
285.12201	0.4
287.11020	1.4
299.14001	0.4
303.04861	0.6
307.12708	0.5
317.08383	0.5
317.14917	0.6
347.13153	8.5
353.63193	0.4
400.81924	0.5
419.15134	7.4
461.15585	1.1
479.17343	100.0
480.17789	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05516	4.3
55.29935	0.6
57.03435	1.5
59.05000	0.9
61.02937	0.7
64.69466	0.6
67.05505	5.1
69.03429	2.3
69.07070	3.6
70.06600	1.0
71.04981	1.7
71.60443	0.7
71.60865	1.3
73.02936	0.9
76.63530	0.7
79.05494	4.8
80.05829	1.1
81.03408	3.4
81.07066	9.6
82.07392	0.7
83.05028	1.6
83.08614	1.9
85.02906	2.8
85.06551	2.1
91.05501	4.1
93.07048	6.0
95.04984	2.3
95.08602	5.8
97.02907	3.0
97.06548	1.6
97.09589	0.7
97.10165	1.5
103.45922	0.8
105.07025	4.1
106.07343	1.0
107.04954	1.9
107.08598	5.4
109.02913	1.3
109.06513	1.7
109.10165	5.4
111.08089	1.5
117.07054	2.0
119.08578	4.4
121.06519	1.8
121.10137	4.5
123.08067	1.4
123.11723	2.1
125.09663	2.3
127.03919	2.6
129.06985	0.8
131.08566	3.8
133.10130	2.8
135.08072	2.2
135.11681	3.0
136.59018	0.7
137.05989	1.2
137.13289	1.0
139.11191	0.8
142.07718	0.8
143.08548	1.4
145.05028	0.9
145.10126	1.7
147.08066	2.2
147.11745	1.8
148.08904	0.7
149.09621	2.1
149.13266	0.9
151.07552	4.6
153.01846	1.9
153.05545	0.8
155.08629	0.8
157.10121	1.4
159.08116	1.7
159.11693	2.3
161.09631	1.8
163.11134	1.2
165.06851	0.7
165.09140	1.4
167.07121	0.8
171.11732	1.2
173.09596	1.1
173.13326	1.2
177.09181	0.7
183.11641	0.6
183.76114	0.6
185.04330	0.7
187.11125	0.9
191.10728	1.5
199.11432	0.9
203.05396	1.7
205.12212	1.0
227.05344	0.9
231.13661	1.0
245.06508	3.3
251.17809	0.8
268.16272	1.0
271.04453	0.9
281.19019	0.8
289.05322	36.5
299.19977	1.4
311.05557	1.3
317.21399	1.1
323.05545	1.8
369.24030	0.9
387.24484	1.1
393.18835	0.8
435.14493	1.9
435.20068	5.4
443.28030	1.5
461.13531	2.6
461.28152	4.5
479.18951	100.0
479.29797	2.6
480.19327	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.082
Annotation	Isoetin 4'-glucuronide
Peak:m/z	Relative Intensity
51.06320	0.3
51.70847	0.3
55.05468	0.4
55.42537	0.3
57.03385	0.8
61.02897	0.7
67.05434	1.3
69.03353	1.5
69.07027	0.7
69.55882	1.9
69.56287	0.7
70.06518	5.3
71.04919	1.2
78.44032	0.3
79.05415	1.0
81.03370	0.6
81.07065	1.9
82.06538	0.5
84.08130	0.4
85.02903	4.1
86.09704	3.3
87.04392	0.5
91.05398	0.5
93.06955	1.0
95.08534	1.4
96.08087	0.8
97.02805	0.9
99.04418	0.4
104.18626	0.3
107.08522	0.5
109.02824	0.7
109.10085	0.6
113.02249	0.3
120.08087	0.8
121.10081	0.6
123.00804	1.8
127.03857	0.7
127.08615	0.7
129.05392	0.9
133.02710	0.4
135.04401	2.5
137.02356	2.0
141.01775	0.5
145.04913	0.5
153.01830	2.6
155.08084	0.7
162.12079	0.3
169.01241	1.4
169.02574	0.3
183.14809	1.0
191.45718	0.3
201.05304	0.4
205.04955	0.5
229.04993	2.1
236.23679	0.6
247.06139	0.4
257.04443	3.3
259.06009	2.0
261.03928	0.5
262.25259	3.2
263.25558	1.0
275.05478	1.6
280.26373	5.3
281.26666	1.5
285.03931	4.0
286.17575	0.8
287.05624	1.1
298.27405	5.2
299.27704	1.5
303.04987	100.0
304.05334	2.8
306.14993	0.4
314.26801	0.4
315.27182	0.6
316.24765	0.6
316.28363	6.2
317.28613	2.3
343.19745	0.4
351.16843	0.4
353.25241	0.4
478.33670	18.8
479.08112	3.2
479.34149	8.4
502.21704	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11265	1.4
55.00058	1.6
62.06073	2.8
70.28650	4.5
70.29041	3.0
71.51904	1.6
82.68192	1.5
90.07475	1.5
94.93023	12.4
109.49291	1.6
112.89599	14.4
114.89340	14.5
136.94022	73.4
138.93880	1.8
148.94023	14.2
150.21852	1.5
166.95099	30.8
172.95325	2.4
178.95068	2.8
189.77226	1.7
196.94966	2.8
196.96147	5.8
202.89114	8.1
209.41930	1.8
214.89468	10.7
214.96281	3.3
226.96367	3.0
238.97107	2.0
248.89677	5.4
252.94337	1.6
256.90424	13.7
256.98203	19.1
284.83676	3.4
298.99200	2.7
344.85898	4.7
381.07935	100.0
419.03522	77.5
471.74951	1.9
494.92810	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	478.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.01873	0.7
55.05510	3.7
55.80875	0.4
56.05036	2.2
57.03426	1.3
57.07063	0.6
59.04983	0.5
60.04521	2.5
61.02920	1.6
67.05505	4.2
68.05032	0.6
69.03428	5.9
69.07075	3.2
69.27908	4.1
70.06573	1.2
71.04981	1.0
72.02923	0.3
73.02915	2.2
79.05504	2.2
81.03417	2.3
81.07054	3.8
82.06580	1.1
83.08641	1.7
84.08134	1.1
85.02906	14.1
86.06063	1.7
87.04471	1.7
87.67244	0.3
91.03947	0.9
91.05473	0.9
93.07047	1.9
94.06520	0.4
95.08603	3.5
96.08127	1.6
97.02886	4.5
97.10143	0.8
99.04456	1.6
100.07632	0.3
101.02367	0.7
103.03937	0.7
105.07030	0.4
107.08600	0.9
108.08099	0.4
109.02899	1.9
109.10137	1.8
110.09686	0.5
112.07613	0.5
114.09186	1.8
121.10157	0.6
127.03918	2.8
128.82930	0.3
130.08606	0.5
135.11713	0.4
145.04942	0.9
147.11787	0.3
151.75674	0.3
168.35738	0.3
172.11369	0.4
189.49495	0.3
196.20695	0.5
210.22237	0.7
236.23743	7.5
250.25436	0.5
254.24768	3.6
262.25302	3.1
264.15240	0.4
268.26563	0.4
280.26349	26.0
281.26776	0.6
287.05609	0.4
288.05804	0.7
298.27411	31.0
299.27893	0.6
307.78088	0.3
316.28470	41.9
317.28860	1.2
317.32889	0.4
340.28543	0.5
358.29529	1.0
460.32559	2.5
478.33755	100.0
479.34216	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	478.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26882	0.4
55.01793	0.6
55.05433	1.4
55.05713	0.8
56.04976	0.6
57.03343	1.4
58.06535	0.6
61.02841	1.1
61.03120	0.5
64.06699	0.4
67.05404	3.9
67.05793	0.6
69.03326	3.8
69.06971	1.5
70.06492	9.1
70.06918	1.3
70.58347	0.8
70.58744	0.7
71.04885	1.9
72.08085	0.6
73.02811	1.2
73.03214	0.4
79.05387	2.2
81.03301	1.3
81.06953	4.3
84.08041	1.1
85.02796	10.3
85.03354	0.9
85.06450	0.5
86.09590	2.5
87.04375	1.1
91.05409	0.7
93.06930	2.9
94.06517	0.4
95.04865	0.4
95.08481	2.8
96.08009	2.0
97.02779	2.8
97.06451	0.6
98.09566	1.5
99.04342	0.7
105.06953	0.7
107.08595	2.1
107.09152	0.6
109.02806	1.0
109.10047	1.6
110.09537	0.6
113.02314	0.4
114.09137	0.5
118.70637	0.4
119.08485	1.0
120.07962	1.3
123.00797	1.9
123.11605	0.7
127.03789	1.5
129.05382	0.5
133.10004	0.6
135.04295	1.8
135.11565	1.1
136.07497	0.4
137.02339	2.0
138.12692	0.5
145.04903	0.8
147.06520	0.5
153.01810	3.0
169.01207	1.8
205.04970	0.5
229.04926	2.3
236.23708	2.0
238.21579	0.9
245.04335	0.6
254.24779	0.6
257.04477	4.0
259.06070	2.3
261.03909	0.7
262.25299	12.1
274.04620	0.8
275.05502	1.2
280.26331	21.6
285.03894	4.3
287.05502	0.7
298.23828	1.7
298.27377	17.9
299.27707	0.8
302.04056	1.6
302.07104	1.3
303.04987	100.0
316.24994	1.9
316.28439	23.6
317.28864	0.5
363.45285	0.4
478.33932	62.6
479.08362	2.8
479.34579	2.5
502.22162	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	478.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.05515	2.3
56.05022	0.5
57.03431	2.5
58.06598	1.2
60.72629	0.3
61.02927	2.3
62.13648	0.3
67.05501	4.2
69.03427	7.6
69.07072	2.0
70.06589	11.3
70.74864	1.1
71.01327	0.4
71.04983	1.3
73.02911	2.0
74.06084	0.4
79.05478	1.6
81.03423	3.1
81.07053	6.0
82.75200	0.3
83.04965	0.3
83.08612	1.3
84.04514	0.4
84.08142	0.8
85.02904	14.6
85.95287	0.4
86.06062	0.4
86.09709	0.8
87.04461	2.2
91.03947	0.6
91.05486	0.6
93.07051	2.2
95.04967	0.6
95.08615	5.1
97.02897	4.5
97.10125	0.4
98.09696	1.3
99.04466	1.1
101.02365	0.8
103.03928	0.7
105.07055	0.5
107.08570	1.2
109.02858	1.8
109.10146	2.1
110.09686	0.8
115.03940	0.5
120.08128	0.4
121.10164	0.6
123.11738	0.7
127.03933	2.9
127.04754	0.5
129.07031	0.6
130.06517	0.4
145.04941	1.0
157.10092	0.6
172.38242	0.4
193.12286	0.9
198.18558	0.5
200.12888	0.5
207.48502	0.4
234.77040	0.4
236.23820	0.4
262.25323	2.4
264.26868	0.9
267.15900	0.5
270.05273	0.5
271.05869	0.4
280.26346	19.2
281.13257	0.4
281.26804	0.8
285.17023	0.4
298.27402	34.7
299.27945	0.5
316.28458	46.4
317.28717	1.5
340.28409	1.5
358.29523	1.3
395.93027	0.5
460.32574	2.3
478.33752	100.0
479.34174	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2929
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.05512	11.8
57.03435	2.8
57.07063	1.6
58.16079	1.1
62.06096	17.2
65.03949	1.4
67.05508	23.6
68.05827	1.0
69.07065	12.7
69.59650	2.1
69.60058	7.6
71.04989	1.7
79.05495	8.9
81.03409	1.7
81.07063	25.6
82.07399	1.2
83.04999	1.7
83.08635	5.7
85.05265	1.3
86.06086	1.4
91.05480	6.2
93.07040	7.9
95.05027	2.5
95.08609	17.9
96.08946	1.2
97.06573	1.6
97.10169	3.1
98.06063	8.4
98.98467	4.2
105.07014	5.2
107.08588	5.9
109.10137	6.4
117.07030	1.9
119.08584	3.8
121.10120	3.1
123.11697	2.6
125.09615	1.5
131.08556	2.4
133.10107	2.6
135.11688	2.1
142.02730	1.2
145.10048	2.0
147.11646	1.6
149.13254	2.3
152.04211	1.1
155.01019	2.6
168.65843	1.1
173.02136	1.9
193.12093	1.2
216.06429	2.7
245.22717	1.7
263.23691	3.2
288.58179	1.1
306.27908	100.0
307.28323	2.8
337.27374	52.4
368.23044	2.1
386.23938	2.0
460.28180	6.3
478.28751	5.9
478.35040	1.3
479.29782	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	478.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02797	0.4
53.03944	0.5
55.01871	0.8
55.05516	10.1
57.03439	2.9
57.07075	1.0
62.06070	1.4
65.03935	1.0
67.05507	17.9
68.05827	0.7
69.03427	0.5
69.07071	13.5
71.04987	0.7
71.08596	0.6
79.05110	0.6
79.05496	5.8
81.03423	1.4
81.07055	18.2
83.05019	0.6
83.08618	5.1
85.05289	1.1
91.05492	3.4
93.07037	5.3
95.04948	0.9
95.08057	0.8
95.08611	12.0
97.02899	0.5
97.06541	1.3
97.10184	2.4
98.06053	8.5
98.86685	0.5
98.98471	0.7
105.07023	2.0
107.08600	3.2
109.10157	4.4
111.08076	0.9
111.79526	0.5
112.07612	0.8
119.08573	1.6
121.10131	2.3
121.32946	0.5
123.11693	1.2
131.08560	0.7
133.10141	2.1
135.11681	0.6
147.11671	1.2
154.12245	0.5
169.77040	0.5
170.90057	0.6
175.14604	0.5
188.18204	0.5
193.45937	0.6
196.16956	0.6
208.16917	1.0
223.97966	0.5
229.51219	0.6
292.30731	0.5
306.27908	100.0
307.28232	2.8
337.27371	40.6
338.27664	1.8
357.04153	0.5
386.24203	0.8
395.42316	0.5
460.27533	1.0
478.28647	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	478.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.9
53.03939	3.0
53.67439	0.8
54.45847	0.8
55.01866	2.8
55.05510	10.8
56.05833	1.2
56.96564	1.2
57.03439	1.8
57.07086	1.2
58.11588	0.7
58.22232	0.8
60.40773	0.8
61.02917	1.0
67.05505	9.6
68.05833	0.8
69.03433	6.4
69.07069	9.8
70.20155	0.8
70.20463	4.5
71.04988	3.4
73.02895	2.2
79.05492	8.9
79.17116	0.7
80.05849	1.2
81.03418	11.0
81.07059	15.3
82.07391	1.0
83.08618	11.4
85.02905	17.8
85.06538	1.1
87.00832	7.4
87.04472	1.5
91.05475	7.3
92.05814	1.3
93.07043	18.6
94.07356	1.2
95.04971	3.2
95.08610	36.6
97.02891	9.4
97.06552	1.9
97.10156	7.1
98.10493	1.4
99.04464	3.5
105.01859	12.3
105.07019	8.1
107.04951	3.1
107.08591	40.0
108.08891	1.2
109.02866	7.2
109.06500	1.9
109.10150	11.0
111.08038	1.3
112.95525	0.8
117.06985	1.1
119.08595	3.3
120.08910	1.2
121.06519	3.1
121.10142	66.4
122.06819	1.2
123.08050	1.8
123.11701	5.2
125.09628	2.9
127.03909	11.8
129.07002	1.8
131.08539	2.0
133.06499	1.0
133.10139	1.7
135.08026	1.5
135.11696	16.0
137.09650	1.9
137.13248	3.7
137.66003	1.0
139.11168	1.0
143.08488	1.0
145.04945	5.6
145.06485	0.9
145.10100	1.4
147.02905	0.9
147.08029	1.0
147.11661	1.7
149.09631	0.9
149.13264	5.6
151.07579	4.3
159.02888	2.3
159.89348	1.2
161.09618	1.4
163.07411	0.9
165.09128	1.6
166.76886	1.0
175.11136	1.0
176.11572	1.0
176.57855	0.8
177.16388	100.0
189.04045	0.9
189.11188	1.6
193.12276	1.5
194.12701	1.3
194.61900	0.9
194.97404	1.2
195.17461	9.8
227.12640	1.3
231.05077	2.4
234.15688	1.1
236.34033	1.0
249.06091	2.1
268.16159	2.5
274.15182	1.0
280.26337	1.0
298.27335	2.2
316.28409	2.3
350.21863	1.1
358.24512	1.1
368.23032	2.9
372.66589	0.9
386.24106	6.5
404.25198	2.4
434.25821	1.3
460.27533	12.6
478.28137	6.8
478.33954	3.3
487.40271	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	478.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69631	0.8
57.70506	0.7
58.99590	0.9
67.04253	4.5
69.03422	1.3
70.53886	1.5
70.54266	1.5
85.02910	2.8
86.00604	1.3
97.02888	2.0
100.02204	100.0
102.05547	1.1
114.05534	1.7
115.65471	0.8
127.03902	1.1
130.05008	1.7
132.01163	0.9
145.95113	0.8
157.04323	3.2
158.02724	3.3
175.05397	2.5
203.04857	70.6
213.06956	10.0
235.41704	0.7
237.02834	1.1
255.07901	1.0
276.10992	1.2
316.09604	15.6
316.12918	1.3
375.12238	2.9
478.14886	15.1
491.92618	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	478.1922
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07130	0.8
53.03933	2.2
55.01862	1.0
55.05507	3.9
55.28343	1.0
56.05032	1.7
56.96570	1.5
57.03442	4.9
58.06581	1.7
61.02929	5.5
67.05228	1.0
67.05505	11.4
69.03438	11.7
69.07059	4.0
70.06243	1.4
70.06592	16.3
71.04993	12.8
71.33164	0.9
71.58509	1.4
72.08147	2.3
73.02901	4.2
74.06071	1.0
75.04468	1.0
79.05489	4.8
80.05009	1.1
81.03399	3.3
81.07056	13.0
82.06570	1.7
83.04983	1.8
83.08608	1.8
84.04500	1.8
84.08144	3.5
84.25788	0.9
85.02909	35.6
85.06544	1.5
86.09705	4.0
87.04472	4.5
88.74616	0.8
89.06013	1.7
91.05498	4.8
93.07063	5.3
94.06564	1.2
95.04937	2.6
95.08615	10.8
96.08105	3.7
96.61989	0.9
97.02888	9.3
98.09698	4.2
98.97599	1.5
99.04456	2.0
100.13698	0.8
105.07048	2.6
107.04921	1.2
107.08617	5.3
108.08065	1.1
109.02895	3.6
109.10166	4.0
110.07156	1.1
110.09668	1.1
114.09155	2.9
116.98658	1.1
119.04985	1.1
119.08562	2.3
120.08102	3.4
121.02893	1.5
121.10139	3.5
122.09641	1.2
123.08030	1.2
127.03913	6.3
129.05487	5.7
133.08635	2.1
133.10129	1.4
135.11737	1.3
138.12758	1.5
144.06670	1.0
145.04880	2.6
147.06573	2.1
151.11195	1.1
153.05418	1.1
153.09169	1.0
200.12840	1.5
220.20728	0.9
236.23750	7.8
237.03012	1.2
238.21655	2.6
243.08684	0.9
254.24792	3.9
262.25278	16.9
280.23291	1.8
280.26337	38.3
293.35791	0.9
298.20410	1.6
298.23782	7.6
298.27350	41.2
303.05035	1.3
316.24820	12.1
316.28455	45.4
327.10455	0.9
460.32535	1.3
478.34238	100.0
500.62646	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	478.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
57.10039	0.4
57.58172	0.4
59.25857	0.5
61.02941	0.5
67.04249	4.5
69.03427	1.2
70.39980	1.7
73.01111	0.6
74.00663	3.4
85.02903	2.6
86.00646	0.6
86.06086	0.6
88.11259	1.3
89.61758	0.4
96.04480	0.6
97.02888	1.6
100.02200	100.0
102.05534	1.2
114.05499	2.5
120.17229	0.4
122.79936	0.4
123.04473	0.4
123.66656	0.4
127.03927	0.6
128.01549	0.4
130.05013	1.4
132.01149	1.2
138.05455	0.5
145.04941	0.7
154.83362	0.5
157.04318	3.4
158.02718	3.7
175.05408	2.7
180.06517	0.9
185.03773	0.6
203.04849	86.3
204.05057	0.8
213.06934	23.6
245.68507	0.5
255.07892	0.8
276.10663	1.1
316.09622	21.1
351.08960	0.5
375.12067	1.8
478.14865	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	11.9
55.05514	55.2
57.03439	12.0
57.07069	3.1
59.05002	2.1
65.03927	2.2
67.05507	51.0
67.72110	1.8
68.12701	1.7
69.03432	7.7
69.07069	16.3
70.20151	6.8
70.20518	3.1
71.04992	5.6
79.05495	54.4
81.03419	33.9
81.07059	54.3
83.04964	13.8
83.08624	27.6
85.02898	4.1
85.06530	2.2
89.31323	1.8
91.05478	35.2
93.07048	34.2
95.04973	29.2
95.08604	21.0
97.02906	2.7
97.06539	7.8
97.10170	52.8
98.20773	2.6
100.00870	1.8
103.05482	2.2
105.07039	28.2
107.04958	30.5
107.08601	33.3
109.02871	1.7
109.06528	10.2
109.10147	14.6
111.04469	2.2
111.08095	7.1
115.05480	3.6
117.07031	18.6
118.71299	1.6
119.04974	2.5
119.08588	17.8
121.06506	24.5
121.10139	14.0
123.04420	2.8
123.08067	10.5
123.11737	3.2
125.09633	41.0
128.06213	2.5
129.07014	14.1
131.04921	5.8
131.08586	16.0
133.06490	10.8
133.10130	12.1
135.08070	9.5
135.11745	6.3
137.09596	3.0
141.06984	3.6
142.07829	3.4
143.08592	6.4
144.05742	2.1
145.06482	20.1
145.10121	12.1
147.04405	2.4
147.08044	11.3
147.11758	7.9
149.06029	3.4
149.09625	6.0
149.13271	3.5
153.09071	8.5
153.12735	3.4
155.08574	5.1
157.06499	5.0
157.10100	9.3
159.08076	6.5
159.11700	6.0
161.09634	4.9
163.07520	2.3
163.11195	6.0
167.08588	2.7
169.10127	5.3
171.08112	5.7
171.10323	3.4
171.11742	6.1
173.09648	4.6
175.11206	7.1
177.12752	3.8
181.10088	2.5
183.11691	2.8
185.09682	4.3
187.11198	4.1
187.14914	4.4
189.11250	21.6
189.12758	4.0
193.10527	3.0
193.12242	19.1
195.11757	3.7
195.13799	2.0
197.13347	4.2
199.11186	6.8
203.10709	1.7
205.12244	3.7
209.09644	1.5
209.13318	1.9
211.11484	2.0
211.13321	7.1
213.12794	4.7
215.14349	5.1
217.12263	2.6
223.11227	3.1
223.13240	2.6
225.12848	2.6
227.12631	17.1
227.14508	1.7
229.12416	2.1
231.13826	4.7
233.15329	16.6
235.13261	3.3
237.12720	5.2
237.14958	1.9
239.14301	2.6
241.14340	4.0
243.13811	2.0
245.15488	4.2
249.14873	4.3
255.13849	3.8
255.45306	1.5
257.15399	1.7
259.13281	2.3
261.14957	2.6
267.15897	24.5
270.32764	1.6
273.14896	17.1
274.49490	1.6
281.15396	1.9
289.17972	3.3
291.15961	5.3
331.20508	2.5
339.23203	8.3
341.21014	3.5
349.21674	19.7
357.24374	10.8
367.22662	54.9
368.23221	1.8
385.23764	100.0
386.24313	1.9
403.24780	30.1
404.25024	2.1
405.24008	2.1
423.25339	2.4
433.25784	4.7
441.26297	11.1
459.27408	95.5
460.27960	3.0
477.28510	79.1
478.28854	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	477.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	3.7
55.01868	12.3
55.05514	42.8
57.03192	1.3
57.03443	12.1
65.03931	3.4
67.05505	44.2
69.03406	6.7
69.07066	16.2
70.20657	6.8
71.04970	6.3
79.05492	42.5
81.03419	54.3
81.07061	40.0
83.04985	9.4
83.08615	30.3
85.02901	2.4
85.06519	2.2
91.05477	47.6
93.07050	27.9
94.63617	1.3
95.04961	26.0
95.08604	17.4
97.02892	2.5
97.06510	6.0
97.10172	34.9
98.12344	1.6
101.06013	1.8
105.07032	26.7
107.04956	25.7
107.07967	2.2
107.08596	21.9
109.06554	8.1
109.10156	12.8
111.04385	2.5
111.08088	7.6
112.84745	1.6
115.05416	2.3
117.07005	15.1
119.04930	2.8
119.08593	17.3
121.06520	24.7
121.10118	8.7
123.08085	7.1
123.11666	2.0
125.05965	1.6
125.08791	1.5
125.09626	29.5
128.06169	1.7
129.07013	13.6
131.04912	4.2
131.08574	16.8
132.73906	1.4
133.06511	7.3
133.10110	11.6
135.08041	9.2
135.11656	4.1
136.43585	1.7
137.05916	2.2
137.09589	2.5
141.06944	4.9
142.07785	2.5
143.08572	8.6
145.06479	13.7
145.10156	10.6
147.04338	2.0
147.08031	9.1
147.11656	10.8
149.09624	7.2
153.09085	5.3
155.08499	4.9
156.09364	1.7
157.06415	3.1
157.10149	12.6
159.08029	5.1
159.11668	3.4
161.05972	3.1
161.09589	3.5
163.11198	3.9
169.10072	5.2
171.08051	4.8
171.11633	5.2
173.09645	3.7
173.13246	2.0
175.11205	10.3
181.10027	2.6
181.12378	1.6
183.11682	1.8
185.09634	3.7
185.13332	2.1
187.11169	2.0
187.13225	2.2
187.14766	2.9
189.09460	2.5
189.11171	19.1
189.12779	3.7
193.12256	28.1
195.11574	3.0
197.09523	1.7
197.13187	3.7
199.11099	4.3
199.14784	2.5
203.14226	1.9
207.11624	2.0
211.11314	1.6
211.13176	7.0
213.12680	3.8
215.14235	4.8
217.12207	4.7
225.12801	2.1
227.12688	19.8
231.13913	3.7
233.15364	14.3
235.13167	2.9
241.14337	3.4
243.15941	2.2
245.15315	3.8
249.14799	4.7
255.13719	3.5
267.15945	40.4
273.14865	12.5
275.16373	2.1
287.16525	1.9
291.15799	3.1
331.20020	2.1
339.23184	5.3
341.20804	2.7
349.21597	13.8
357.24030	6.4
367.22699	32.3
369.81863	1.6
385.23737	53.9
386.24036	3.1
403.24893	18.2
415.24686	3.4
431.27481	2.3
433.25626	8.2
441.26224	4.4
459.27386	100.0
460.27640	5.1
477.28244	63.2
478.28671	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	477.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57909	1.6
52.66382	1.7
53.03943	5.1
55.01881	11.5
55.05261	3.1
55.05512	43.5
56.21322	1.6
57.03447	12.1
58.67437	1.5
61.01617	2.0
65.03934	3.6
67.05170	3.2
67.05509	47.2
67.67395	2.0
69.03426	7.7
69.07079	14.8
69.53642	2.2
69.54038	14.5
71.04995	3.6
71.39864	1.6
79.05497	47.7
81.03424	48.9
81.07066	37.6
83.05004	9.4
83.08624	24.5
85.02888	2.4
85.06544	2.8
86.06068	2.9
91.05482	37.4
93.07050	32.4
95.04977	28.3
95.08611	24.2
97.06537	7.4
97.10169	34.8
98.20754	3.6
103.05491	2.1
105.07032	25.9
107.04956	27.9
107.08601	24.1
109.06525	9.1
109.10161	16.1
111.04446	2.0
111.08086	9.3
115.05471	3.3
116.06237	2.0
116.10744	5.8
117.07015	12.1
119.04938	2.5
119.08601	21.0
121.06513	30.5
121.09393	1.8
121.10113	8.7
123.04385	2.2
123.08063	8.7
123.11743	2.7
125.09630	25.9
128.06242	3.0
129.07030	15.3
131.04961	3.9
131.08582	19.5
133.06500	9.7
133.10167	13.3
135.08099	12.6
135.11725	3.0
137.05991	3.3
137.09639	3.0
141.07037	3.1
142.07788	3.2
143.08559	8.4
145.06499	15.5
145.07585	2.5
145.10147	11.3
147.04425	3.6
147.08075	11.1
147.11687	9.6
149.09627	5.3
151.07513	2.9
153.09128	7.0
153.12750	1.8
155.08627	3.6
157.06509	4.1
157.10135	10.2
159.08057	5.4
159.11705	3.9
161.06021	4.9
161.09596	4.4
161.13252	2.5
163.11229	6.8
167.08585	3.5
169.10184	6.1
171.08052	3.6
171.11760	5.9
173.09665	5.7
175.11168	9.1
177.12875	3.7
179.08673	2.3
183.11734	3.8
185.09773	2.2
185.13338	3.2
187.11230	2.1
187.14886	3.5
189.11253	13.7
189.12747	4.0
193.12247	26.9
195.11732	4.4
197.09630	3.6
197.13268	3.0
198.54149	1.6
201.12788	2.1
205.12291	5.2
205.15894	2.8
211.11171	2.5
211.13287	3.3
213.12762	3.4
215.14359	6.2
217.12369	2.9
223.13239	3.4
227.12752	26.7
227.14571	2.7
231.13821	3.5
233.15382	21.5
234.15820	2.2
237.12775	2.3
241.14433	3.3
245.15373	3.4
246.27313	1.7
247.13350	2.7
249.14896	4.9
255.13945	2.1
257.15561	3.5
267.15930	42.8
271.17047	3.2
273.14902	11.4
275.16525	3.5
287.16422	3.4
315.08627	2.8
316.21271	7.9
323.20038	3.2
329.24783	1.7
339.23340	6.4
341.21240	5.5
349.21759	9.7
357.24265	9.7
367.22739	38.5
375.25510	2.9
385.23779	61.0
403.24823	24.9
415.24734	4.9
431.27640	2.8
433.25809	21.2
441.26639	7.0
459.27472	100.0
460.27716	5.7
477.28503	67.4
478.26849	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	477.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	10.6
55.05264	2.9
55.05514	44.4
57.03443	7.9
62.66154	1.7
65.03944	2.1
67.05164	3.1
67.05504	37.0
69.03438	9.1
69.07074	11.4
70.86306	5.7
71.04995	2.7
79.05494	41.2
81.03430	22.2
81.07055	36.0
81.42119	1.7
83.04978	6.0
83.08614	24.5
85.06561	2.7
91.05486	25.6
91.07082	1.7
93.07040	24.4
95.04974	20.1
95.08610	17.9
97.06547	5.5
97.10171	41.6
97.10773	2.9
98.20406	1.8
105.07026	19.4
107.04956	29.6
107.08595	27.6
109.06513	9.3
109.10156	10.9
111.08078	5.1
115.05499	2.4
117.07008	13.3
119.05023	2.9
119.08582	15.7
121.06499	23.9
121.10164	6.8
123.08051	8.9
125.09627	33.7
128.06241	3.1
129.07011	10.3
131.04930	6.1
131.08614	12.2
133.06506	9.0
133.10133	6.6
135.08049	11.6
135.11725	2.8
137.09650	2.1
141.06998	3.4
143.08554	9.6
145.06459	18.7
145.10139	7.9
147.04430	4.7
147.08066	7.9
147.11646	8.6
149.09616	6.6
151.07594	2.1
153.09125	7.0
153.12762	2.9
155.08554	2.4
157.06523	4.2
157.10112	9.1
159.08061	5.8
159.11691	4.5
161.09686	3.9
163.07510	2.1
163.11183	7.1
165.06947	1.8
165.12714	2.7
167.08534	2.5
169.10150	5.1
171.08102	2.9
171.11717	7.0
173.09648	4.3
175.07439	2.5
175.11174	4.4
177.12747	3.2
181.10207	2.1
183.11685	2.4
185.09709	2.9
185.13327	3.3
187.11166	3.8
187.14798	2.2
189.09334	2.8
189.11246	26.2
189.12808	4.9
193.12230	15.1
195.11819	1.9
197.09653	3.0
197.13327	2.2
199.11220	5.9
200.12032	2.0
201.12666	2.9
209.13330	2.2
211.11177	2.7
211.13193	4.1
213.12886	3.1
215.14290	4.9
217.12299	5.0
225.12738	2.5
227.12695	13.2
231.13815	5.3
233.15355	15.1
235.13310	2.5
237.12737	3.0
239.14357	3.2
241.14317	4.1
245.15536	3.7
249.14888	2.7
255.13805	3.5
259.13535	4.2
267.15915	14.3
271.16953	3.5
273.14957	17.2
275.16525	2.8
291.16058	4.6
339.23181	4.9
341.21185	3.0
349.21689	16.5
357.24255	8.3
363.29581	1.8
367.22684	51.0
368.23111	2.3
385.23746	88.3
386.24240	3.4
403.24786	23.0
405.23941	3.7
423.25385	2.1
433.25891	5.8
441.26358	7.8
459.27405	100.0
460.27753	4.9
477.28479	65.7
478.28729	2.8
486.15033	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	477.2846
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
53.03929	5.2
54.11937	1.8
55.01872	12.1
55.05513	36.8
55.99112	2.0
57.03431	9.8
57.07101	1.7
63.98800	1.9
65.03891	1.7
67.05497	37.7
69.03413	6.5
69.07073	15.6
69.36249	19.4
69.36585	3.8
71.04979	5.1
78.38438	1.7
79.05488	47.8
81.02973	3.2
81.03417	41.3
81.07059	36.1
83.04962	8.0
83.08616	21.7
87.70862	1.9
91.05476	37.7
93.07041	25.9
95.04964	24.2
95.08604	15.8
97.06518	6.2
97.10167	34.9
98.21461	3.4
103.05476	1.9
105.07023	24.8
107.04945	26.6
107.08582	23.1
109.06511	8.8
109.10170	9.0
111.08066	4.0
117.07005	13.4
119.04968	2.2
119.08565	14.0
121.06499	31.9
121.10122	6.5
123.08061	7.2
125.09624	21.6
129.07004	12.7
131.04916	2.9
131.08549	18.1
133.06479	10.1
133.10103	9.3
135.08055	9.8
135.11717	2.3
137.09512	2.1
141.06992	3.4
142.07776	2.3
143.08539	7.2
145.06477	18.4
145.10109	8.7
147.04384	2.2
147.08052	6.2
147.11649	7.6
149.09602	6.2
153.09093	8.2
155.08562	6.2
157.06519	3.5
157.10135	7.1
159.07997	4.4
159.11697	5.9
161.05928	2.0
161.09576	4.6
163.11201	2.0
165.12807	2.4
167.08554	2.6
169.10110	2.8
171.11713	4.5
173.09608	3.8
173.13202	2.5
175.11147	7.1
179.08565	1.7
181.10158	2.7
185.09618	2.5
185.13264	2.9
187.11172	5.3
187.14778	2.5
189.11224	13.7
189.12726	2.6
193.12234	19.8
195.11768	2.6
197.09505	2.7
197.13269	2.1
201.12625	2.1
205.15599	1.9
211.11278	2.0
211.13214	3.4
213.12755	4.0
215.14337	2.7
225.12714	2.9
227.12709	23.3
231.13814	3.2
233.15376	16.7
237.12694	2.4
241.14371	2.4
249.14931	3.1
255.13843	2.8
257.15399	2.1
267.13022	2.0
267.15912	39.0
273.14880	10.2
321.22052	2.2
323.19986	3.0
339.23083	7.1
341.21109	4.3
341.86273	1.9
349.21765	10.6
357.24109	7.6
367.22623	32.8
385.23734	56.5
403.24777	25.5
415.24896	2.6
433.25827	17.8
441.26196	8.0
459.27380	100.0
460.27609	4.1
477.28458	58.9
478.28717	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	477.2851
Annotation	Lucidenic acid G
Peak:m/z	Relative Intensity
55.01878	12.7
55.05513	58.9
57.03436	11.7
59.05006	2.9
65.03934	2.7
65.39538	2.4
67.05514	46.5
69.03428	9.7
69.07066	14.4
70.09653	13.9
71.05006	3.5
79.05498	65.9
81.03430	42.4
81.07058	46.8
83.04980	12.5
83.08624	34.0
85.06528	3.5
91.05489	37.8
93.07050	34.0
95.04975	31.9
95.08615	24.8
97.06543	8.5
97.10174	49.4
99.08111	2.9
105.07042	30.6
107.04967	31.7
107.08605	37.0
109.06531	12.5
109.10149	18.8
111.08082	5.3
115.05455	3.3
117.07030	19.2
119.04945	4.7
119.08578	20.5
121.06522	35.9
121.10155	13.6
123.04421	4.2
123.08065	12.1
123.11712	4.0
125.09637	35.3
129.07007	21.9
131.04912	4.5
131.08589	18.3
133.06497	12.2
133.10132	13.6
135.08070	9.1
135.11732	6.8
136.32434	3.0
137.06004	4.1
137.09673	2.5
141.07019	4.7
142.07835	2.8
143.08582	9.8
143.10539	2.5
145.06505	18.9
145.10114	14.6
147.04431	4.8
147.08040	11.7
147.11691	7.4
149.09612	7.1
151.07607	5.5
153.09097	5.9
155.08553	5.3
157.06540	4.3
157.10144	10.3
158.72449	2.5
159.08083	5.2
159.11687	6.2
161.09564	6.1
163.11159	6.9
167.08589	3.7
169.10159	4.9
171.07985	4.3
171.11710	6.8
173.09613	3.7
175.11230	7.3
177.12778	3.0
185.09654	4.2
185.13274	3.9
187.11255	3.5
187.14900	3.3
189.09464	4.3
189.11240	24.0
189.12820	6.4
193.12306	19.8
194.91821	2.8
195.11711	6.9
197.13309	5.1
199.11188	7.7
205.12137	4.9
209.09692	2.5
209.13216	4.1
211.11180	4.3
211.13234	7.6
213.12820	4.2
215.14331	6.2
217.12207	4.4
225.12686	3.7
227.12801	18.5
231.13821	3.0
233.15413	16.6
235.13307	2.6
237.12706	4.0
241.14308	4.2
245.15469	4.5
255.13791	4.4
267.15930	26.3
273.14877	14.5
282.46173	2.8
339.23138	8.0
341.21115	3.9
349.21661	17.4
357.24377	8.1
367.22699	48.4
385.23740	79.4
403.24857	30.4
405.24265	4.1
433.25485	13.2
441.26288	15.2
459.27396	100.0
460.27579	6.5
477.28494	68.9
478.28494	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	477.1028
Annotation	Kaempferide 3-glucuronide
Peak:m/z	Relative Intensity
55.01852	0.3
55.05511	1.5
56.05018	0.4
57.03400	0.9
57.07046	0.3
61.02893	1.0
62.42976	0.2
65.03912	0.3
67.05183	0.3
67.05502	3.8
68.05023	0.3
68.05835	0.4
69.03426	3.8
69.07057	1.4
70.03730	0.3
70.06550	0.7
70.65590	0.8
71.04948	0.7
71.08602	0.2
72.04414	0.3
73.02890	0.9
79.05453	0.7
80.04985	0.9
81.03385	1.0
81.07037	1.6
82.06544	0.9
83.08580	0.6
84.08123	0.6
85.02896	6.0
86.03214	0.4
86.09681	0.5
87.04428	0.9
91.03957	0.3
91.05459	0.5
93.07017	1.1
94.06532	1.0
95.08594	1.5
96.08099	0.9
97.02873	1.9
99.04462	0.5
103.03933	0.4
106.06518	0.6
107.08560	0.5
108.08096	0.7
109.02844	0.8
109.10126	0.4
110.09674	0.5
112.07599	0.5
120.08078	0.5
122.09656	0.4
124.11224	0.4
127.03873	1.2
134.09666	0.2
138.09088	0.9
138.12759	0.4
153.01860	0.3
156.10216	0.8
160.07535	0.3
184.80467	0.3
208.20540	0.3
222.22084	0.3
229.04868	0.4
234.22160	0.3
246.22223	0.8
248.23647	0.7
250.25323	1.3
251.25645	0.5
258.05240	10.8
260.23676	1.3
261.24139	0.5
278.24771	4.5
279.25183	2.6
286.04703	31.6
287.04926	0.3
296.25833	16.6
297.26181	8.1
301.07050	100.0
302.07321	1.5
314.26874	28.2
315.27216	13.9
319.16452	0.3
356.27924	0.3
447.06345	0.2
476.32172	32.0
477.10291	5.3
477.32501	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	476.3218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.6
55.01854	0.8
55.05503	1.5
57.03428	1.7
59.64446	0.3
61.02923	2.2
63.85270	0.3
63.87786	0.3
67.05499	1.8
68.05009	0.8
68.99762	0.6
69.03430	5.4
69.07061	2.0
70.06594	2.2
70.96400	0.8
71.01321	0.6
71.04960	1.2
73.02924	2.1
79.05466	1.5
80.04980	0.5
81.03418	2.2
81.07059	2.0
82.06548	1.1
83.08595	0.6
84.08121	0.3
84.44570	0.3
85.02905	12.0
87.00793	1.0
87.04434	1.3
91.03932	0.5
91.05435	1.3
93.07031	2.1
94.06556	1.9
95.04922	0.4
95.08590	1.2
96.08121	4.0
97.02880	3.9
97.70319	0.3
98.09670	0.4
99.04408	0.9
101.02351	0.7
103.03913	0.7
105.01826	0.4
105.06986	0.9
107.04943	2.7
107.07352	0.4
107.08570	0.7
108.08126	2.1
109.02876	2.2
109.08884	0.9
109.10125	0.5
110.09640	1.5
110.47414	0.3
115.03898	0.4
119.04913	1.0
120.08054	0.7
121.06376	0.4
121.10071	0.5
122.09625	1.2
123.10365	0.5
125.80988	0.4
127.03911	3.4
127.09904	0.5
129.01813	0.4
131.04929	0.9
133.10101	0.4
135.04375	0.9
140.10669	0.7
145.04947	1.0
147.02870	0.6
147.11546	0.3
159.02904	0.4
163.03818	0.4
165.05484	0.3
165.06947	0.6
167.99319	0.7
172.80893	0.3
173.68832	0.3
179.08470	0.4
207.51672	0.3
223.75311	0.3
225.09109	0.6
229.08588	2.5
234.22275	0.8
239.07086	0.4
241.08540	1.2
241.10861	0.4
252.23293	0.9
253.08626	2.3
260.23605	2.4
265.08575	0.6
271.09769	1.9
271.12170	0.4
276.23154	1.9
278.24783	17.9
280.26480	0.6
295.09613	0.8
296.22400	0.7
296.25830	20.5
314.26877	63.6
315.05087	0.4
315.27164	0.9
319.09509	0.6
337.10690	0.9
338.26740	0.4
345.15659	0.5
356.27969	1.9
458.31177	0.6
476.32190	100.0
477.32224	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	476.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.6
55.01869	1.7
55.05516	11.4
56.96589	1.9
57.03431	6.6
57.07071	1.6
62.06089	32.3
65.03944	2.5
67.05172	2.2
67.05510	31.0
68.05856	1.9
69.03432	2.0
69.07076	8.8
70.20277	2.7
70.20678	6.4
71.04997	1.8
79.05496	20.3
81.03433	4.9
81.07060	27.1
82.07422	1.9
83.08613	3.5
85.06560	2.5
91.05489	14.4
93.07047	24.2
93.87597	1.5
93.89756	1.6
95.04956	4.7
95.08611	23.7
97.06553	2.4
97.10155	2.1
98.06107	1.7
98.98452	9.1
105.07037	7.6
107.04975	3.6
107.08598	12.9
109.06503	1.9
109.10133	8.2
117.07043	2.8
119.08600	7.8
121.06544	2.4
121.10125	8.2
131.08583	5.0
133.10149	5.8
135.11694	6.9
145.10132	3.0
147.08043	1.8
147.11678	3.6
149.13275	3.1
155.01062	2.9
159.11734	2.3
163.11234	3.3
173.02153	1.7
175.11079	2.2
198.05313	2.8
216.06383	2.6
227.12769	2.5
243.21135	3.9
261.22189	6.7
304.26331	17.1
311.71396	1.6
317.24774	1.9
335.25806	100.0
336.25876	1.8
338.42938	1.8
356.31973	1.6
384.22949	2.0
458.26617	15.3
472.63269	1.9
476.26941	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2772
Annotation	Ulipristal acetate
Peak:m/z	Relative Intensity
55.01868	6.6
55.05510	17.8
57.03444	4.1
62.90218	2.6
67.05501	28.0
68.05814	4.7
68.40399	2.6
69.03439	3.1
69.07063	11.9
71.29939	6.7
71.30293	3.8
73.31229	2.5
75.08900	2.6
79.05493	29.2
80.05819	6.2
81.03416	16.2
81.07057	25.7
82.03744	4.2
82.07373	3.4
83.04982	11.7
83.08641	8.8
85.02874	3.3
91.05473	22.9
92.05828	6.7
93.07048	20.5
94.07375	3.0
95.04964	10.1
95.08620	19.6
96.08974	2.9
97.06519	4.5
97.10162	6.8
98.06075	8.5
105.07040	10.8
106.07371	3.0
107.04947	9.5
107.08593	11.8
108.08893	3.5
109.10146	6.2
111.04488	3.5
117.07002	3.4
119.08569	7.6
121.06489	7.2
121.10153	5.0
123.08073	3.8
124.08283	3.1
125.05810	2.5
125.09651	2.7
129.06985	7.2
129.37776	2.7
131.08606	6.3
133.10129	8.7
134.10449	3.4
135.11703	5.0
136.11986	3.2
145.10083	3.8
147.11684	5.4
148.12088	3.1
153.12746	4.4
157.10188	4.3
163.11115	4.3
164.11549	4.8
164.82585	2.9
175.11192	5.4
181.12173	4.7
193.12285	5.1
194.12570	2.8
225.65372	2.8
227.12785	3.8
232.14577	7.2
280.22675	2.8
281.10831	3.4
304.26367	100.0
322.11615	6.1
335.25653	5.4
364.14453	4.8
384.22226	4.3
408.48633	3.3
458.26376	13.7
476.27194	61.1
477.28281	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	476.249
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	1.3
55.01873	1.1
55.05503	2.6
57.07054	1.2
60.04528	1.1
61.02921	2.3
67.05485	3.9
68.05007	0.9
69.03419	4.9
69.07067	6.3
71.04977	1.3
71.11404	1.8
73.02891	1.5
76.39095	0.7
79.05493	2.5
81.03408	3.7
81.07050	3.4
82.06609	0.9
83.08616	2.0
85.02900	12.5
87.00816	3.4
87.04468	1.2
91.05476	2.9
91.23138	0.9
91.36676	0.8
93.07034	3.1
94.06567	1.1
95.08614	4.6
96.08083	1.5
97.02884	4.8
99.04449	2.3
103.03973	0.9
105.01845	2.2
105.07041	5.6
107.08585	3.9
109.02849	4.0
109.10167	1.4
112.07584	1.3
114.64294	0.8
116.10701	0.8
119.08578	25.4
121.10134	3.2
127.03922	5.2
130.08670	2.1
133.10124	22.4
135.11702	1.8
145.04990	2.8
147.11685	3.1
153.51840	0.9
154.08676	1.1
160.12463	0.9
173.13193	1.3
175.14818	100.0
176.15184	1.4
177.16357	1.7
193.15865	4.3
198.11263	2.9
216.12369	1.6
234.22197	2.6
238.72279	1.0
252.23329	1.8
278.24814	5.0
286.04785	1.2
296.25851	15.8
301.07114	2.6
314.26849	20.1
458.31058	2.0
476.32199	38.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.8
55.01891	3.8
55.05509	4.5
56.96578	3.2
57.03441	4.1
58.06606	2.4
60.04529	6.0
61.02935	5.7
66.15828	1.7
67.05509	7.2
69.03433	11.1
69.07052	3.3
70.04770	8.1
70.06594	12.0
71.04991	25.8
72.08157	6.6
73.02916	5.4
74.06068	4.5
79.05508	7.6
81.03445	6.7
81.07073	7.8
82.78406	2.0
83.05010	2.8
84.04515	4.0
85.02908	49.5
86.09703	15.7
87.04503	3.8
87.10040	2.8
91.05478	18.5
91.05909	1.8
93.07068	6.3
94.06591	5.1
95.04992	4.9
95.08623	5.1
96.08147	6.6
97.02917	11.0
98.97612	2.4
99.04472	2.1
102.81113	2.0
103.05481	2.1
105.07024	9.9
106.06586	2.5
106.80492	1.6
107.04967	14.5
107.08622	3.3
108.08143	4.2
109.02893	2.9
109.06530	4.5
109.10212	2.3
110.09715	2.8
111.04462	2.8
112.37287	2.1
115.05582	1.6
117.05814	2.4
119.08631	5.1
120.08105	12.5
121.06477	2.8
122.09729	6.1
123.08175	2.0
124.07592	31.8
124.41759	1.8
127.03944	5.5
129.05469	9.3
132.08089	29.9
133.06505	37.7
133.07448	3.1
133.10187	6.3
136.07614	2.9
137.55641	2.0
138.09189	3.1
141.56004	2.4
145.04985	4.8
147.06604	2.0
147.41632	2.4
150.09140	33.3
151.07544	4.5
165.09187	3.5
166.08690	4.4
173.13039	2.1
175.14845	10.4
215.14052	2.3
233.83281	2.0
234.11357	6.1
234.22348	2.4
238.10756	2.0
250.21916	2.5
260.23837	8.9
278.24823	20.4
288.11719	1.7
293.79153	1.7
296.25809	30.1
296.28906	2.0
302.86731	2.1
308.06696	2.4
312.14532	12.2
314.07385	3.2
314.23453	2.7
314.26855	32.8
330.15689	5.3
338.07550	5.4
411.15436	1.9
476.11578	2.3
476.21860	16.6
476.32501	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	476.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73267	0.2
53.03941	0.4
57.03429	1.3
58.21592	0.2
61.02902	0.4
67.05508	0.5
69.03431	1.4
69.07069	0.4
70.06585	0.5
70.24968	1.0
71.04987	2.2
73.02908	0.4
79.05498	0.7
80.05033	0.2
81.03422	0.4
81.07053	1.0
82.06565	0.4
85.02900	4.5
87.04446	0.5
91.05482	0.4
93.07030	0.4
94.06540	0.6
95.04977	0.4
95.08589	0.7
96.08123	0.7
97.02889	0.7
99.04478	0.2
101.02416	0.3
103.05482	0.3
104.04963	0.3
105.06998	1.4
106.06532	0.6
107.07341	2.4
107.08577	0.3
109.02850	0.5
110.09676	0.5
117.21288	0.3
121.08884	0.4
121.10133	0.6
122.09667	6.9
122.10464	0.3
127.03900	0.8
129.05473	0.3
132.07982	0.3
133.27144	0.2
135.06778	1.1
138.84988	0.3
139.11153	0.6
150.09140	100.0
151.09492	0.7
168.10201	4.9
252.23181	0.3
260.23715	0.3
271.05893	0.4
276.23303	0.3
278.24799	2.8
296.25827	3.4
297.03946	3.0
314.06668	0.7
314.26886	11.0
315.73035	0.3
330.15479	10.6
356.27850	0.6
432.52203	0.3
476.32233	17.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.6
55.01877	4.5
55.05512	0.5
57.03429	1.5
60.04527	1.0
61.02924	1.2
62.61219	0.4
67.71045	0.4
68.99791	1.2
69.03076	0.6
69.03432	8.2
70.06591	1.2
70.85006	1.4
71.04987	1.4
71.53281	0.4
72.08124	0.6
73.02914	1.7
74.06064	0.5
79.05496	4.7
80.05003	0.6
81.03430	8.8
83.25390	0.4
83.64012	0.5
84.08192	0.4
85.02910	18.4
86.09716	1.2
87.00830	6.7
90.04707	0.5
91.03985	0.6
91.05484	2.7
95.04966	0.8
97.02909	6.3
99.04443	3.4
103.05468	4.7
105.01878	4.8
105.07036	49.5
106.07366	0.6
107.04952	1.0
108.04481	4.4
109.02883	7.1
115.04181	0.4
115.05464	10.4
117.01860	1.4
118.04186	3.7
119.04897	0.8
121.10139	0.6
126.05521	2.4
127.03915	10.8
129.01843	1.3
131.04936	1.7
132.05736	0.9
133.06499	54.7
143.04984	0.8
143.06049	3.1
145.04970	4.1
147.02998	0.6
149.05919	0.5
159.02933	3.5
161.05988	100.0
162.06351	1.3
164.10742	1.4
182.11772	2.3
193.08617	96.6
194.08914	1.2
211.09695	1.5
230.06671	0.5
231.04965	1.8
248.07658	2.6
266.08899	0.4
301.07050	1.0
326.86365	0.4
341.00177	0.4
476.21527	1.1
476.27875	0.8
498.01550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.9
55.01863	9.2
55.05507	18.5
56.90794	3.2
57.03437	17.7
57.07073	43.8
57.84534	2.6
61.02931	41.2
67.05507	32.5
69.03428	22.5
69.07057	10.7
69.74169	10.2
69.74604	12.0
71.01335	4.1
71.04987	7.7
71.08632	33.5
73.02924	19.1
77.88982	2.6
79.04642	2.9
79.05505	21.0
79.69682	2.8
81.03419	24.6
81.07063	33.6
83.04970	4.3
83.08623	19.9
85.02913	40.1
85.10168	16.6
91.03963	21.5
91.05460	16.0
93.07066	19.9
95.04984	6.5
95.08600	37.1
97.02888	46.7
97.10164	13.3
99.04477	8.1
99.08066	3.8
101.02383	12.7
103.03967	6.9
105.07027	10.2
107.04975	4.5
107.08586	10.6
109.02877	9.1
109.10141	16.3
115.03919	3.9
117.07024	4.6
119.08601	7.4
121.10133	9.1
123.11707	11.0
127.03878	20.5
129.05525	5.4
131.08556	6.9
133.10205	3.9
135.11694	3.2
137.05934	4.1
145.04941	4.1
145.10126	5.4
147.08130	3.3
147.11661	5.6
149.13301	4.9
153.12715	3.7
159.11763	3.9
161.05942	4.5
171.11642	4.2
183.06544	4.3
193.12143	3.0
201.07565	4.4
227.12794	5.5
239.23746	30.2
313.27350	100.0
341.26816	5.1
383.22018	10.5
457.25916	7.7
457.31705	7.3
475.25931	20.7
475.32889	36.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	2.5
53.03949	7.8
55.01867	4.0
55.05517	25.9
57.03436	7.3
57.07050	2.8
60.89825	2.2
61.28294	2.0
62.87461	1.7
65.03934	6.6
67.05505	82.1
69.03423	2.8
69.07068	24.3
69.45252	6.0
69.45662	11.1
71.04968	3.7
73.06568	1.9
79.05490	83.0
81.03419	9.1
81.07051	84.8
83.04989	14.0
83.08609	16.8
85.06536	5.6
91.05477	60.9
93.07041	87.5
95.04966	22.4
95.08598	34.9
97.02892	2.3
97.06534	14.3
97.10150	2.8
99.08070	2.7
105.04530	1.9
105.07023	35.3
107.04962	6.1
107.08591	38.4
109.06540	7.9
109.10150	7.0
111.08115	5.1
112.50456	1.9
117.07020	12.4
119.08574	21.6
121.06496	4.6
121.10143	16.6
123.08100	5.6
128.06233	3.6
129.06989	10.9
131.08565	12.6
133.10149	16.1
135.11717	8.3
143.08588	6.7
144.76253	2.8
145.10078	10.5
147.08057	3.9
147.11684	30.6
149.13242	20.3
153.79243	2.0
155.08545	2.5
157.10165	2.5
159.11729	9.0
161.09673	3.9
161.13191	9.8
163.11180	1.9
171.11674	24.0
175.67587	2.1
177.12677	4.2
179.14517	1.9
189.12730	11.0
195.13794	4.9
207.13789	30.9
225.14896	5.4
289.14340	2.8
383.22205	3.2
475.30710	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	475.2691
Annotation	(+)-Lucidenic acid B
Peak:m/z	Relative Intensity
52.62366	0.9
53.03937	2.1
55.01868	5.9
55.05510	19.8
57.03431	4.7
58.28933	1.0
62.26468	1.1
67.05173	1.5
67.05506	22.6
68.87484	1.0
69.03425	3.3
69.07069	7.3
71.04987	1.6
71.34762	2.8
71.99156	1.0
79.05492	21.4
81.03415	11.5
81.07056	17.9
83.04977	4.9
83.08617	9.3
85.06572	1.2
86.03442	1.0
88.06726	1.1
91.05483	15.5
93.07037	14.1
95.04971	11.7
95.08607	12.2
97.06532	8.0
97.10175	13.9
101.38251	1.3
105.07043	13.2
107.04949	6.8
107.08595	12.3
109.02876	4.8
109.06483	3.0
109.10155	7.0
111.04434	1.1
111.08060	1.8
115.79331	1.0
117.07002	8.2
119.04964	2.1
119.08578	8.1
119.40395	1.1
121.02885	1.9
121.06510	5.2
121.10142	4.4
123.04427	3.0
123.08101	3.0
125.02370	3.0
125.09605	9.6
128.06180	1.6
129.06979	6.1
131.04939	4.5
131.08568	8.9
133.06499	5.4
133.10118	2.6
135.04482	1.3
135.08054	5.2
135.11688	4.5
137.06029	2.1
141.07007	2.8
142.07797	1.7
143.08556	4.8
145.06488	7.8
145.10086	6.6
147.04391	4.8
147.08041	6.8
147.11693	1.9
147.54558	1.3
149.09615	2.8
155.08574	4.4
157.06514	3.7
157.10150	4.6
159.04395	1.6
159.08083	4.2
160.05188	1.5
161.05978	19.0
161.09653	3.1
163.11206	7.2
167.08572	2.2
169.06488	3.0
169.10155	3.3
171.08044	3.7
171.11690	1.7
173.05983	5.1
173.09648	5.2
173.11722	1.5
175.07541	2.4
175.11130	1.8
178.07765	1.5
179.08598	1.5
181.10042	1.2
183.08130	2.6
185.05911	1.3
185.09662	2.7
187.07513	2.7
187.11220	2.2
189.09148	3.9
189.11226	3.7
191.10718	2.2
193.10419	1.5
193.12251	3.9
195.11674	1.4
197.09697	1.9
199.07553	2.3
199.11139	1.2
201.09286	1.5
209.11664	1.3
211.07660	2.0
211.11270	4.0
213.08994	1.1
213.12724	1.5
225.12764	2.7
227.10799	1.4
227.12762	4.0
229.12305	1.2
231.13831	3.5
237.09084	1.3
243.13893	3.1
249.14912	1.3
259.17102	1.1
269.15417	2.5
271.13348	4.3
273.14905	5.5
285.15036	2.3
287.16388	2.6
289.14374	13.6
300.75699	1.1
303.15823	2.3
311.12802	1.3
311.16422	1.5
313.14203	1.4
337.21484	2.3
347.20142	2.0
355.15674	2.8
355.22562	6.2
365.21173	7.5
372.02164	1.5
383.22189	48.7
393.24115	1.6
401.23227	21.3
403.22644	2.0
419.24280	3.2
421.23987	2.7
429.26318	1.5
431.24411	4.2
439.24762	5.6
457.25900	41.3
458.26239	1.4
475.26907	100.0
476.27383	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	474.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.9
55.01853	0.6
55.05488	0.8
56.96541	0.4
57.03432	2.6
61.02924	2.7
63.48220	0.2
65.35936	0.2
67.05511	1.7
68.04997	0.7
69.03430	7.9
69.07073	2.0
70.06592	1.9
70.11388	0.3
70.77228	0.8
71.01333	0.6
71.04998	1.7
72.08128	1.1
73.02916	3.6
74.06046	0.3
79.05489	1.7
80.04980	0.5
81.03413	2.6
81.07060	2.2
82.06587	1.2
83.04966	0.3
84.04474	0.4
84.08113	0.5
85.02900	10.8
86.09679	0.6
87.00805	0.3
87.04464	2.8
91.03961	0.6
91.05473	1.2
93.07035	2.2
94.06573	1.3
95.04935	0.7
95.08600	1.5
96.07547	0.4
96.08126	4.5
97.02887	5.0
97.06476	0.7
98.09655	0.3
98.97547	0.6
99.04432	1.5
101.02349	0.7
105.07011	1.1
107.08566	1.6
108.08118	1.2
109.02876	1.5
109.06488	0.4
109.08891	0.7
109.10109	0.8
110.09686	1.3
112.73683	0.3
115.03905	0.3
116.10713	0.3
116.98571	0.3
117.06990	0.3
119.08553	1.0
120.08058	0.8
121.10097	0.6
122.09695	1.1
123.06724	0.3
123.08045	0.3
127.03918	2.6
127.09898	0.9
129.10269	0.3
131.08591	0.4
133.10074	0.7
135.07968	0.3
135.11708	0.3
136.07536	0.3
137.06015	0.4
140.10681	0.8
145.04935	1.1
145.10095	0.6
146.10518	0.3
147.10432	0.2
147.11655	0.5
149.06001	0.3
149.13272	0.3
154.08597	0.6
158.08101	0.3
159.11679	0.4
161.09560	0.5
165.12816	0.3
171.11464	0.3
174.66780	0.3
175.14731	0.4
191.14197	0.4
196.83324	0.2
207.13753	0.3
208.14203	0.3
209.15334	0.3
220.20581	0.6
221.55040	0.3
227.16389	0.5
234.22093	0.5
237.02835	0.3
238.21666	0.3
251.94069	0.3
254.21147	0.3
259.09622	0.3
276.23160	1.0
288.14191	0.3
289.14996	0.6
292.22781	2.4
293.23016	0.7
294.24268	26.1
295.24600	1.0
310.23816	1.0
311.24048	1.0
312.25299	57.5
313.25583	2.1
332.11154	0.3
362.28809	0.2
407.68292	0.3
438.28110	0.4
456.21704	0.4
456.29587	2.7
474.30603	100.0
475.31042	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	474.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05497	2.1
57.07073	0.8
57.79707	0.7
67.05508	3.7
69.03422	1.9
69.07059	3.6
69.26090	3.7
69.26520	4.8
71.04993	14.1
73.02893	1.0
79.05495	4.0
81.03406	1.0
81.07069	6.2
83.04981	1.3
83.08616	3.3
85.02908	5.7
85.06542	8.1
85.88181	0.7
87.00832	1.2
87.47563	0.8
91.05470	7.0
93.07040	12.3
95.04957	2.8
95.08607	10.8
97.02882	2.6
97.06535	17.6
105.01847	3.4
105.07025	12.6
107.08594	19.1
109.02885	0.8
109.06516	5.9
109.10158	3.1
111.08090	4.8
117.07005	1.6
119.08580	9.0
120.08136	3.7
121.10143	30.1
123.08052	2.5
127.03900	3.2
131.08556	7.8
133.10130	93.3
135.08051	14.9
135.11678	1.6
143.08540	2.5
145.04959	1.0
145.10112	3.1
147.11696	17.1
148.12502	0.7
149.09627	1.6
149.13264	16.3
156.09084	0.8
158.10898	3.3
159.00528	0.7
160.03250	0.9
163.11197	1.7
163.14777	1.1
164.56735	0.8
165.09081	1.1
173.13260	22.4
191.14304	100.0
209.15294	3.8
249.06113	1.2
267.80905	0.7
414.54065	0.8
419.61572	0.8
439.20157	1.0
472.79675	0.9
475.26807	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	474.2334
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44864	0.7
53.03932	1.5
55.01853	1.7
55.05501	1.9
56.96555	0.8
57.03432	1.7
57.07057	1.1
57.37769	0.6
59.04999	0.7
61.02921	1.1
65.03938	0.9
67.05504	4.6
69.03429	5.2
69.07060	1.5
70.04969	1.4
70.05383	1.9
70.06602	0.7
71.05000	4.9
73.02889	0.8
79.05493	3.6
81.03432	4.1
81.07051	5.1
85.02428	1.2
85.02905	14.8
85.06554	3.4
86.06038	0.7
86.09684	1.2
87.00827	5.5
91.05495	4.7
93.07053	4.8
95.04964	5.3
95.08603	4.6
97.02891	5.4
97.06517	3.4
99.04453	1.9
105.01884	4.8
105.07028	10.2
105.76881	0.6
107.08601	8.2
109.02883	3.9
109.06513	63.3
109.10154	16.9
109.10912	0.8
110.06776	1.0
111.08064	2.2
116.98669	0.6
117.01843	0.7
117.07001	1.9
119.08596	3.3
121.10152	5.0
123.08066	8.3
127.03919	7.7
129.01787	0.6
129.06979	1.3
131.03424	0.7
131.08562	18.8
133.10124	41.6
135.08049	27.9
135.09108	0.8
135.11694	0.7
143.08575	0.9
145.04951	2.8
145.10121	4.6
147.11690	4.3
149.09621	2.3
149.13237	2.3
153.01790	0.9
153.09152	3.0
158.08063	1.1
158.10902	3.0
159.02890	2.1
159.11720	0.8
161.09494	0.7
163.14828	1.2
165.09081	1.8
173.13255	36.4
175.14798	1.7
191.14302	100.0
192.14720	1.3
209.15363	50.3
210.15813	0.8
231.04962	1.7
271.05994	21.1
272.50381	0.6
290.77158	0.7
296.37827	0.7
342.12283	0.6
357.19125	0.8
365.20056	0.7
386.11160	1.4
413.21991	1.0
474.28287	1.1
475.21796	3.0
478.00052	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01860	3.3
55.05527	0.8
56.96559	1.1
57.03188	1.2
57.03438	16.3
57.07072	10.8
58.66542	0.8
59.05005	1.2
61.02932	5.4
65.43078	0.9
67.05489	2.6
68.80943	0.8
69.03432	16.4
69.07031	0.8
70.06581	3.7
71.01340	1.3
71.04985	3.2
71.58316	2.0
72.08147	3.1
72.19754	0.8
73.02918	26.6
75.57890	0.8
81.03409	3.4
81.38512	0.8
85.02905	33.4
85.06544	13.8
86.09708	4.9
87.04459	1.7
91.03939	1.5
95.04956	4.3
95.08659	1.1
97.02896	28.2
98.97569	0.9
99.04478	1.4
101.06037	4.0
103.03937	1.2
103.07583	90.1
109.02886	4.4
113.05998	3.6
115.03926	11.6
116.07028	0.8
116.98585	1.5
124.07533	1.2
127.03912	10.8
127.07552	12.9
131.07056	5.6
133.04970	13.9
135.10121	1.3
137.05969	1.1
145.04958	15.1
145.08614	8.3
163.06026	7.3
163.09659	100.0
166.39545	0.9
193.04977	1.0
223.06078	2.6
241.07082	3.0
241.10649	1.4
243.57664	0.9
259.08102	6.1
277.09335	1.1
295.10153	3.4
295.13782	3.8
325.14789	3.2
342.00140	0.9
475.17111	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	473.2899
Annotation	Paeonenoide A
Peak:m/z	Relative Intensity
53.03935	8.3
55.01870	3.6
55.05511	18.2
56.96564	1.2
57.03432	3.8
65.03940	4.3
67.05505	46.1
69.03419	1.9
69.07072	9.0
70.61738	2.7
70.62094	2.1
71.04995	2.9
73.02913	1.5
79.05492	57.7
81.03417	87.7
81.06580	1.9
81.07056	36.7
83.04977	9.9
83.08614	20.6
85.02923	1.3
85.06532	1.9
91.05482	53.6
93.07039	44.3
95.04969	35.9
95.08608	20.5
97.02887	2.8
97.06528	3.7
97.10175	5.6
103.05476	2.0
105.04574	1.6
105.07035	36.8
107.04959	9.8
107.08596	14.7
109.06543	6.3
109.10165	6.1
111.04476	1.1
111.08062	7.2
115.05473	1.6
117.07014	9.2
119.08582	27.1
121.06515	4.7
121.10133	6.7
123.08070	5.9
123.11721	1.2
125.09586	2.4
127.07480	1.3
128.06248	2.4
129.07013	20.0
131.08575	13.6
133.06505	4.6
133.10129	10.2
135.08008	1.5
135.11679	1.2
137.09659	1.7
141.06982	1.6
142.07828	2.0
143.08516	6.9
145.06534	2.1
145.10107	6.8
147.08057	5.2
147.11688	30.9
148.27731	1.0
149.09636	3.7
156.09312	1.4
157.06535	1.3
157.10147	11.0
159.08070	1.5
159.11688	2.4
161.09669	4.3
161.13321	7.0
165.09145	1.1
169.10217	1.6
171.11682	18.6
175.11197	8.9
177.12679	1.0
185.09689	1.7
185.13258	1.1
189.11250	2.2
189.12743	10.1
193.12247	24.4
207.13820	23.4
213.12718	1.6
225.14894	2.4
229.16086	1.8
249.14827	5.2
267.15970	1.4
281.17606	1.9
359.56116	1.3
381.24493	3.8
399.25760	1.6
455.28180	2.5
473.29099	100.0
474.29327	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	473.2536
Annotation	Akiferidinin
Peak:m/z	Relative Intensity
53.03936	2.8
55.01854	5.4
55.05514	13.3
57.03429	2.5
65.03937	1.6
67.05177	1.5
67.05505	19.6
69.03419	3.2
69.07057	5.1
71.04993	2.8
71.15375	1.3
71.59594	1.7
71.59950	1.6
79.05501	18.9
81.03412	16.7
81.07056	18.1
83.04955	2.8
83.08611	5.6
85.02907	2.5
85.06543	1.5
91.05482	19.0
91.06024	2.5
93.07047	12.7
95.04959	9.7
95.08603	14.6
97.02872	2.7
97.06522	1.9
97.10168	10.6
98.97581	1.4
98.98599	1.4
105.07043	11.6
107.04951	16.8
107.08582	9.0
109.02869	2.7
109.06484	2.9
109.10139	4.5
111.08057	2.0
112.43665	1.4
115.05446	3.2
117.06984	7.7
119.04955	2.1
119.08596	7.5
121.06496	6.4
121.10155	3.9
123.04447	1.3
123.08055	6.0
125.02335	5.5
125.09630	7.8
128.06200	2.6
129.07024	8.3
131.04871	3.4
131.08621	7.7
133.06461	4.7
133.10141	4.2
135.04407	3.4
135.08086	3.3
135.11676	2.6
137.05983	2.5
141.07022	4.6
143.08568	4.3
145.06488	6.7
145.10130	7.6
147.04372	3.2
147.08028	4.3
147.11714	2.4
149.09584	3.8
151.07539	2.3
153.07018	1.7
155.08563	2.6
157.06480	4.3
157.10155	2.7
159.08009	4.5
159.11777	2.1
160.05231	3.5
161.06027	10.6
161.09630	6.0
163.11162	5.2
165.07088	2.1
167.08469	1.7
169.06438	2.0
169.10117	2.8
171.08044	6.0
171.11462	2.3
173.06009	5.2
173.09612	5.9
175.07541	2.5
175.11110	2.2
181.10089	2.2
183.08127	2.2
183.11641	2.1
185.06055	2.9
185.09592	3.6
185.13254	1.5
187.07573	3.5
189.09096	27.1
189.11197	4.6
191.10652	5.2
193.10179	1.7
193.12183	3.0
195.11739	1.6
197.09453	1.7
199.11131	3.1
201.12836	1.8
209.09656	2.4
211.11197	2.8
213.09177	2.1
223.11157	2.0
229.12265	4.5
237.11125	3.4
243.13857	2.6
255.11978	1.9
259.13394	1.8
265.14316	2.4
269.15408	2.0
273.14780	2.7
287.12766	1.6
289.14453	8.6
297.14761	2.0
311.14957	2.8
335.19980	2.1
353.20966	4.7
363.19531	4.8
371.22018	2.1
381.20569	40.6
399.21750	6.1
404.33792	1.5
417.22693	2.9
429.22800	2.5
455.24258	25.7
473.25296	100.0
474.25351	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	472.291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	6.7
55.05286	2.5
55.05512	15.5
56.89007	2.9
57.03443	16.3
58.42265	3.2
59.05017	3.6
61.02926	5.6
65.03934	2.5
65.30031	2.3
67.05509	75.4
69.07085	6.5
71.04981	7.3
71.60402	3.9
79.05480	15.8
80.08814	3.1
81.03413	7.7
81.07060	27.7
83.01347	8.8
83.04971	7.8
83.08614	11.8
85.02911	4.5
91.05495	16.7
93.07060	17.9
95.04986	5.5
95.08600	10.6
97.06541	6.4
105.07039	8.7
107.04977	6.2
107.08591	7.9
109.06527	5.1
109.10162	81.0
111.08106	3.7
117.07027	5.7
119.08597	12.3
121.10128	7.6
123.08092	4.2
131.08560	3.6
135.11685	8.9
145.06500	3.8
145.10112	6.2
149.02350	6.1
161.26659	2.9
163.11205	18.5
166.89491	3.3
173.11765	20.7
181.12199	4.3
193.04941	2.8
209.11688	3.1
227.12814	5.6
229.12109	5.5
229.14362	100.0
271.12253	2.7
283.15430	86.9
283.18546	5.8
437.25391	71.0
438.25821	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	472.2909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.6
55.05515	3.8
57.03424	0.8
57.07075	0.7
57.10701	0.4
58.76789	0.5
67.05508	3.6
69.03442	0.5
69.07077	3.9
69.40121	2.6
69.40549	2.1
79.05489	1.5
81.03426	0.6
81.07047	2.8
81.45451	0.5
83.04989	0.5
83.08630	1.6
85.02909	0.7
85.06534	0.5
86.06084	0.7
86.09701	0.7
91.05484	1.4
93.07033	1.7
94.06582	2.3
95.04972	1.2
95.08599	2.3
97.02903	1.1
97.06501	0.6
97.10150	0.6
98.06057	0.4
105.07050	0.6
107.08611	1.2
109.05270	0.7
109.06515	0.6
109.10161	2.0
117.06959	0.5
119.08560	0.6
120.08096	1.0
121.10130	1.1
122.06036	16.0
123.06821	10.4
123.11703	0.6
124.07592	1.2
131.04883	0.6
131.08568	0.7
133.10143	0.7
134.06013	2.0
135.06844	0.6
136.07578	6.9
137.06067	0.6
137.08400	0.7
140.07069	1.1
145.10155	0.8
147.06813	1.1
147.08047	0.6
147.11690	0.7
148.07590	3.1
149.08360	1.1
149.09540	0.7
150.09154	2.7
161.08424	0.8
162.09180	1.7
163.09937	0.6
164.10716	0.9
165.09103	0.9
174.09200	0.9
176.10724	1.8
178.12180	0.7
188.10709	0.9
189.09190	0.8
190.12250	1.0
202.12209	0.8
204.13835	1.0
218.15442	1.3
223.16812	0.5
226.18036	0.7
232.16985	1.1
235.68083	0.6
246.22272	0.9
263.31195	0.6
274.21661	76.8
275.21936	0.8
288.18094	0.8
292.22720	40.5
293.23267	0.6
297.12372	1.3
298.13126	1.0
310.23764	100.0
311.24121	1.2
381.20782	0.8
441.11169	0.6
472.22174	0.8
472.29089	13.3
473.25305	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	472.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01841	0.4
55.05507	1.5
57.03434	1.7
59.04986	0.3
61.02925	1.7
65.03654	0.3
65.26335	0.3
67.05484	0.5
69.03428	5.2
69.07063	1.5
70.06581	1.5
70.72495	0.4
70.72831	0.7
71.01335	0.4
71.04969	0.6
72.08154	1.8
72.39737	0.3
73.02921	1.5
79.05463	0.3
81.02987	0.3
81.03413	2.0
81.07034	0.5
82.06583	0.3
83.08579	1.1
84.04458	0.5
84.08128	0.5
85.02902	12.4
86.06030	0.9
86.08890	0.3
86.09711	5.0
87.04430	1.2
91.03908	0.4
91.05504	0.3
94.06535	0.7
95.08588	0.3
97.02383	0.3
97.02892	3.7
98.05993	0.3
98.97564	0.4
99.04454	1.4
100.11243	1.0
101.02345	0.5
103.03864	0.5
105.06990	0.4
109.02879	1.6
109.10100	0.5
110.06011	1.0
115.03876	0.4
120.08086	0.3
121.10095	0.3
122.06023	7.5
123.06811	16.0
124.07554	1.1
127.03900	2.3
129.10205	0.4
132.10184	0.3
136.07564	9.8
137.08321	0.9
138.09172	0.3
140.07045	0.6
140.65834	0.3
143.11769	0.4
145.04922	0.8
147.06752	0.3
148.07578	0.8
149.08337	0.3
150.09172	2.2
152.10678	0.4
162.09100	0.5
164.10692	0.9
171.11237	0.3
176.10632	0.5
177.00719	0.6
178.12209	0.9
182.15395	0.8
192.13791	0.7
199.17982	0.7
206.15385	0.7
210.14980	0.6
212.16451	0.4
218.15404	0.4
220.16953	0.5
227.17546	0.5
228.15964	0.5
232.16936	0.8
234.18423	0.9
243.17039	0.4
245.18466	0.3
248.20088	3.5
250.17931	0.6
255.06505	0.8
269.08105	2.9
270.05182	0.9
271.06082	0.4
274.21652	10.6
276.23083	0.6
278.08109	0.4
279.06461	2.3
279.08786	0.5
281.06824	1.1
292.22693	67.3
293.23126	1.9
295.08072	0.3
296.09174	24.0
297.09827	2.1
310.23740	100.0
311.24054	2.8
341.21768	0.5
383.64310	0.3
399.97226	0.3
436.18872	0.4
454.19089	0.4
454.33179	0.4
455.20490	0.3
465.74603	0.3
472.12097	1.1
472.29019	46.1
473.22708	0.5
473.29385	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	472.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
53.62289	0.4
55.01844	1.1
55.05472	1.5
56.26245	0.4
57.03395	1.6
59.04964	0.4
61.02889	1.6
67.05488	0.8
69.03431	8.0
69.07029	1.8
70.06553	1.8
71.01328	0.5
71.04967	1.0
71.14300	0.5
71.59184	0.5
72.08117	2.1
73.02924	2.2
79.05469	0.7
81.03381	1.4
81.07018	0.8
83.04971	0.5
85.02906	13.4
86.06035	2.0
86.09708	6.1
87.04425	1.1
91.03907	0.9
91.05452	0.9
93.07024	1.0
94.06514	0.7
95.04929	0.5
95.08558	0.7
97.02911	3.6
97.06506	1.1
99.04421	1.4
103.03904	0.6
105.07002	0.6
107.08575	0.6
109.02824	1.7
109.06489	0.6
109.10076	0.6
110.05991	0.8
119.08612	0.5
121.10228	0.6
122.05271	0.6
122.06026	7.3
123.06810	15.7
123.08062	0.6
124.07564	1.3
125.05918	0.5
127.03914	2.7
130.04948	0.5
131.08519	0.5
132.10245	0.6
133.10159	0.5
136.06526	0.5
136.07574	8.9
137.05910	0.7
137.08311	1.3
138.09076	1.1
139.42812	0.5
140.07036	0.9
140.10664	0.7
142.08601	0.8
143.11803	0.5
145.04958	1.0
150.09096	2.1
162.09094	0.6
164.10741	1.1
178.12195	0.6
182.15430	0.5
190.12314	0.6
192.13831	0.6
199.18114	0.9
204.13771	0.5
206.15417	1.2
207.13712	0.7
212.16461	0.9
220.17113	0.7
227.17450	0.8
228.13545	0.5
232.17096	0.8
233.89531	0.5
234.18565	0.7
248.20160	2.7
250.17847	0.5
255.06506	0.9
269.08035	1.7
271.05991	0.6
274.21649	9.6
275.18527	0.6
276.23355	0.7
279.06482	1.8
279.09216	0.9
288.14539	0.5
292.22702	64.4
293.23096	1.3
296.09164	21.6
297.09622	1.3
303.13208	0.6
310.23755	100.0
311.24136	1.7
341.21835	0.7
347.12509	0.6
413.56750	0.5
436.18854	0.7
445.13394	0.5
454.19940	1.3
454.28192	0.9
472.21756	2.8
472.29086	53.3
473.19861	0.6
473.29468	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	472.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	13.1
55.01865	9.6
55.05516	1.8
57.03440	8.1
61.02926	8.4
68.99800	3.0
69.03429	28.6
71.04990	9.5
73.02921	8.2
79.05502	2.4
81.03419	32.3
81.07063	3.4
83.04999	1.7
85.02905	94.5
87.00828	40.0
87.01348	2.5
87.04457	1.6
91.03970	4.4
91.05480	3.3
93.07021	2.1
95.04991	2.6
96.41653	1.3
97.02888	57.9
97.06553	1.7
99.04461	19.4
105.01868	58.9
105.03391	24.5
105.07035	2.2
107.04890	1.6
107.18363	1.5
109.02879	34.7
109.10170	2.2
115.03953	1.6
117.01872	5.4
119.08569	3.4
123.04430	5.2
127.03924	100.0
129.01833	3.7
133.10072	1.7
141.73248	1.6
145.04964	58.2
147.02901	4.4
147.08095	1.7
158.95419	1.6
159.02896	20.6
165.09100	2.9
166.90671	1.7
177.04016	2.6
189.09114	4.8
193.08629	2.8
211.09573	2.2
213.03923	7.5
231.05002	32.2
231.07195	1.9
249.06013	13.0
258.56705	1.6
311.92374	1.8
315.10687	3.6
338.07187	1.8
472.22229	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	471.2954
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	4.5
55.05306	3.2
55.05515	36.2
56.96564	7.0
57.03427	6.8
57.07074	4.3
61.02918	3.7
67.05503	27.0
69.03432	19.7
69.07069	27.2
70.06584	5.0
71.04984	4.5
71.60783	3.7
71.61158	4.6
76.33274	2.7
79.05485	16.5
81.03406	9.4
81.07056	65.1
83.04970	7.6
83.08615	11.6
85.02901	14.4
85.06542	3.9
86.09701	5.5
91.05473	16.7
93.07039	32.5
95.04951	7.3
95.08607	49.6
95.28185	3.0
96.69926	3.1
97.02895	100.0
97.03516	5.3
97.06529	10.8
97.10171	64.6
98.97562	7.3
99.04457	3.2
105.07056	27.8
107.04968	4.5
107.08591	29.6
109.02875	4.0
109.06548	8.1
109.10153	32.2
111.08073	6.4
113.09634	3.1
115.03946	14.1
116.98614	6.7
117.06990	4.9
119.08588	19.6
121.06547	5.4
121.10162	25.3
122.09641	4.2
123.04412	3.8
123.08046	9.4
123.11704	19.0
125.05968	3.9
125.09625	20.8
127.03943	4.8
127.07578	3.1
131.08566	9.2
133.10118	13.6
134.99663	6.7
135.08032	5.8
135.11668	13.3
137.05980	4.9
137.09604	9.9
139.11147	8.7
141.09128	3.0
143.08578	4.9
143.10652	21.0
145.10159	18.3
147.11691	11.6
149.09612	6.1
149.13264	10.5
151.07533	3.5
151.11223	6.8
151.14819	3.9
153.09152	3.1
157.10139	6.3
158.99586	3.7
159.08060	5.4
159.11696	12.9
161.01262	5.2
161.09619	7.3
161.13249	9.8
163.07506	3.9
163.11110	6.3
163.14822	4.4
165.09116	12.1
165.12727	3.3
171.11707	7.7
173.09645	5.3
173.13261	3.5
175.11200	6.9
175.14815	3.1
177.00630	6.1
177.09166	3.6
177.16444	3.9
183.11690	5.4
185.13248	5.4
187.14897	5.6
189.11192	5.6
189.12741	3.8
189.16490	4.0
203.10637	4.8
205.15988	4.2
215.07129	4.1
219.01752	5.1
221.11739	17.2
223.16908	4.5
229.15848	4.4
233.15308	4.2
239.12630	4.5
241.09337	2.9
247.16989	5.6
253.09514	2.9
256.34238	3.0
267.12155	4.5
285.13303	7.3
303.23239	6.4
319.22589	3.6
321.24286	20.3
333.04895	7.2
339.25415	3.2
399.25272	5.5
405.26495	3.6
417.26242	24.5
435.27359	27.0
453.18341	10.4
453.28525	29.3
454.18170	2.9
471.08154	5.6
471.20767	6.7
480.77914	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	471.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.7
55.05512	49.4
57.03429	9.3
57.07063	7.6
59.04989	6.4
67.05507	34.8
69.03426	31.5
69.07066	59.5
69.54591	21.5
69.55001	8.1
70.06582	7.7
71.04983	14.4
73.02904	3.4
73.86021	3.3
75.53834	2.9
79.05489	27.5
81.03404	9.1
81.07062	100.0
83.04987	17.0
83.08601	9.8
85.02892	30.0
85.06525	15.6
87.04474	4.5
87.06377	3.1
91.05464	24.4
93.07046	51.0
95.04980	21.9
95.08605	66.1
95.31840	3.4
96.08940	3.9
97.02282	6.7
97.02892	96.9
97.06544	18.3
97.10174	66.7
97.54478	3.1
98.97556	8.7
99.04456	7.4
99.08080	7.7
105.07040	43.4
107.04936	10.9
107.08586	49.6
109.02839	4.2
109.06505	12.3
109.07178	3.2
109.10149	55.5
110.10539	5.9
111.04434	6.4
111.08087	18.2
111.11731	9.7
115.03931	12.9
117.07006	9.1
119.08578	41.0
121.06479	9.5
121.10147	41.7
122.09696	3.9
123.04419	5.8
123.08054	17.6
123.11720	40.0
125.06009	5.7
125.09612	18.1
127.03912	10.4
129.05479	5.4
129.06981	6.8
131.08571	13.1
133.10133	27.2
135.08043	17.7
135.11707	22.9
137.02315	6.8
137.05960	8.1
137.09599	35.6
137.13232	6.8
138.10538	3.6
139.11189	21.2
143.08583	8.7
143.10681	15.7
145.06506	5.3
145.10115	28.4
147.08005	7.1
147.11687	29.6
149.09610	15.3
149.13261	16.0
151.07562	6.0
151.11191	9.6
153.09096	4.7
153.12712	10.8
155.08630	3.9
155.10667	6.0
157.10150	9.0
157.12231	13.1
158.99583	4.2
159.08075	5.8
159.11668	20.7
161.09641	7.2
161.13272	12.0
163.11185	11.8
163.14836	6.5
165.09131	19.3
165.12781	8.0
165.57088	3.2
169.10164	5.8
171.11696	9.6
173.09706	7.2
173.13243	9.9
175.11282	5.6
175.14859	7.9
177.00853	3.5
177.12752	6.2
183.11620	6.2
185.13257	5.8
187.14842	11.9
189.11214	4.7
197.13290	4.3
199.14815	5.0
201.12733	6.0
205.15863	23.0
215.07150	5.5
215.14455	6.3
217.12187	3.8
217.15907	3.4
221.11580	5.0
221.15251	4.7
223.16933	35.3
231.13940	3.6
233.15321	5.2
235.13220	3.7
237.02756	4.5
255.06471	4.5
275.23642	3.6
285.10153	4.8
303.23117	19.1
315.23215	5.0
321.24280	14.8
333.07959	34.2
335.09427	14.7
345.24301	6.8
349.15396	3.5
399.25119	11.1
405.26266	7.2
417.26291	28.6
435.27377	37.1
453.28467	38.1
471.16040	17.1
471.21915	80.6
471.28156	4.9
472.22110	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	471.2203
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14980	0.3
55.05490	0.7
56.96513	0.3
57.07018	0.3
60.58936	0.3
67.05479	0.8
69.07030	1.2
69.31603	0.3
70.06167	0.6
70.06583	1.2
79.05462	0.5
81.07050	2.4
90.11785	0.3
93.07028	0.7
95.04974	0.3
95.08569	1.1
97.02863	0.7
97.10140	0.3
99.97575	0.3
105.07001	0.8
107.08549	0.8
109.10138	0.8
119.08560	0.5
121.10117	0.5
122.09571	0.4
123.08002	0.4
123.11647	0.5
133.10060	0.5
136.39644	0.3
137.09601	0.4
147.11626	0.4
149.09576	0.4
155.03186	0.6
159.11687	0.7
165.09090	1.1
173.02995	0.5
201.03665	1.0
203.05281	1.6
203.06856	0.3
225.16293	0.3
232.60374	0.3
275.07452	2.1
333.07928	42.0
334.08606	0.7
335.09491	21.9
336.09653	0.4
417.26163	0.4
435.17395	0.8
453.18631	0.9
453.29071	0.4
471.22046	100.0
472.22507	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	469.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20162	1.4
53.03950	1.6
55.01867	3.3
55.05259	2.8
55.05510	35.8
57.03436	2.2
57.07074	18.5
59.04988	5.0
61.02917	1.9
66.40290	1.4
67.05496	6.1
67.25608	1.5
69.03430	13.4
69.07066	51.1
70.06580	2.9
70.66452	4.6
71.04988	2.0
71.08633	12.0
72.23999	1.6
73.02930	4.5
73.06538	1.8
76.15559	1.6
79.05505	4.8
81.03416	3.5
81.07056	17.3
83.04980	3.4
83.08616	100.0
85.02904	22.9
85.06528	3.0
86.09712	5.2
89.65926	1.5
91.05473	6.7
93.07031	9.9
95.04966	6.0
95.08583	9.0
97.02886	19.1
97.06553	4.7
97.10169	20.3
101.09624	2.3
105.07052	6.1
107.04915	2.0
107.08617	9.6
109.02862	2.6
109.06513	6.3
109.10148	10.4
111.08088	7.4
115.03909	2.0
116.98657	2.3
117.06986	2.0
119.08584	6.5
120.08128	2.3
121.06533	2.1
121.10130	6.9
123.08074	3.9
123.11678	3.5
124.99993	2.9
125.09628	2.1
127.03916	4.5
129.06993	1.7
131.08601	2.4
133.05028	2.5
133.10147	4.2
135.07965	2.5
135.11687	2.5
137.09575	2.4
139.11198	3.2
139.14816	31.7
143.08598	3.4
143.10655	1.7
145.04961	4.0
145.10121	4.6
147.11700	3.6
149.09608	3.8
149.28308	2.0
151.11148	2.3
157.10201	2.7
157.12262	2.0
157.14568	3.6
157.15878	73.8
158.60841	1.6
159.11647	2.6
161.09569	2.8
161.13339	1.9
163.06071	1.7
164.14336	1.6
173.13306	2.2
175.14899	1.9
175.15327	2.0
175.16937	21.2
184.07356	7.1
185.07802	4.1
185.09381	1.7
198.18468	3.0
354.47031	1.6
375.13452	1.7
415.24683	2.6
433.25967	3.6
451.26581	3.4
469.28436	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	469.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10989	2.7
53.03949	5.4
55.01888	4.9
55.05513	34.0
57.03432	2.5
57.07081	7.5
64.82987	2.7
65.03934	4.1
67.05515	34.1
69.03429	31.2
69.07065	29.6
69.48935	7.2
69.49337	15.5
70.06616	6.1
71.04993	12.2
71.08629	9.4
73.02905	4.1
73.14337	2.2
74.82545	2.5
79.05497	33.2
81.03433	14.7
81.06580	4.0
81.07060	74.9
83.04980	41.6
83.08635	18.6
84.08121	2.6
85.02901	18.5
85.06547	12.9
86.09714	4.6
87.00807	5.9
87.04449	2.7
88.11277	8.6
91.05479	38.7
93.07051	67.8
95.04990	18.7
95.08614	54.2
97.02902	16.6
97.06544	9.0
97.10183	11.0
98.20689	4.5
99.04449	5.4
99.08099	19.2
100.07615	6.6
100.11257	15.9
105.07034	80.1
107.08601	79.7
109.02903	6.0
109.06526	11.2
109.10155	49.0
111.04442	7.5
111.08061	4.8
115.03980	2.7
115.05486	2.4
117.07029	11.8
119.08585	100.0
120.08099	2.9
121.06519	6.1
121.10149	52.3
122.09634	4.1
123.08079	14.0
123.11712	26.0
123.32019	2.8
125.06002	4.4
125.09632	7.9
127.03948	9.3
127.07538	4.3
127.11219	8.6
128.07077	6.8
129.07001	7.5
131.08572	48.6
133.10136	63.8
135.08060	10.8
135.11702	36.5
137.09642	4.3
137.13243	5.3
139.11159	6.2
139.43077	2.8
140.07065	3.5
142.07791	3.6
143.08586	13.6
145.10129	55.1
147.08047	6.0
147.11684	94.1
149.09621	7.3
149.13275	34.3
151.07555	4.0
151.11208	4.2
153.12762	3.0
155.08542	5.7
157.10124	24.3
159.08086	3.8
159.11700	51.0
161.09595	8.2
161.13272	28.6
163.07533	4.9
163.11229	6.9
163.14841	6.8
169.10173	7.5
170.15413	38.3
171.08040	2.8
171.11690	15.8
173.09688	4.3
173.13255	25.2
175.11250	8.2
175.14812	24.0
177.09125	4.7
177.12794	3.0
177.16408	15.0
179.14326	3.1
181.10063	4.9
182.15395	22.9
183.11729	8.2
185.13264	18.1
187.14838	41.6
189.12755	6.2
189.16364	9.1
191.14333	4.7
193.15932	3.9
197.13339	9.9
198.14906	24.0
199.11169	3.6
199.14835	18.8
201.12984	3.1
201.16377	71.1
203.14345	19.7
203.17950	26.4
205.15909	30.1
205.19650	2.9
207.11873	3.9
209.13254	5.4
210.14922	24.5
211.14740	5.0
213.16380	11.1
215.14410	5.7
215.17943	3.6
217.15901	10.9
219.13887	3.0
219.17419	16.7
221.13365	3.2
221.15442	6.0
221.18941	6.5
223.14847	3.8
227.17674	5.9
228.15993	2.9
231.17546	4.9
233.15521	4.0
237.16405	3.3
241.19531	3.7
243.17317	7.2
245.18878	3.4
247.16991	4.4
249.14790	4.4
255.17090	4.3
259.17130	2.6
265.17883	3.4
272.19736	9.7
283.20432	2.8
293.22650	3.3
297.25641	2.9
299.19989	2.9
337.21225	5.7
347.27499	3.3
354.23886	3.2
365.28424	12.9
382.23370	6.3
393.27753	5.8
405.31427	17.4
411.29016	25.5
415.32150	3.2
423.32611	23.7
424.31805	7.7
433.31097	7.3
441.34000	5.0
451.32556	17.9
469.22162	5.3
469.33582	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66108	0.9
55.05513	1.9
57.03433	2.9
59.20218	0.9
60.53193	1.2
67.05502	2.3
69.03426	3.7
69.89143	6.9
70.06589	3.7
71.04988	6.4
72.08144	1.5
74.18370	1.1
79.05496	2.0
79.96265	1.2
81.03434	2.0
81.07036	1.8
83.06099	1.2
84.08133	1.3
84.98621	0.9
85.02900	14.0
85.06536	2.9
86.09702	1.5
90.61137	1.0
91.05478	1.5
93.07059	2.1
95.04974	1.6
95.08597	2.6
96.08131	1.3
97.02888	2.9
97.06546	1.5
97.24147	1.1
98.42348	1.1
99.04449	2.0
108.08124	5.8
109.02941	1.2
109.53141	1.0
112.56148	1.1
118.06561	2.0
120.08106	21.5
121.02897	1.8
124.07600	8.1
126.09171	3.2
129.05482	2.4
136.07579	40.1
138.09128	4.6
142.06447	1.2
145.08632	2.0
146.05960	1.4
147.06480	2.0
148.07588	9.2
152.07094	1.4
160.07556	6.4
161.08002	6.3
164.07074	24.5
166.08650	2.5
178.08733	1.9
183.10448	1.1
187.12276	5.6
198.12781	1.4
202.08565	1.4
213.10297	1.6
214.11058	6.0
215.11891	5.5
215.15404	2.6
224.53705	1.0
225.13921	2.7
226.12312	4.0
227.11946	1.7
228.12579	5.5
242.10397	1.2
243.14928	47.9
244.15149	1.9
253.13409	2.3
261.16324	1.4
271.11105	2.8
271.14395	57.3
272.14877	2.1
289.12100	4.1
289.15442	100.0
290.15805	3.2
307.12741	11.3
307.16440	2.5
323.13013	1.6
328.10403	1.9
357.01691	1.1
401.49036	1.1
451.16232	1.5
469.16699	19.9
470.16730	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	468.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59723	0.3
55.05500	0.9
56.05021	1.2
57.03418	1.1
58.06603	1.2
59.07367	0.4
60.08160	15.4
67.05494	1.9
69.03415	0.9
69.07058	0.7
70.06580	1.1
71.04980	1.4
71.07372	5.6
79.05486	1.5
81.03415	1.6
81.07066	2.2
82.75195	0.4
83.04957	0.8
83.08597	0.5
85.02899	3.4
86.09699	47.8
88.02917	0.3
91.05465	1.3
93.07034	1.4
93.67900	0.4
94.06580	0.4
95.04945	1.2
95.08614	1.2
95.18880	0.4
97.02892	0.9
97.06544	0.6
98.98472	2.8
99.08073	0.5
99.89806	0.3
104.10737	100.0
105.07039	1.0
105.11086	0.4
107.08556	0.5
107.41071	0.4
109.06552	0.5
114.09168	0.4
115.05447	0.4
119.08575	1.1
122.06040	0.6
123.08057	0.5
124.99998	24.5
126.09090	0.5
129.07063	0.4
131.08569	0.6
133.10123	0.8
143.01044	0.5
145.04965	0.5
146.06107	0.4
147.11668	0.5
157.10095	0.6
157.12273	0.4
184.07327	84.5
193.12242	1.0
207.13789	0.4
211.13229	0.4
235.13359	0.8
244.18298	0.4
253.14377	1.0
258.11002	0.6
288.05832	0.6
306.05688	0.5
306.15634	0.5
341.08948	0.6
380.19687	0.7
450.16473	0.6
450.22473	7.4
468.23584	50.6
469.24310	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	468.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18624	0.2
53.90049	0.2
55.05514	0.3
56.05033	0.3
57.03441	0.4
58.06366	0.2
58.06623	0.5
60.08166	6.2
61.02930	0.2
61.18701	0.2
64.37121	0.2
67.05502	0.6
67.48377	0.2
69.03410	0.3
69.07062	0.3
70.06589	0.6
71.04988	0.7
71.07370	2.3
71.63741	0.2
72.08153	0.3
79.05483	0.7
81.03393	0.5
81.07068	1.0
83.04969	0.4
83.08598	0.3
84.04517	0.4
85.02909	1.6
86.09707	30.6
91.05469	0.7
93.07034	0.7
95.04923	0.2
95.08611	0.8
97.02892	0.3
98.20708	0.5
98.98468	2.1
99.04437	0.2
102.05516	0.2
104.10741	3.4
105.07050	0.6
105.29057	0.2
107.08604	0.3
112.37467	0.2
116.67827	0.2
116.98637	0.2
119.08598	0.4
120.08112	1.2
121.10159	0.5
122.09692	1.3
125.00005	19.7
127.03901	0.2
130.06511	0.2
131.08635	0.3
135.08098	0.2
136.07617	0.4
139.11185	0.3
143.01067	0.4
147.11694	0.2
149.09631	0.2
150.09148	3.3
163.08580	0.3
164.07156	0.3
165.07463	0.2
184.07341	100.0
185.07686	0.9
185.45331	0.2
218.06848	0.2
227.16570	0.3
241.95549	0.2
256.82474	0.2
264.13300	0.2
288.05997	0.3
288.14243	0.5
289.15408	0.5
290.06403	0.8
292.06775	0.3
292.12952	0.4
305.15085	0.2
306.15497	0.5
307.12671	0.8
307.16534	0.8
309.15656	0.7
337.15060	0.3
450.22638	1.1
468.23615	8.2
469.17487	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	468.187
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.01847	0.5
55.05481	1.0
57.03441	3.6
61.02894	1.6
66.65552	0.5
69.03440	2.7
70.06562	0.5
71.01330	0.8
71.04997	14.0
71.19685	0.8
71.20026	0.9
71.79494	0.5
73.02872	2.3
75.04440	1.5
77.03873	0.6
81.03390	1.3
83.04934	2.4
84.04470	0.6
85.02911	22.4
87.04417	1.9
97.02852	2.1
99.04432	1.2
109.02873	0.7
111.04399	1.3
115.05402	1.8
125.99590	0.6
127.03900	0.9
129.05463	2.1
130.06552	1.4
131.80701	0.5
132.08020	2.3
142.06526	20.0
142.08601	1.1
143.07330	4.2
144.08086	7.4
145.06413	0.8
147.06528	0.6
149.06000	0.7
158.05968	1.3
159.06760	1.0
160.07591	48.8
179.03416	1.1
202.08569	0.8
237.02798	0.6
274.07748	2.3
305.46863	0.7
322.12866	100.0
323.13113	1.2
468.18726	31.8
469.18671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84844	0.2
55.05525	0.6
56.96560	0.4
57.03437	0.3
57.07086	0.3
60.34261	0.2
67.05502	0.9
69.03431	0.8
69.07047	0.8
70.06592	0.4
70.47920	1.0
71.04987	0.3
71.08644	0.4
79.05498	0.7
80.05010	0.4
81.03431	0.4
81.05773	0.3
81.07064	1.8
83.04984	0.3
83.08612	0.3
85.02904	1.2
86.09718	0.2
87.01301	0.3
91.05487	0.5
91.22455	0.2
93.07021	1.2
94.06576	2.8
95.04977	0.5
95.08604	1.0
96.08135	0.3
97.02892	0.7
97.06543	0.5
98.06061	1.1
99.08099	0.9
101.02380	0.3
105.07022	1.3
106.06567	1.2
107.04978	0.3
107.07342	8.7
107.08590	1.2
108.04480	2.6
108.08106	0.9
109.06524	0.4
109.10154	1.1
110.10473	0.3
119.08593	0.9
120.08909	0.3
121.06513	0.4
121.10199	0.7
122.09673	100.0
123.10589	1.9
123.11728	0.3
124.07612	1.7
127.03931	0.9
131.08543	0.3
133.10167	0.6
135.06812	0.4
135.11745	0.3
136.07587	5.0
138.09145	0.8
140.07060	0.5
145.04970	0.3
145.10115	0.7
148.11203	0.4
150.05542	1.8
150.09149	6.8
150.10338	0.4
151.09969	2.1
152.07051	1.0
159.11713	0.4
163.11171	0.5
168.06548	1.8
170.08154	3.0
174.09126	1.1
176.10715	1.9
176.54059	0.3
181.12357	0.2
185.15376	0.5
198.11522	0.4
201.16328	0.5
202.08665	0.3
202.16737	0.5
204.10184	0.3
225.13980	0.4
226.14630	0.3
227.15466	1.3
227.17461	0.3
229.13435	0.3
253.13396	0.3
255.14931	1.1
265.11853	1.1
271.15463	1.0
272.15305	0.6
273.15976	0.9
281.15067	0.3
283.14490	1.4
319.12848	0.4
331.09360	0.6
412.22540	0.4
440.21851	27.8
441.22223	1.0
450.20306	1.8
462.55740	0.3
468.21384	8.4
469.21094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	9.0
57.07072	31.3
67.05502	82.8
69.07066	6.8
69.34788	32.4
71.08632	19.5
79.05484	3.6
81.07058	25.1
83.08612	12.2
85.10191	9.6
91.05470	5.1
93.07034	3.3
95.08613	21.8
97.10157	4.0
107.08601	3.5
109.10146	60.4
119.08579	4.9
123.11639	5.7
137.09647	3.8
155.10735	3.5
173.11760	21.9
194.89035	3.4
239.23660	4.6
386.09464	3.5
467.37317	100.0
468.38046	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	467.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	9.7
57.07078	22.4
63.46530	3.4
67.05504	68.8
67.05863	3.9
69.07061	6.7
71.04987	3.7
71.08635	20.5
71.60528	3.7
71.61037	4.7
79.05484	4.8
81.07052	24.7
83.08604	9.0
83.54285	2.7
85.10179	9.6
87.21620	3.0
91.05492	32.7
95.08601	24.5
97.10166	6.2
105.07011	8.2
107.08601	4.0
109.10158	60.7
119.08629	3.4
123.11739	3.4
133.10130	72.5
137.09599	4.4
147.08055	6.6
161.18520	3.1
173.11745	17.8
220.04855	3.1
239.23647	5.6
467.37436	100.0
468.37637	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	467.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01869	1.2
56.96555	0.8
60.04518	0.7
61.02917	2.0
63.01516	0.7
63.41566	0.6
65.82900	0.6
66.26437	0.7
67.05489	1.9
68.93344	0.6
69.03430	5.4
69.07064	1.9
69.91292	1.1
69.91704	2.9
70.06577	3.0
71.04998	1.5
72.08156	1.9
73.02912	1.8
79.05477	0.9
81.03394	2.2
81.07043	1.2
84.08143	1.2
85.02899	8.1
86.09701	1.4
91.05472	2.3
93.07063	1.8
94.06553	3.8
95.04929	1.0
96.08141	1.9
97.02912	3.3
97.06525	1.4
98.97565	1.4
99.04440	0.8
105.07016	1.0
106.06593	0.9
108.08082	1.8
109.02958	0.7
110.09653	3.7
113.12069	0.7
118.06567	2.0
119.04938	2.2
120.08105	4.2
122.05994	2.6
123.06777	1.0
124.07582	2.6
127.03922	1.7
133.10094	0.9
134.06027	0.8
136.07570	2.6
138.08119	1.3
138.09135	16.8
140.07060	20.8
141.50687	0.6
145.04974	0.8
146.06000	1.8
147.04393	7.0
148.07610	3.8
160.07570	1.4
164.07045	3.1
166.08632	28.9
168.08289	0.8
176.07039	2.6
182.08136	1.3
184.10042	0.7
185.07037	0.8
188.10649	0.9
195.09120	0.9
196.11215	1.3
199.08597	1.4
211.08664	2.9
212.09373	11.4
213.10251	4.5
213.13904	0.9
214.12285	1.8
216.10130	4.7
217.10994	2.7
217.85732	0.7
218.11781	5.6
219.01787	1.0
223.12318	2.5
225.10217	3.0
226.10930	4.1
227.11835	1.8
229.90126	0.6
232.13324	1.5
237.02850	1.5
239.11882	0.8
240.08791	1.5
240.12436	3.2
241.09776	1.5
241.13377	7.0
242.11736	2.6
243.14960	1.8
246.11281	6.9
254.10223	0.8
255.11328	3.3
256.12125	5.1
257.03360	0.9
259.14465	3.7
260.12799	11.2
261.16150	0.6
269.12857	22.0
270.11288	1.1
273.06378	0.7
274.13086	3.5
277.15463	1.9
279.03751	1.2
287.10846	0.7
287.13901	13.7
288.12186	4.0
288.60959	0.7
305.14941	100.0
306.15155	1.5
425.07489	0.8
458.16302	1.1
466.66089	1.8
467.15848	2.1
467.66501	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2649
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40672	0.6
55.05511	1.1
57.03429	2.9
57.07061	2.0
61.02931	1.0
63.26280	0.6
65.03890	0.6
66.64518	0.7
67.05504	4.1
69.03429	11.7
69.07063	4.4
69.33892	4.8
69.34320	2.7
70.06567	0.6
71.04982	0.8
73.02914	3.9
73.53780	0.6
73.89278	0.8
79.05492	7.6
81.03423	2.0
81.07056	100.0
82.07417	0.9
83.04984	0.8
85.02902	14.9
85.06632	0.6
87.04469	6.1
91.05474	1.6
93.07038	2.5
95.04958	1.0
95.08607	17.7
97.02892	13.2
97.03511	0.8
97.06537	2.0
98.20693	1.1
99.04462	1.4
103.04005	0.6
105.07024	1.9
106.07268	0.8
106.44682	0.7
107.08617	1.7
109.02844	0.9
109.10146	2.5
115.03933	15.5
119.08589	1.4
119.78593	0.6
121.06510	0.6
121.10121	0.8
127.03889	3.5
131.08539	1.1
131.81996	0.7
133.04964	17.4
133.10155	1.2
137.13258	23.0
145.04939	4.2
150.07681	1.6
163.06049	2.0
185.97089	0.7
209.68039	0.7
223.06195	0.9
259.08102	3.4
269.17365	1.3
277.09247	1.3
280.14734	0.7
295.10370	2.7
353.52612	0.7
430.30267	0.9
466.20139	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	466.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.2
53.71936	0.5
55.01860	2.0
55.05505	1.8
57.03439	3.7
57.07077	2.9
59.04985	0.5
61.02924	4.0
67.05509	5.3
69.03429	7.8
69.07072	4.9
70.99480	0.6
70.99779	0.8
71.01346	1.3
71.04965	0.5
73.02506	0.9
73.02914	18.6
79.05495	9.7
79.05954	0.6
80.38622	0.5
81.03424	1.8
81.07056	100.0
83.08657	0.6
84.08926	0.5
85.02905	25.4
87.04448	1.0
91.03957	1.1
91.05494	1.1
93.07037	2.1
93.14961	0.5
95.04984	1.0
95.08604	20.7
97.02889	16.9
97.06510	1.4
99.04477	1.5
103.03918	1.1
105.07015	1.2
108.02814	0.5
109.02885	1.7
109.06538	0.6
109.10153	2.8
115.03931	8.6
119.08585	1.0
121.10138	0.7
123.08102	0.6
127.03914	9.1
131.08655	0.6
133.04967	12.6
133.10127	0.9
135.11676	0.6
137.13249	25.1
145.04965	12.5
150.07639	1.4
155.14323	0.6
159.11729	0.7
163.06010	5.8
193.05107	0.8
201.16356	1.4
217.07030	1.3
223.06075	2.1
241.07042	2.6
259.08115	6.0
262.61142	0.5
263.16620	0.5
269.17386	0.9
277.09259	1.3
295.10242	3.8
454.25882	0.6
466.12112	0.6
466.20193	1.4
466.32040	1.1
471.81140	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.1
53.23905	1.2
53.92170	1.2
55.05519	9.1
57.07070	2.9
67.05177	1.4
67.05510	20.1
69.06721	1.7
69.07075	26.6
69.27866	1.0
70.86248	1.1
70.86597	3.1
71.08618	2.5
78.79249	1.0
79.05500	4.4
81.06643	1.8
81.07067	23.3
83.08619	8.5
85.10179	1.2
91.05493	5.2
93.07039	10.0
95.04932	1.5
95.08615	33.4
97.10171	4.1
105.07016	8.4
107.08604	15.0
109.10163	35.4
111.11691	1.2
117.07021	2.3
119.08587	14.5
121.10143	12.5
123.11708	6.1
129.06987	1.7
131.08566	5.8
131.23831	1.0
133.10129	11.2
135.11702	6.9
135.12595	1.0
137.13246	4.2
141.06993	2.0
142.07777	1.5
143.08563	4.4
144.09409	1.3
145.10132	10.6
147.11710	6.0
149.13274	5.7
151.14873	1.8
155.08568	4.6
156.09378	3.6
157.10156	12.8
157.69637	1.1
158.10934	1.4
159.11699	12.4
161.13251	6.3
163.14822	1.7
168.09375	2.4
169.10124	8.9
170.10919	2.4
171.11710	15.4
173.11836	2.8
173.13307	6.5
175.14844	2.7
177.16425	5.1
181.10164	2.6
182.11023	2.5
183.11732	11.7
185.13283	10.9
187.14854	6.6
189.16370	1.3
195.11700	3.7
196.12437	1.3
197.13277	11.9
199.14857	5.5
201.16397	3.7
209.13300	4.8
210.13989	2.5
211.14848	6.3
213.16377	4.2
215.17827	1.7
223.14757	1.8
224.15631	6.6
225.16379	6.4
227.17908	8.0
229.19524	1.4
237.16466	2.5
239.17952	30.0
241.19583	4.2
253.19461	6.7
255.21036	6.5
257.22391	1.2
267.21185	2.3
269.22681	2.2
279.21246	1.8
281.22751	3.8
283.24182	2.2
285.10080	1.9
293.22528	1.5
299.20032	7.9
301.21674	1.3
313.21472	5.0
323.27374	2.7
324.11569	1.5
327.23367	1.4
341.24771	5.4
381.27902	1.4
383.29669	1.8
405.35190	28.1
406.35687	1.7
465.37259	100.0
466.37585	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.9
55.01859	6.7
55.05510	32.7
57.03444	15.0
57.07057	4.3
65.03937	4.3
66.69282	1.9
67.05504	93.7
69.03414	5.6
69.07065	26.0
71.01351	2.9
71.04987	9.4
71.21036	5.0
75.20457	1.7
76.83676	2.1
79.05495	100.0
81.03424	16.7
81.07056	75.5
83.04981	29.8
83.08617	10.8
85.02888	6.5
85.06532	5.5
87.04465	3.9
91.05479	68.1
93.07046	85.6
95.04970	62.4
95.08602	30.0
97.02859	2.9
97.06525	18.9
97.10161	11.9
99.08076	3.1
105.07035	38.4
107.04935	10.1
107.08592	64.2
109.06519	15.1
109.10152	14.2
109.87450	2.0
111.04441	4.8
111.08073	4.0
113.06012	2.7
115.05457	3.4
117.06984	11.5
119.08585	27.0
121.06525	3.3
121.10136	15.4
123.08067	7.2
123.11693	4.7
125.09625	7.2
125.25980	1.8
129.07005	11.5
130.07632	2.1
131.08583	13.8
133.06506	4.1
133.10129	25.7
135.08084	14.5
135.11685	62.1
135.12715	4.0
137.09619	4.8
143.08562	3.2
145.10114	14.2
147.08113	3.8
147.11687	19.6
149.09579	10.4
151.11182	15.1
153.01787	2.4
153.12735	3.8
157.10133	13.6
159.11658	3.1
163.11150	18.2
165.12712	9.5
175.11238	14.6
181.12241	14.3
193.12238	26.7
199.11508	2.2
199.13205	4.4
210.38722	1.7
211.13274	18.1
213.54448	1.8
219.13802	2.9
222.15306	1.7
253.14458	2.7
255.16014	10.8
267.15900	19.5
287.05515	4.5
289.06131	3.8
355.22693	2.8
373.23688	7.3
391.24973	2.4
447.27554	16.2
465.28506	98.9
466.29218	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	465.285
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01860	5.4
55.05514	22.1
57.03434	14.8
57.07058	1.7
65.03926	2.3
67.05504	50.4
69.03441	4.3
69.07065	17.6
69.57128	12.9
71.01360	2.1
71.04987	6.8
79.05495	48.1
81.03418	40.3
81.07058	46.4
83.04976	14.3
83.08623	17.8
85.02908	21.9
85.06529	3.7
91.05482	40.4
93.07045	51.7
95.04964	31.9
95.08600	21.1
97.02866	3.0
97.06526	13.9
97.10179	12.1
99.04478	2.3
99.08072	2.7
105.04546	2.0
105.07034	24.8
107.04970	8.4
107.08590	34.3
109.06516	6.0
109.10149	11.4
111.04457	2.4
111.08088	6.7
113.05986	1.7
115.05447	3.5
117.07008	7.2
119.08593	18.1
121.06502	5.7
121.10143	13.6
123.08084	5.2
123.11689	3.6
125.05964	1.9
125.09621	2.9
128.06224	1.9
129.06990	9.9
131.08577	9.5
133.06512	2.7
133.10127	14.1
135.08075	3.9
135.11699	34.2
137.09616	4.0
142.07745	3.8
145.10101	12.1
147.11667	13.1
149.02289	4.4
149.09628	5.5
157.10182	10.9
159.11708	4.3
163.11137	8.9
165.12817	2.2
171.11749	1.7
173.13252	2.9
175.11169	13.2
177.12738	1.7
181.12239	7.5
185.13181	1.9
189.11243	3.0
191.10699	2.4
193.04915	4.3
193.12234	34.5
194.05301	1.7
211.13287	50.8
237.07545	3.4
238.07928	2.1
255.15904	10.6
267.15912	8.4
287.05414	3.9
289.05957	4.9
329.21140	5.1
340.87582	1.9
347.22195	2.7
355.22867	2.8
373.23859	7.8
391.24960	1.8
403.24634	2.8
421.25916	4.3
429.30429	2.6
430.12225	3.1
447.27469	20.6
465.28488	100.0
466.28833	2.9
468.72598	2.1
487.18985	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	465.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	7.6
53.99554	2.9
55.01872	6.6
55.05510	27.0
57.03448	18.5
57.07071	3.4
61.02964	3.5
64.68674	3.2
65.50457	2.8
67.05506	74.3
69.03414	4.8
69.07074	17.9
71.04995	8.5
71.59949	4.2
71.79227	3.0
79.05497	63.7
81.03421	54.0
81.03857	4.9
81.07054	47.5
83.04977	21.8
83.08608	18.8
85.02910	23.6
85.06541	5.6
91.05485	49.2
93.07050	59.4
93.74517	2.9
95.04972	54.3
95.05563	4.8
95.08584	21.7
97.06535	11.3
97.10165	19.2
99.08119	2.7
105.07034	30.8
107.04980	9.0
107.08593	35.1
109.06523	7.4
109.10168	11.0
111.08105	10.9
115.05510	3.2
117.07063	10.3
119.08578	23.2
121.06517	7.7
121.09422	2.9
121.10114	16.6
123.11720	3.2
125.09600	3.9
129.07019	11.2
131.08572	17.0
133.06456	4.1
133.10139	12.9
135.08102	4.3
135.11687	42.2
136.98053	3.3
137.06009	3.7
142.07860	4.8
145.10144	14.7
147.11714	12.4
149.02388	4.6
149.09619	8.0
151.11369	3.1
153.12740	3.8
157.10185	12.4
159.11717	6.5
161.76566	3.1
163.11211	9.9
175.11160	15.7
177.12775	3.6
181.12312	6.7
193.05048	9.0
193.12233	42.8
211.13268	46.3
211.39500	2.9
218.51231	3.0
237.07544	4.8
255.16006	6.4
267.16006	11.7
287.05585	4.3
289.06152	5.2
303.05017	5.0
329.21136	8.5
373.23862	9.1
403.24957	6.5
421.25562	5.5
429.26657	4.3
447.27451	27.5
465.28540	100.0
466.31543	12.7
473.10229	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	465.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43695	2.6
53.03936	4.3
55.01860	3.5
55.05510	34.1
56.96557	3.4
57.03430	15.6
59.05004	3.2
61.02917	2.9
65.03920	3.4
66.12322	2.5
67.05504	70.6
69.03427	7.4
69.07061	19.8
69.95725	10.1
69.96129	4.6
71.04978	8.0
79.05489	61.7
81.03417	34.6
81.07050	52.0
83.04967	17.9
83.08637	17.5
85.02898	18.4
85.06543	3.5
91.05475	43.7
93.07039	48.0
95.04961	82.7
95.08608	23.8
97.02914	3.9
97.06549	11.8
97.10174	10.8
105.07020	24.1
107.04977	13.3
107.08582	33.3
108.62699	3.0
109.06514	8.6
109.10143	14.1
111.04472	2.4
111.08096	7.6
117.07005	14.9
119.08585	24.3
121.06521	10.7
121.10170	16.3
123.08054	6.8
123.11697	2.6
125.06003	3.3
125.09615	8.0
129.07007	10.1
131.08536	15.6
133.06480	3.9
133.10107	14.1
135.08047	7.6
135.11685	31.6
137.09619	4.6
143.08620	3.9
145.10124	15.7
147.07985	3.1
147.11711	11.9
149.09644	7.7
149.13261	3.4
151.07529	3.6
153.01779	2.7
155.08578	3.0
157.10144	11.3
159.11722	8.6
161.09578	3.1
163.11180	9.8
165.12679	3.7
175.11214	11.7
181.12228	6.0
187.11171	6.7
189.11238	8.2
193.12219	33.1
205.12343	6.2
211.13240	44.7
211.14957	3.4
223.13356	4.1
249.71056	2.9
255.15825	13.5
261.14786	4.0
267.16016	9.3
287.05481	5.1
288.05881	4.7
289.06049	6.8
311.20087	3.2
329.21161	16.8
347.22278	7.7
355.22690	6.5
373.23755	30.4
403.24976	8.9
421.25845	11.5
447.27551	37.1
465.28528	100.0
466.29007	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	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01856	0.3
65.03938	0.6
67.05501	1.0
69.03424	0.6
69.07049	0.9
69.98081	1.2
69.98511	0.4
70.06587	0.5
70.37560	0.2
79.05505	0.6
81.03432	0.4
81.07047	1.9
85.02895	0.8
85.06528	0.4
86.09661	0.3
91.05465	0.8
92.04979	0.9
93.07031	1.3
95.04991	0.4
95.08598	0.9
97.02898	0.5
97.06500	0.4
104.79092	0.3
105.07012	0.9
107.08577	1.1
109.02847	0.4
109.06499	0.7
109.10153	1.0
111.52039	0.3
119.08598	0.6
120.04469	0.3
121.10119	0.6
122.09660	0.5
123.11749	0.3
129.06970	0.3
131.08531	0.4
133.10146	0.9
134.05928	0.3
134.10561	0.3
135.07961	0.4
135.11765	0.3
137.05937	0.3
138.05501	14.2
138.09134	6.3
147.11693	0.6
150.09129	1.0
150.57030	0.3
157.10110	0.6
159.11702	0.4
161.13235	0.4
166.04996	19.8
167.05411	0.6
171.11647	0.3
184.11166	0.5
186.12837	0.4
196.09921	0.4
201.10262	0.6
201.13683	0.3
205.06264	0.2
210.08119	0.3
211.12219	1.4
212.10748	1.4
213.11688	0.3
213.13884	0.4
214.12363	2.5
216.10330	0.3
228.08920	0.4
229.09645	0.5
229.13324	1.7
230.11852	1.4
232.13348	2.4
239.11810	1.2
240.10170	1.0
241.13286	0.9
242.09868	0.3
242.11810	2.9
243.11301	0.8
244.09789	0.3
256.08331	1.2
256.11118	0.3
257.09311	1.2
257.12814	8.3
258.11310	0.3
259.11960	0.8
259.14496	0.5
260.12799	2.8
267.11258	1.1
268.09698	0.4
272.11542	9.8
273.11954	0.5
274.09464	6.2
275.10233	0.9
275.13876	5.0
285.12332	11.9
285.17072	0.8
286.10693	1.1
287.05368	1.3
288.05902	0.7
289.06113	1.8
303.13376	100.0
304.13754	3.2
322.09232	0.4
340.10126	1.0
465.18616	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	465.1871
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	2.8
55.05504	2.8
57.03430	3.6
57.07061	3.7
61.02941	2.4
65.03986	0.9
67.05497	2.6
67.28038	1.2
69.03433	8.6
69.07058	3.7
70.06587	4.0
71.04991	2.1
71.60648	1.4
72.08129	2.1
73.02915	5.9
79.05456	2.5
81.03423	5.7
81.07075	5.3
82.06600	1.3
83.04978	3.1
85.02910	17.0
85.06543	3.3
86.09696	3.0
91.05470	2.4
93.07032	1.8
94.06555	3.5
95.04950	1.4
97.02890	6.9
99.08080	3.3
106.06584	1.2
107.04968	1.3
107.08577	0.9
109.02909	2.2
109.06539	1.0
109.10152	1.7
110.06039	4.1
112.07694	1.2
118.06586	1.2
120.04459	7.1
120.08131	4.8
122.06033	3.9
123.06671	0.9
124.07617	5.8
127.03905	2.4
131.04939	2.1
132.08093	1.3
133.06451	1.1
134.06018	3.9
135.08072	2.4
137.06006	1.4
137.09663	1.2
140.07072	9.8
141.07835	8.4
142.08646	20.5
142.09727	1.3
145.04988	3.2
146.06050	1.7
148.07570	3.0
152.07098	1.1
153.12756	3.8
154.08659	3.3
155.14291	6.3
158.06021	1.2
158.97382	1.8
160.07526	1.1
161.06020	1.3
162.05508	100.0
163.06137	1.2
164.07146	2.1
170.01097	1.2
171.13847	1.4
174.07901	1.8
178.08653	1.9
187.08737	1.3
194.08101	2.7
201.10246	2.4
202.08662	1.2
213.10335	2.1
214.08728	1.7
214.10921	1.2
215.11838	3.0
216.06711	1.0
216.10233	2.7
216.98019	1.7
225.10194	1.3
226.08708	1.4
227.08287	1.5
227.11792	2.8
229.09735	2.8
229.13382	1.6
234.98990	10.2
239.11743	2.4
241.09837	3.2
242.10454	1.3
243.11316	5.0
244.09734	2.5
253.00235	1.7
253.13589	1.6
255.11325	5.0
256.11719	1.1
257.12924	3.6
258.11368	3.2
261.12360	7.6
267.11462	1.6
268.12500	1.1
269.09845	0.9
269.12997	3.1
273.12360	2.1
275.02185	3.2
279.13422	5.5
281.12802	1.7
283.10834	2.2
285.12521	6.5
286.10748	3.8
287.13965	4.3
289.06470	1.1
297.12332	3.7
299.13913	9.6
302.12701	1.4
303.13391	85.9
304.13867	1.2
315.13382	20.8
316.14224	12.5
317.14764	2.6
321.14398	1.3
335.04150	5.7
337.15311	1.4
343.13028	3.1
344.16327	1.7
345.14212	1.0
357.14505	3.7
365.15097	1.5
375.15417	6.7
379.06876	4.6
381.14706	1.7
383.15924	2.2
387.15753	2.1
393.14624	3.1
399.15585	7.8
411.15463	6.4
419.17859	1.6
429.08099	1.1
429.16525	18.2
447.11328	2.1
447.17639	46.1
465.18732	89.7
466.19095	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	465.1371
Annotation	Keyakinol
Peak:m/z	Relative Intensity
55.05508	0.7
67.05492	1.3
69.03428	0.9
69.07069	1.3
70.05173	1.9
70.05585	0.8
71.05006	0.5
79.05482	0.9
81.07060	2.5
85.02900	1.2
88.93301	0.4
91.05489	1.0
91.99753	0.4
93.07055	2.0
95.04989	1.1
95.08615	1.4
96.38138	0.4
97.02893	0.8
97.06518	0.5
98.20782	0.5
105.07051	1.1
107.08596	1.3
109.06543	0.4
109.10167	1.8
119.08595	0.9
121.10156	1.4
123.08058	0.5
125.09681	0.6
129.86394	0.4
131.08615	0.5
133.10117	1.0
135.08028	0.4
135.11716	0.6
145.10114	0.9
147.11693	0.8
149.09618	0.4
149.13242	0.6
154.33261	0.4
157.10103	0.9
159.11668	0.5
161.09584	0.5
167.03171	0.5
173.13191	0.5
201.05283	1.4
214.61768	0.4
216.07585	10.7
217.08348	8.0
222.04330	0.4
227.05237	1.0
235.09540	0.4
238.06937	0.9
256.08026	1.4
257.04449	0.5
271.04291	2.8
287.05499	0.8
288.05841	1.0
289.06049	1.1
293.08575	0.4
295.10132	2.0
307.10172	0.4
337.29825	0.5
340.10437	0.6
349.11337	0.5
364.10229	0.6
379.13657	4.2
421.14706	30.3
422.14890	1.0
429.30673	0.4
465.13705	100.0
466.14172	3.0
483.11786	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
68.87922	0.2
69.03431	0.2
69.32906	0.2
70.00179	1.2
71.04988	0.2
72.08141	0.2
81.03381	0.4
81.07037	0.3
82.72395	0.2
85.02917	0.5
86.09682	0.6
86.16843	0.3
95.01315	0.3
95.08595	0.3
97.02867	0.6
98.21390	0.4
114.05527	0.4
117.03363	0.3
123.00814	1.8
127.03917	0.3
133.06343	0.2
135.04417	2.1
137.02319	1.6
141.01787	0.4
151.03864	0.4
151.52495	0.2
153.01826	3.9
169.01357	1.6
173.05980	0.4
190.08615	0.4
201.05376	0.6
205.04977	0.3
219.02885	0.3
229.04939	3.5
231.06476	0.4
245.04451	0.8
257.04453	4.8
257.12906	0.4
259.06024	5.2
261.04102	0.3
262.14413	0.3
275.05487	3.0
285.03967	5.2
285.12241	0.6
286.04346	0.4
287.05515	1.8
288.05798	0.5
289.06107	0.8
303.04990	100.0
304.05331	2.7
465.10098	0.8
465.18152	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20235	2.7
55.01859	4.4
55.05507	6.2
57.03442	6.1
60.04521	8.9
61.02929	5.2
61.90553	2.7
63.77304	3.0
66.20388	2.9
67.05512	11.3
69.03433	13.0
69.07062	6.8
70.06609	14.6
71.04990	10.8
71.58535	5.7
72.08151	7.5
73.02909	6.1
74.06093	4.1
76.04001	3.2
79.05482	20.6
81.03420	6.5
81.07065	16.3
83.04997	4.0
84.04519	6.8
84.08141	3.7
85.02911	29.1
85.45082	2.5
86.09719	7.2
91.05491	11.4
93.07054	13.2
95.04960	11.2
95.08607	5.5
97.02911	11.5
97.06537	6.7
98.97604	4.1
105.07041	11.9
107.04939	6.0
107.08605	7.9
109.04006	3.9
109.06539	10.2
109.10156	5.7
111.04399	3.5
115.03980	2.8
116.07115	4.9
116.98644	5.8
117.07043	4.9
119.04932	3.2
119.08591	10.8
120.08141	3.8
121.06528	9.7
121.10141	8.1
122.98854	2.7
123.08085	15.3
125.06042	4.6
125.98608	2.7
127.03994	5.7
129.06996	9.2
131.08588	11.8
133.06473	4.0
133.10149	8.0
135.08044	4.2
135.11684	3.5
136.07628	5.2
141.05519	3.3
142.07806	16.2
143.08554	4.5
145.04900	3.4
145.06485	5.8
145.10136	7.8
147.08099	4.4
147.11673	4.1
153.12820	4.4
157.10126	29.9
159.11726	25.1
161.09674	6.4
169.10156	3.3
170.07182	4.3
175.11168	22.6
177.00682	5.3
181.08624	13.1
185.09628	45.0
187.11192	39.6
189.00737	5.8
191.14299	3.5
203.10672	100.0
213.09106	39.6
221.11725	23.8
231.10179	69.6
237.02835	4.3
249.11243	59.8
261.09961	8.7
267.12344	18.7
269.10730	7.6
279.10632	4.3
284.18661	3.1
287.05515	10.4
288.05856	27.2
289.11282	11.8
291.03757	3.3
302.19785	4.2
303.13385	3.0
389.14993	4.8
428.02084	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	464.213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.3
55.01874	0.5
55.05303	0.4
55.05515	3.5
57.03415	0.5
57.07075	2.3
61.02935	0.5
64.19273	0.4
67.05482	1.4
69.03426	2.3
69.07053	1.4
71.04958	0.4
71.11806	0.4
71.12115	0.7
73.02913	0.4
79.05478	1.2
81.03412	2.4
81.07053	2.3
82.07388	0.5
83.04985	2.1
85.02907	4.0
85.06531	1.6
87.00854	2.3
91.05477	1.5
93.07036	3.9
95.04956	0.6
95.08598	3.7
96.08954	0.4
97.02899	2.7
97.06508	1.6
99.04456	1.1
105.01896	2.2
105.07053	1.5
107.07940	0.6
107.08598	5.5
109.02897	3.8
109.06530	1.0
109.10144	1.2
111.04442	27.5
111.08062	1.3
112.04659	0.4
113.05991	0.4
116.10739	0.7
117.07020	0.6
119.08624	0.9
121.06484	0.7
121.10142	0.8
123.08081	0.4
125.05997	9.7
125.06896	0.3
127.03931	3.6
127.07559	0.7
133.10062	0.5
135.08063	4.3
135.11688	7.9
137.13264	0.6
139.07559	1.0
145.04948	1.3
145.10120	5.9
147.11635	0.5
153.12735	2.5
159.02835	0.7
163.11176	8.7
181.12233	100.0
182.12579	0.9
188.92526	0.4
198.24983	0.4
199.13290	8.9
207.34752	0.4
213.03848	0.9
231.04967	1.9
287.05496	2.4
288.05832	5.0
302.19577	1.0
357.75568	0.5
464.24625	0.5
479.77213	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.4
55.05508	0.6
56.05024	0.7
57.03445	0.4
61.02915	0.3
66.92670	0.3
67.05497	1.2
68.99786	0.6
69.03434	1.6
69.07055	1.0
70.06614	1.4
71.58184	0.5
72.08134	0.9
73.02918	0.7
74.86313	0.2
79.05481	1.5
81.03405	0.9
81.07049	2.3
83.04993	1.9
84.04523	0.3
84.08134	0.8
85.02905	3.5
86.06062	0.4
86.09702	1.6
91.05486	1.6
93.07030	2.3
95.04966	1.5
95.08595	2.1
97.02900	0.5
97.06527	0.7
99.04461	0.5
101.06015	0.4
105.07027	2.5
107.04969	0.8
107.08585	2.1
109.06500	1.4
109.10135	0.5
111.04476	0.3
111.08104	0.7
113.02352	0.3
113.05995	0.9
114.09183	0.6
115.05460	0.3
116.10752	0.3
117.06977	0.4
119.04931	2.4
119.08558	0.9
120.05270	1.4
120.08108	0.8
121.02864	3.3
121.06526	1.5
121.10128	0.7
122.03178	1.2
123.00793	1.5
123.08108	0.5
124.01136	0.9
125.06062	0.4
127.03914	0.5
129.05475	0.7
129.06976	0.4
129.10214	0.4
131.08566	0.9
133.06491	0.3
133.10143	1.0
135.04428	0.5
135.08037	0.3
135.11665	0.3
136.08429	0.3
137.02367	0.3
137.05972	1.1
139.07428	0.3
141.01816	0.7
141.05470	0.5
141.15630	0.3
142.07747	0.8
142.08694	0.3
143.08501	0.5
145.02782	0.4
145.10120	1.2
147.07970	0.3
147.11674	1.2
153.01811	1.9
154.02196	0.4
157.06453	0.4
157.07574	0.3
157.10107	2.5
158.07999	0.3
159.06512	0.6
159.08049	0.4
159.09274	0.4
159.11708	1.1
161.09561	0.4
163.03941	0.4
163.11160	0.8
165.01900	0.3
169.01341	1.4
169.10139	0.3
170.01700	1.1
171.08038	0.4
175.08690	0.4
175.11224	1.2
181.12263	1.6
185.09610	2.0
187.11108	0.4
189.09045	0.4
193.12231	1.0
203.10704	2.6
212.23087	0.3
213.09081	1.0
214.05963	0.3
217.04994	0.5
218.05356	0.5
221.11714	2.6
231.10237	1.1
232.06848	0.4
238.21883	0.3
239.12840	1.0
241.04977	1.2
242.05310	2.9
243.06369	0.6
245.04469	0.6
246.04787	0.7
249.11142	1.6
259.05908	0.9
260.06396	0.8
266.24777	1.3
267.12393	1.5
269.04514	1.1
270.04749	2.9
271.06012	4.6
271.17474	0.5
272.06363	0.4
284.25760	1.8
285.13199	1.5
287.05493	43.1
288.05826	100.0
289.06070	7.4
302.19592	0.4
302.23260	0.7
302.26868	3.7
303.04950	0.8
305.13208	0.6
464.08929	3.1
464.25595	0.7
464.32220	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	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.5
55.01873	5.9
55.05510	19.7
56.96543	1.3
57.03442	8.6
57.07064	1.8
58.83548	1.3
59.05006	1.2
65.03916	2.1
67.05507	43.6
69.00190	1.3
69.03418	2.9
69.06779	1.1
69.07074	13.4
70.88326	1.4
70.88663	2.9
71.01358	1.7
71.04997	6.8
72.08144	1.1
73.02924	1.5
79.05495	42.2
81.03426	12.1
81.07059	37.5
83.01334	3.9
83.04983	12.4
83.08620	9.5
85.02902	2.4
85.06516	3.7
88.81359	1.0
91.05482	26.7
93.07043	47.6
95.04975	11.9
95.08619	12.4
97.02909	1.7
97.06525	9.3
97.10164	5.1
99.04416	2.3
99.08074	2.7
103.87721	1.2
105.07033	10.4
107.04970	7.2
107.08596	27.7
109.06490	6.4
109.10164	7.4
111.04447	3.1
111.08066	3.9
117.07023	9.6
119.08569	8.7
121.06501	4.5
121.10153	11.6
123.08046	4.0
123.11675	1.6
125.05942	1.9
125.09605	3.2
129.07016	2.9
130.07817	1.3
131.08553	5.4
133.10144	7.0
135.04364	3.0
135.08081	1.8
135.11694	31.4
137.09616	1.8
145.10136	13.9
147.08031	1.4
149.13298	8.4
151.11198	1.3
153.01831	4.8
153.12737	4.2
159.11708	4.0
163.11179	20.3
177.12657	2.1
181.12212	9.3
195.13809	4.3
209.11754	3.6
219.13794	4.7
227.12787	15.4
253.14320	2.1
265.14368	2.3
287.05499	100.0
288.05817	7.9
351.25198	1.6
428.58051	1.4
445.25522	7.2
463.08652	2.7
463.25946	43.4
463.31085	7.5
464.27057	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	463.2705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01868	2.2
55.05511	8.1
57.03432	3.0
67.05508	19.3
68.99805	0.7
69.03445	1.7
69.07063	5.6
71.01337	0.7
71.05003	1.7
71.08628	1.5
79.05495	15.1
80.05289	0.7
80.49503	0.8
81.03423	4.5
81.07056	13.4
83.04980	3.8
83.08633	3.3
85.02892	1.6
89.21967	0.9
91.05477	9.8
93.07043	20.1
95.04967	5.7
95.08605	10.7
97.02914	1.2
97.06525	3.8
97.10163	3.4
98.21535	1.3
99.04501	0.9
105.07022	6.1
107.04964	5.1
107.08598	12.6
109.06532	1.5
109.10145	4.7
111.08106	1.1
113.00020	2.7
117.07056	4.4
119.08584	5.3
121.06534	1.6
121.10143	4.0
123.08112	1.3
125.06047	1.1
125.09643	0.9
125.67256	0.8
131.08549	3.5
133.10104	4.3
135.08041	1.5
135.11696	15.8
145.10109	8.6
147.08089	1.0
147.11700	1.9
147.63806	0.9
149.13339	1.3
151.11218	2.1
153.01813	4.9
157.10103	1.1
157.64456	0.9
159.11687	1.1
163.11176	11.9
165.09077	0.9
169.02658	0.8
181.12247	3.5
191.10605	0.8
193.12257	1.2
206.29025	0.8
209.11665	1.6
218.86406	0.9
219.13872	0.8
227.12775	24.4
253.14490	1.1
269.12259	0.9
277.21582	3.0
287.05508	100.0
288.05798	9.5
311.12210	0.9
351.25418	5.8
445.25485	1.0
463.08682	4.6
463.26648	24.0
463.36053	1.3
464.27551	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	463.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.6
55.01869	4.2
55.05510	11.6
56.96560	1.1
57.03430	4.0
57.07073	1.0
59.04989	1.4
59.28120	0.7
65.03934	1.6
67.05500	41.5
69.03414	4.1
69.07064	9.9
70.20373	2.7
71.01323	0.8
71.04993	5.3
72.52586	0.8
72.71396	0.7
79.05131	0.5
79.05483	21.9
81.03411	49.4
81.07047	30.7
82.03738	1.0
83.04965	7.6
83.08612	11.6
85.02880	1.7
85.06518	3.9
91.05473	34.1
93.07040	23.3
94.07372	0.8
95.04961	18.3
95.08596	10.4
97.02885	2.2
97.06517	4.9
97.10163	2.9
99.04440	3.0
99.08091	1.8
105.07023	29.0
107.04952	5.0
107.08590	27.5
109.06474	4.0
109.10144	37.9
111.04457	1.4
111.08045	3.8
113.06016	2.5
115.05398	0.9
117.07005	3.6
119.04970	1.0
119.08565	10.4
121.06493	3.5
121.10143	5.5
123.04401	1.1
123.08042	2.1
123.11689	5.9
125.09629	1.6
127.07541	2.4
128.06175	1.6
129.06998	4.9
131.08562	6.0
133.06500	1.8
133.10120	42.5
134.10493	1.2
135.04404	2.1
135.08055	1.2
135.11678	11.5
137.05989	1.2
137.09636	1.4
141.06970	1.1
142.07805	1.5
143.08557	1.7
145.10124	6.0
147.08009	2.2
147.11684	3.3
149.09605	2.1
151.07526	0.9
151.11168	24.9
153.01822	3.6
157.10123	4.2
159.07993	1.2
161.09575	1.4
163.11166	10.0
165.09081	0.8
165.12753	0.9
169.12219	5.7
171.02829	0.8
175.11206	4.3
179.10669	3.0
181.12263	2.6
189.98595	0.7
193.12236	18.0
209.11732	1.1
215.12703	3.8
219.13863	1.8
227.12747	17.0
249.14967	2.2
253.14334	40.2
254.14571	1.5
263.16425	0.8
277.17960	0.7
287.05475	100.0
288.05814	7.7
311.12772	1.3
325.21564	0.9
343.22537	1.8
351.25320	1.0
353.21021	1.4
361.23596	0.8
371.22144	3.7
389.23099	2.9
445.25571	11.0
463.09360	3.3
463.26801	58.1
464.08978	1.1
464.27225	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	463.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.3
53.03933	4.6
55.01868	9.2
55.05268	1.8
55.05510	25.9
57.03437	14.1
57.07053	1.8
59.04971	3.2
65.03927	3.6
67.05502	56.7
69.03413	2.3
69.07066	15.0
69.49367	4.5
69.49800	4.9
71.01330	4.2
71.04990	7.3
79.05491	61.6
81.03413	18.7
81.06584	2.1
81.07052	37.0
83.01334	6.1
83.04977	20.7
83.08617	11.6
85.02880	4.7
85.06530	3.5
86.38962	1.1
91.05476	33.3
93.07038	62.6
95.04965	13.6
95.08612	15.5
97.02892	2.3
97.06535	15.2
97.10172	10.4
98.21491	2.4
99.04452	3.4
99.08108	2.8
105.04472	1.9
105.07030	13.8
107.04948	14.6
107.08589	41.4
107.75951	1.7
109.06521	7.7
109.10154	8.9
111.04425	4.2
111.08065	2.0
117.07010	12.5
119.08570	15.6
121.06506	4.7
121.10147	12.2
123.04475	1.2
123.08085	8.1
124.47838	1.1
125.06041	2.0
125.09620	3.9
129.06998	3.3
130.07816	2.2
131.04822	1.1
131.08557	4.2
133.10097	7.0
135.04416	1.3
135.08046	2.7
135.11685	64.2
137.09526	2.4
139.07553	1.4
143.08560	2.0
145.10126	21.8
147.08009	3.2
151.11186	2.6
152.54616	1.4
153.01811	2.3
153.12764	9.7
155.08485	2.1
163.11183	32.4
173.09581	4.5
181.12218	17.8
191.10681	6.3
194.53871	1.1
199.13202	2.8
201.00713	1.1
209.11748	9.5
227.12769	10.1
228.40196	1.1
255.15826	2.0
265.14322	3.1
283.15332	1.6
285.10321	1.3
287.05481	58.3
288.05786	6.5
327.19452	2.1
371.22015	1.5
390.15149	1.2
401.23053	2.3
419.24414	2.2
428.57199	1.4
445.25436	7.3
463.08725	4.4
463.26834	100.0
464.27197	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	463.1233
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
55.05498	0.3
56.75989	0.2
67.05494	0.4
68.99795	0.2
69.03418	0.4
69.07069	0.2
70.06583	0.3
71.04997	0.3
71.20219	0.1
71.60888	0.2
72.08171	0.2
74.11446	0.2
79.05491	0.4
81.03410	0.3
81.07051	0.5
83.04977	0.2
85.02889	0.7
86.09680	0.3
91.05464	0.4
93.07039	0.5
95.04953	0.3
95.08614	0.5
97.02888	0.2
97.06537	0.2
97.10118	0.2
99.08107	0.2
105.07036	0.4
107.04993	0.2
107.08596	0.4
109.02874	0.3
111.64156	0.1
117.07015	0.1
119.08617	0.4
120.08101	0.5
121.10089	0.2
123.11675	0.2
127.03925	0.2
127.44047	0.2
131.08540	0.3
133.10210	0.4
135.04410	0.4
135.08055	0.2
137.02348	0.2
137.05986	0.2
145.10112	0.2
147.11691	0.2
149.06021	0.3
153.01807	1.4
159.11632	0.2
163.11182	0.3
166.16066	0.2
175.11244	0.2
229.04947	0.2
257.04343	0.2
257.26212	0.2
258.05225	14.6
259.05750	0.3
282.27844	0.2
283.15311	0.5
286.04706	36.4
287.05472	25.0
288.05771	1.1
299.27783	0.3
300.28302	0.3
301.07047	100.0
302.07391	3.1
303.53159	0.2
402.18130	0.2
445.25687	0.3
462.33469	1.0
463.08218	0.6
463.12827	0.5
463.26028	0.4
463.33765	1.1
464.79190	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	463.087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
55.01853	0.3
55.05510	0.8
57.03447	0.6
57.03683	0.2
60.04493	0.3
61.02895	0.6
67.01833	0.4
67.05502	0.7
68.99787	0.3
69.03432	0.6
69.07030	0.3
69.33807	1.4
70.06575	0.3
70.79223	0.1
71.01336	0.3
71.04987	0.9
71.66011	0.1
73.02869	0.4
79.05460	0.5
81.03416	0.6
81.07052	0.9
83.04950	0.5
83.08598	0.3
85.02897	1.6
86.09662	0.2
91.03925	0.3
91.05444	0.6
93.07047	0.7
95.04925	0.4
95.08556	0.5
97.02874	0.4
97.06499	0.3
97.10190	0.2
99.04417	0.2
99.99009	0.1
100.11213	0.3
100.20920	0.1
101.02351	0.2
105.06995	0.5
107.04911	0.3
107.08571	0.5
109.02834	0.4
109.06480	0.3
109.10119	0.4
111.04418	0.4
116.04653	0.2
117.06960	0.1
118.67080	0.1
119.08582	1.5
120.08922	0.6
121.06477	0.2
121.10124	0.2
123.08038	0.2
123.11627	0.2
125.09595	0.3
127.03873	0.4
129.01830	0.2
129.05469	1.0
129.06947	0.2
131.08618	0.2
133.10106	0.4
134.48337	0.1
135.04425	1.6
135.11684	0.3
137.02303	0.4
137.05939	0.3
142.00082	0.1
143.07043	0.3
145.10059	0.4
147.11665	0.2
149.09570	0.1
153.01822	4.7
157.08565	0.4
157.10062	0.2
161.02325	0.6
163.11124	0.3
171.02911	0.7
175.11278	0.1
179.03375	0.2
191.10478	0.1
193.12158	0.2
203.03206	0.1
217.08603	0.1
227.12752	0.8
241.04932	0.5
258.05258	0.4
258.10266	0.1
269.04495	0.4
271.05933	0.3
283.15411	0.9
286.04788	0.5
287.05487	100.0
288.05801	2.2
301.07098	0.2
301.16406	0.5
401.08743	0.1
463.08710	17.9
463.26968	0.5
464.08765	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0871
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
59.11974	0.1
62.84256	0.1
63.51927	0.1
64.30567	0.1
67.01865	0.3
68.99798	0.2
70.25539	0.4
70.25945	0.3
79.32181	0.1
103.16080	0.1
121.92382	0.1
135.04446	1.5
137.02328	0.7
153.01811	3.7
161.02380	0.4
171.02878	0.5
179.03394	0.2
213.05447	0.2
224.58488	0.1
241.04970	0.5
269.04288	0.4
287.05502	100.0
288.02896	0.3
288.05814	2.1
463.08740	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	463.0872
Annotation	Kaempferol-3-Glucuronide
Peak:m/z	Relative Intensity
55.05534	0.1
56.96556	0.2
57.03433	0.2
60.99928	0.1
61.02912	0.1
66.19254	0.1
67.01864	0.3
67.05484	0.3
68.99807	0.3
69.03420	0.3
69.07040	0.1
70.06589	0.2
70.87231	0.4
73.02896	0.3
79.05492	0.4
81.03406	0.3
81.07046	0.5
83.04980	0.1
85.02897	0.6
86.09702	0.3
89.03945	0.1
91.05475	0.5
93.07031	0.4
95.04960	0.2
95.08583	0.1
97.02870	0.2
97.06487	0.2
97.20341	0.1
100.85941	0.1
105.07013	0.3
107.04971	0.1
107.08598	0.3
109.02884	0.1
109.06560	0.2
109.10072	0.2
111.04427	0.2
113.02374	0.1
119.04943	1.3
119.08559	0.3
120.08098	0.2
121.02871	1.2
121.10141	0.3
123.00789	1.0
123.05568	0.3
123.08018	0.1
125.06095	0.1
125.09676	0.2
133.10124	0.3
135.04393	0.8
135.11685	0.1
137.02364	0.2
137.05957	0.2
137.09631	0.1
137.47095	0.1
141.01810	0.2
145.02815	0.2
145.10147	0.2
147.04272	0.1
147.08012	0.1
147.11667	0.2
153.01828	2.4
153.02989	0.2
157.06520	0.1
157.10040	0.1
159.11647	0.2
161.02324	0.2
163.11180	0.2
169.01324	1.0
171.02887	0.5
193.12161	0.2
203.03456	0.1
203.07158	0.1
213.05411	0.3
231.06566	0.2
241.04974	1.3
242.05742	0.3
245.04526	0.4
255.09642	0.2
259.05978	0.6
269.04459	1.2
270.05182	0.3
271.06039	0.7
283.15326	0.3
286.04590	0.2
287.05490	100.0
288.05829	2.0
301.07117	0.2
445.25931	0.2
463.08685	3.8
463.16501	0.3
463.18103	0.2
463.24942	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01852	0.9
55.05511	5.1
56.05002	1.0
57.03430	3.3
57.07056	0.8
58.06572	1.1
61.02929	2.5
63.17829	0.3
67.01824	0.6
67.05507	5.7
69.03426	11.1
69.07066	4.3
70.03773	0.5
70.06589	8.1
71.01317	0.7
71.04984	1.7
71.59968	0.6
73.02922	5.6
79.05486	2.9
81.03416	3.4
81.07056	8.4
82.03689	0.4
82.06579	2.3
82.07359	0.4
83.01292	0.6
83.04948	0.9
83.08615	2.9
84.08104	1.3
85.02901	19.0
85.06538	0.6
86.09666	1.1
87.00808	1.0
87.04462	2.1
91.03921	1.1
91.05484	2.5
93.07022	3.1
94.06562	1.8
95.04954	0.6
95.08054	0.6
95.08599	6.7
96.08096	2.0
96.08823	0.5
97.02289	0.5
97.02887	7.5
97.06489	1.3
97.08877	0.4
97.10137	1.0
98.09682	2.5
99.04399	1.6
99.08058	0.7
99.94275	0.4
100.11253	0.7
101.02351	0.7
103.03903	0.9
105.01839	0.6
105.07014	3.4
107.04918	2.2
107.08599	2.5
108.08082	1.3
108.08821	0.4
109.02885	3.4
109.06490	0.8
109.10155	3.7
110.09646	0.7
111.04446	0.5
111.08018	0.5
111.11701	0.4
114.09140	1.1
115.03914	1.2
117.06996	0.6
119.04865	0.4
119.08540	1.2
120.08079	0.6
121.10117	1.7
122.09644	0.6
123.07996	0.7
123.11722	0.6
124.07591	0.9
125.09607	0.6
126.09153	0.4
127.03918	6.0
127.11143	0.6
128.04192	0.5
129.10303	0.4
129.45381	0.4
131.08527	1.1
133.04910	0.4
133.10127	42.3
134.10500	1.9
135.04367	0.8
135.08040	0.5
135.11658	1.6
136.07571	0.9
137.05927	0.8
137.09619	0.6
137.13333	0.4
138.12762	0.5
142.08617	1.9
145.04984	2.4
145.10091	0.9
147.07971	0.5
147.11678	1.0
149.13252	0.5
153.01828	2.4
154.08626	6.2
154.92143	0.4
159.11673	0.6
161.05963	0.3
171.03026	0.4
171.11732	0.5
173.09512	0.4
173.13234	0.4
175.11157	1.2
177.16380	0.6
179.10611	0.6
182.15359	0.5
182.19102	0.4
187.11197	1.0
191.10387	0.4
193.04912	0.7
194.05273	0.5
196.17773	0.5
210.14940	0.4
213.18433	0.4
214.18880	0.4
217.12303	0.4
236.23665	0.6
241.04895	0.7
241.36382	0.3
247.13341	2.4
255.11156	0.4
258.05173	1.3
262.25244	0.4
264.26859	22.9
265.27209	0.6
269.04425	0.4
280.26291	0.9
282.27908	38.7
283.10706	0.9
283.15240	0.5
283.28131	0.9
286.04642	2.5
287.05496	50.1
298.27237	1.0
299.09024	0.5
299.28091	0.5
300.09531	2.1
300.28964	38.9
301.07047	5.7
301.11938	0.9
301.29288	1.2
324.29025	1.0
342.30042	1.0
408.23666	0.8
426.25232	1.1
444.26062	1.2
444.33243	3.5
462.34253	100.0
463.08621	1.6
463.34598	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	462.3428
Annotation	D-Glucosylsphingosine
Peak:m/z	Relative Intensity
50.74646	0.3
53.03715	0.4
53.03947	1.2
54.17165	0.4
55.05511	2.7
55.05736	0.5
56.05027	0.6
57.03440	2.1
58.06596	1.4
60.46023	0.3
61.02930	2.0
62.43404	0.3
67.05505	4.9
69.03430	6.6
69.07072	3.4
70.06593	9.1
70.31982	1.4
71.04986	1.0
73.02921	1.9
78.68129	0.3
79.05500	1.6
81.03423	1.9
81.07062	6.4
82.06583	0.5
83.04938	0.4
83.08607	1.6
84.08169	0.5
85.02905	15.2
87.04470	2.7
91.03968	0.6
91.05469	0.6
93.07047	1.5
95.08608	5.5
96.08140	1.7
97.02893	4.5
97.08906	0.5
97.10171	0.6
98.09706	2.2
99.04457	1.3
101.02362	0.5
103.03957	0.8
105.07025	1.3
107.08588	1.0
109.02891	1.7
109.10165	2.2
110.09653	0.8
114.09196	1.2
115.03936	0.5
121.10115	0.8
123.11743	0.6
127.03922	3.1
128.42441	0.4
133.10158	2.7
135.04491	0.5
135.11711	0.8
138.12819	0.6
140.10779	0.4
145.05003	0.9
153.01872	0.9
196.20561	0.4
197.73994	0.4
219.62495	0.3
236.23792	0.5
264.26871	27.7
265.27097	0.7
282.27924	39.0
283.28220	0.8
287.00641	0.4
287.02231	0.5
287.05505	20.9
300.28967	41.6
301.29276	1.0
316.64178	0.3
324.29178	0.9
342.30127	0.8
444.33383	1.9
462.34274	100.0
463.08658	1.1
463.34583	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	462.1968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.2
55.05508	0.9
56.05029	0.2
57.03427	0.3
66.92457	0.2
67.05506	0.4
69.03412	0.4
69.07047	0.5
69.35386	1.6
70.06581	0.7
71.04985	1.4
74.06075	0.2
76.02235	0.2
79.05480	0.5
81.03413	0.3
81.07059	1.5
83.04917	0.2
83.08605	0.4
83.78124	0.2
84.04505	0.3
84.08127	0.4
85.02898	1.9
86.06090	0.2
86.09698	0.7
91.05463	0.3
93.07062	0.2
95.08617	0.2
96.08104	0.2
97.02882	0.3
97.05284	0.5
98.06034	0.5
98.09679	0.3
98.21545	0.3
105.07040	0.2
107.08585	0.2
108.08105	0.4
109.06502	0.9
110.06023	0.6
111.06808	0.3
116.10717	0.2
119.08538	0.2
121.02859	0.7
126.09151	0.8
127.03966	0.2
129.05486	0.4
130.06496	0.2
131.08534	0.2
133.10123	0.2
138.05495	0.2
139.06253	0.6
145.10080	0.5
149.09581	0.3
152.06993	0.3
154.08623	100.0
155.09021	1.2
162.02193	0.2
246.16878	0.3
247.16905	0.3
249.28094	0.2
268.10748	0.3
286.04898	0.2
287.05505	0.5
295.05807	0.2
316.13821	2.1
316.16501	0.2
321.07593	0.4
333.07507	0.2
349.07031	0.3
359.09274	0.2
361.06943	0.4
373.06915	0.2
379.08124	0.3
387.08078	0.2
415.08624	0.3
417.09628	0.2
444.86676	0.2
445.09271	0.8
462.20486	0.2
462.30383	0.2
463.10336	1.2
463.21634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.05505	1.1
56.05035	0.4
60.04512	0.5
60.76998	0.3
62.24487	0.3
69.03434	1.0
69.07078	0.4
70.06609	2.0
71.05003	2.5
71.23135	0.3
71.60745	0.6
72.08158	1.0
74.06063	0.5
78.61444	0.3
79.05462	0.5
80.78116	0.3
81.03392	0.4
81.07066	1.7
83.04956	0.3
84.04492	1.0
84.08131	0.7
85.02917	3.7
85.06590	0.3
86.09698	2.4
93.07040	0.7
95.04990	0.4
97.02899	0.8
98.06067	0.3
98.09698	0.4
98.97565	0.4
102.05569	0.5
105.07033	0.8
107.08604	0.6
107.87907	0.4
108.08127	1.3
109.06519	1.4
110.06035	0.5
111.04412	0.5
116.07071	1.6
116.98607	0.4
119.08543	0.4
120.07266	0.5
120.08115	6.7
121.10165	0.4
124.07587	1.3
125.08392	0.4
126.09159	1.3
127.03953	0.4
129.05455	0.7
131.04893	0.4
135.04434	0.3
136.07585	1.5
137.05939	0.4
138.09169	0.3
139.06311	0.9
140.07080	0.5
145.04930	0.4
147.04434	0.4
152.07068	0.5
154.08640	100.0
155.09019	1.8
165.10263	1.1
169.13216	0.4
175.14832	0.4
186.09129	0.4
187.10846	1.0
204.08295	0.3
214.08582	0.4
217.13788	0.5
219.13362	0.4
224.68365	0.3
235.79970	0.4
257.13876	0.4
259.10751	0.4
276.13528	1.9
286.04541	0.4
287.05521	10.2
316.13943	2.0
347.17459	0.4
462.20078	2.0
463.08633	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01870	0.6
55.05509	3.4
56.96559	2.6
57.03429	1.8
57.07068	0.8
59.05002	0.4
61.02926	2.4
64.45248	0.4
67.05506	8.0
69.03418	2.9
69.06764	0.4
69.07072	4.3
71.04984	1.2
71.08616	0.4
73.02917	1.2
73.30076	0.4
76.98262	0.4
79.05501	3.9
81.03416	4.3
81.07063	11.2
83.04999	2.4
83.08608	1.9
85.02918	3.2
85.06559	0.9
91.03943	1.3
91.05476	4.2
93.07045	4.6
95.04944	2.2
95.08604	6.5
97.02892	1.9
97.06528	1.7
97.10168	1.4
98.97571	0.5
99.04453	0.5
99.08086	0.8
105.07036	4.1
107.04952	1.3
107.08595	4.4
109.02853	0.7
109.06530	1.3
109.10159	7.4
111.04480	1.1
111.08073	0.9
111.11747	0.7
116.98617	0.9
117.07001	1.0
118.40164	0.4
119.08596	5.0
121.06517	1.3
121.09480	0.4
121.10167	3.2
122.07304	1.0
123.08068	1.5
123.11717	3.1
125.05980	0.9
125.09618	0.9
127.03947	0.9
129.07004	1.3
131.08549	2.3
133.10117	2.9
135.08102	1.0
135.11668	1.7
137.02686	0.4
137.05992	1.3
137.09621	10.1
137.13257	1.8
139.03923	0.8
139.07603	0.4
142.07835	0.6
143.08565	0.7
145.04999	0.6
145.06511	0.5
145.10138	1.9
147.08076	1.1
147.11668	2.5
147.23482	0.4
149.01245	0.5
149.09637	2.3
149.13269	1.5
151.07530	2.4
151.11084	0.8
157.10101	1.2
159.11633	1.0
161.09627	0.7
163.11171	0.9
163.14807	0.5
165.09120	100.0
166.09425	1.4
167.07024	1.8
167.08315	0.5
169.10219	0.5
171.06618	0.4
171.11736	0.5
173.09601	0.9
173.13210	0.5
175.07513	0.8
175.11185	0.9
177.00806	0.4
177.09129	1.5
179.10721	0.7
191.07054	1.0
191.10658	0.9
193.08508	0.5
193.12277	1.3
201.12685	0.6
201.16393	0.5
203.05852	0.9
205.12259	4.2
211.13342	1.0
219.05164	0.6
229.07358	0.4
247.20183	0.5
247.70207	0.5
257.04446	2.3
267.09091	5.2
281.10638	0.9
283.08517	0.6
285.10126	8.8
285.17004	1.0
289.14389	0.5
291.26926	1.1
299.06116	0.5
299.11679	4.0
301.09698	0.6
301.21646	1.4
303.15924	1.0
308.11810	0.7
317.12668	0.9
322.13062	0.5
324.11493	4.2
324.62003	0.6
331.12225	2.3
340.12863	0.7
355.22571	0.7
364.16547	0.5
425.26749	1.0
425.34442	0.5
443.27753	2.8
443.35541	0.9
445.18991	1.4
461.28842	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	461.29
Annotation	Hyperielliptone HA
Peak:m/z	Relative Intensity
53.03942	5.3
55.01863	2.8
55.05508	24.3
56.96566	2.1
57.03439	6.9
65.03939	2.0
67.05510	36.9
69.03429	3.3
69.07080	10.8
70.09780	11.1
71.04993	4.3
79.05493	33.6
79.05904	3.2
81.03422	23.9
81.07056	42.3
83.04985	5.8
83.08626	12.3
85.06520	3.1
91.05479	34.9
93.07053	33.0
95.04973	20.2
95.08627	13.0
97.02912	2.9
97.06546	3.6
97.10166	7.4
103.05458	2.1
105.07027	27.6
107.04954	9.3
107.08600	16.2
109.06526	2.8
109.10177	8.1
111.08082	4.0
115.05481	2.5
117.07015	12.9
119.08570	16.0
121.06481	10.8
121.10149	10.0
123.08084	3.7
125.09648	8.3
129.07010	14.3
131.08568	18.3
133.06517	6.1
133.10136	14.8
135.08070	4.6
135.11681	2.9
141.07057	2.6
143.08549	10.5
145.06517	9.9
145.10153	6.2
147.08049	6.9
147.11703	8.1
149.09633	3.3
149.13295	7.8
155.08574	7.3
157.10144	11.4
159.11713	8.5
161.09608	3.6
163.11205	4.9
167.08766	2.2
169.10155	4.9
171.11711	5.3
173.09657	2.8
173.13301	2.6
175.11180	4.4
181.10222	2.3
187.14763	3.3
189.09256	3.0
189.11159	4.3
193.12231	10.4
199.14859	5.2
207.11754	2.3
208.37747	2.3
217.15936	6.1
223.14906	2.3
232.70314	2.1
239.14543	2.1
249.14923	2.0
257.04562	4.7
257.15417	2.5
267.16125	3.1
269.12631	3.0
285.10144	6.2
324.11703	2.9
339.68243	2.7
341.24658	3.0
351.23239	9.2
369.19919	3.4
369.24243	16.1
387.25299	9.0
443.27975	30.4
461.28989	100.0
462.29016	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	461.1082
Annotation	Baicalein 6-methyl ether 7-glucuronide
Peak:m/z	Relative Intensity
55.05498	0.2
55.78411	0.1
57.82469	0.1
61.30282	0.1
63.94044	0.1
64.68073	0.1
67.05489	0.2
69.03410	0.1
69.07065	0.2
70.01051	0.4
70.01463	0.2
79.05482	0.2
81.07062	0.8
83.04972	0.2
85.02889	0.2
91.05444	0.2
93.07025	0.2
95.04967	0.1
95.08591	0.4
97.02915	0.1
98.97572	0.1
99.08101	0.1
105.07030	0.1
105.15144	0.1
107.08614	0.2
109.10131	0.2
119.08586	0.1
121.10133	0.3
123.08076	0.2
123.11759	0.1
127.03887	0.2
133.06487	1.0
133.10173	0.2
135.11661	0.1
139.11244	0.1
149.13286	0.1
151.07539	0.3
153.01833	0.8
159.04565	0.1
165.09113	0.5
167.07016	0.1
171.02953	0.1
183.10219	0.2
191.10596	0.1
199.88290	0.1
201.05653	0.1
218.45113	0.1
242.05740	11.7
242.70580	0.1
243.06161	0.3
257.08221	0.2
270.05243	10.3
271.05804	0.5
285.07581	100.0
286.07919	1.8
335.69080	0.1
393.18124	0.1
417.11984	0.2
448.80029	0.1
461.10764	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2893
Annotation	Hyperielliptone HB
Peak:m/z	Relative Intensity
53.03938	3.4
53.95714	1.3
55.01879	3.3
55.05514	13.8
57.03426	6.0
65.03947	2.6
67.05178	2.0
67.05505	32.3
69.03425	3.4
69.07069	9.4
70.27463	1.4
70.61151	2.8
70.61519	3.1
71.04963	2.0
78.47572	1.4
79.05491	31.8
81.03413	26.7
81.06588	1.7
81.07058	35.0
83.04993	7.8
83.08617	10.6
85.02901	2.7
85.06551	2.9
91.05478	27.3
93.07040	27.5
95.04970	20.3
95.08611	16.7
97.02890	1.6
97.06542	6.9
97.10169	5.1
99.08089	2.3
103.05485	2.1
105.07025	21.9
107.04925	7.1
107.08593	13.8
109.06506	3.9
109.10146	7.1
111.04391	1.8
111.08073	5.0
115.05457	3.4
117.07027	11.7
119.04965	2.5
119.08600	11.6
120.02249	1.5
121.06502	6.5
121.10118	9.0
123.08065	3.1
125.09635	6.7
129.06995	11.1
131.04935	3.5
131.08569	15.2
133.06523	4.5
133.10150	10.8
135.08034	3.6
135.11714	3.5
137.16425	1.4
141.07060	2.0
143.08548	6.4
145.06509	6.9
145.07513	1.4
145.09148	1.4
145.10133	9.2
147.08099	3.8
147.11670	4.5
149.09581	4.6
149.13275	9.5
155.08568	2.8
157.10146	6.4
159.08066	2.0
159.11682	7.7
161.09651	1.7
163.11130	2.5
165.09125	2.0
167.08527	2.0
169.10132	2.0
171.08066	1.6
171.11673	2.6
173.13269	2.3
175.11217	5.0
177.12709	3.8
185.09593	2.1
193.12224	11.3
195.13710	3.7
197.13326	2.1
211.13324	2.7
217.15886	3.9
227.12695	1.6
245.15370	1.6
249.14857	3.4
255.17780	1.9
257.04443	4.7
257.15347	2.3
267.09195	2.0
285.10205	2.0
308.11771	1.7
341.24741	2.5
343.22836	3.3
351.23203	5.4
369.24133	15.6
387.25217	10.9
405.26404	1.5
417.26483	4.5
425.26730	1.8
443.27795	21.2
451.32639	1.4
461.29007	100.0
462.29376	3.8
462.73251	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	461.1078
Annotation	Apigenin 7-(6''-methylglucuronide)
Peak:m/z	Relative Intensity
55.05502	0.1
67.01865	0.4
67.05486	0.3
68.09525	0.1
68.99799	0.2
69.03404	0.1
69.07068	0.2
70.66250	0.3
71.04972	0.1
73.41216	0.1
79.05475	0.1
81.07053	0.5
83.04981	0.2
83.08615	0.1
85.02905	0.3
91.05458	0.4
93.07009	0.2
95.04951	0.2
95.08600	0.4
97.06522	0.1
105.07025	0.3
107.08566	0.2
109.02898	0.1
109.10130	0.4
111.00776	0.1
119.04943	1.8
119.08585	0.2
121.02856	0.7
121.10123	0.2
123.08035	0.1
123.11694	0.2
127.03885	0.1
129.01775	0.1
131.08578	0.1
133.10072	0.1
135.11688	0.1
137.09581	0.1
138.48558	0.1
145.02827	0.6
145.10085	0.2
151.07532	1.4
153.01823	4.5
163.03926	0.4
165.09122	0.2
171.02899	0.8
173.05847	0.1
177.09106	0.1
187.03908	0.1
191.10660	0.2
193.08366	0.1
203.07060	0.1
225.05498	0.2
229.04924	0.3
243.06392	0.4
247.06154	0.1
257.04562	0.1
271.05994	100.0
272.06314	2.1
300.36130	0.1
301.01563	0.1
303.19748	0.1
305.31003	0.1
325.81210	0.1
461.10715	1.8
461.20233	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	460.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.4
53.75728	0.2
55.05510	2.3
56.05017	0.4
57.03434	1.7
57.07073	0.4
58.06575	0.5
61.02935	2.1
67.05508	2.6
67.42284	0.2
68.05014	0.5
69.03435	5.1
69.07064	2.7
69.38486	1.5
69.38913	0.7
70.06598	3.0
71.01340	0.3
71.04967	0.7
71.27127	0.2
73.02915	1.8
79.05498	1.7
80.04993	0.4
81.03428	1.7
81.07049	2.4
82.06572	1.3
83.01331	0.3
83.08579	0.9
84.08124	0.4
85.02907	9.7
86.06043	0.3
87.04482	2.1
91.03931	0.5
91.05516	1.1
91.55731	0.2
93.07051	2.1
94.06116	0.2
94.06570	2.2
95.04981	0.5
95.08595	1.4
96.08130	3.3
97.02393	0.3
97.02896	2.9
97.06441	0.2
98.09642	0.5
99.04449	1.2
101.02380	0.5
103.03967	0.6
105.06997	0.8
107.07252	0.4
107.08543	0.7
108.08122	2.2
109.02912	1.5
109.08884	0.7
109.10131	0.8
110.09689	1.9
112.54224	0.2
114.43573	0.2
119.08563	0.6
119.87265	0.3
120.08081	0.5
121.10094	0.5
122.09668	2.9
123.08171	0.2
127.03916	2.3
127.09923	0.7
133.10175	0.3
135.11678	0.4
136.11189	0.7
140.10704	1.6
145.04933	0.8
150.12773	0.4
213.10957	0.5
221.05051	0.3
222.22130	0.5
225.39287	0.3
231.10616	0.2
236.23697	0.4
241.10475	0.3
260.23724	1.1
262.25308	16.7
263.25632	0.6
268.44708	0.3
278.24731	0.3
280.26361	31.2
281.26712	0.7
298.27414	57.5
299.09256	0.3
299.27783	1.4
319.24896	0.3
337.44144	0.2
340.28510	2.1
357.15176	0.4
364.32443	0.2
375.16190	1.9
417.17337	5.6
442.31595	0.7
460.32709	100.0
461.16306	16.3
461.33002	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	460.327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
53.70953	0.3
55.01857	0.3
55.05516	2.0
56.05019	0.6
57.03442	1.7
57.07039	0.5
58.06568	0.4
61.02928	1.6
61.03173	0.4
62.34742	0.4
67.05508	2.2
68.05009	0.4
69.03089	0.4
69.03430	5.4
69.07066	3.5
69.60519	0.3
70.06596	2.9
70.75599	0.8
70.75970	0.5
71.04966	0.6
72.08132	0.6
73.02913	1.8
79.05493	1.8
81.03410	1.6
81.07059	2.6
82.06551	1.2
84.08125	0.5
85.02435	0.5
85.02908	8.2
86.09671	1.0
87.04481	1.8
91.03951	0.4
91.05453	1.2
93.07050	2.7
94.06583	2.1
95.04966	0.5
95.08595	1.7
96.08134	4.2
97.02893	3.3
98.09638	0.6
99.04440	1.3
101.02356	0.4
103.03921	0.6
105.07005	1.2
107.08561	1.4
108.08127	2.4
108.34210	0.3
109.02846	1.0
109.06465	0.4
109.08863	1.1
109.10136	0.8
110.09689	1.8
114.09105	0.4
115.03897	0.6
116.10709	0.4
119.08555	0.7
121.10091	0.7
122.09663	3.3
127.03923	2.3
127.09943	0.6
133.10130	0.5
134.09616	0.5
135.11652	0.5
136.11214	0.5
140.10674	1.5
145.04944	0.4
150.12756	0.7
173.07210	0.3
222.22357	0.4
234.22255	0.3
241.86174	0.3
260.23663	1.3
262.25308	17.0
275.82693	0.3
280.26361	33.5
281.26553	0.6
287.05392	0.4
298.27411	52.7
299.27740	1.4
340.28421	1.7
384.90482	0.3
397.10275	0.3
431.13010	0.4
442.31876	0.7
460.32697	100.0
461.33038	2.2
463.52280	0.3
483.39566	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	460.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	5.0
55.01861	5.3
55.05500	8.1
56.45011	2.2
57.03432	4.3
57.07060	2.5
67.05510	13.8
68.05814	3.3
69.03430	18.4
69.07047	6.6
70.78294	6.4
71.04991	30.4
72.05322	7.1
73.02895	2.2
79.05481	10.3
81.03411	22.8
81.07051	29.0
82.03747	2.5
82.07365	4.7
83.04967	3.5
83.08617	3.9
84.04488	2.7
85.02907	30.0
86.06087	4.0
86.09693	2.6
87.00821	14.1
91.05489	12.2
93.07035	14.3
93.75349	2.4
94.06534	2.8
94.07347	2.6
95.04945	7.1
95.08598	22.0
96.08099	2.2
96.08935	7.2
97.02886	22.4
97.06514	5.4
99.04429	4.4
100.11220	3.0
103.05447	9.1
105.01878	11.5
105.07019	14.4
105.54243	2.3
107.04940	11.2
107.08560	11.3
109.02872	7.5
109.06481	3.7
109.08007	2.3
109.10168	12.3
110.10454	3.5
111.04422	3.0
111.08054	4.0
119.08574	10.6
120.08889	6.4
121.06532	4.5
121.08482	2.5
121.10126	9.2
123.08077	8.6
123.11689	36.9
124.12019	22.5
127.03901	26.7
130.04965	4.8
131.04933	2.8
133.10127	6.4
134.10460	3.7
135.08018	13.8
135.11678	5.8
136.12032	5.4
137.09647	6.5
138.09975	5.2
139.03886	6.2
142.08643	3.7
145.04935	12.3
145.10089	4.6
146.10394	2.6
147.11678	2.9
149.09540	2.5
151.07527	6.0
154.06239	40.4
157.10027	2.5
159.02934	3.6
163.07544	29.2
165.09117	27.7
166.09451	10.2
167.07094	3.0
175.14818	8.6
176.15164	8.4
180.07767	2.9
193.12218	2.7
193.15871	8.6
194.12575	3.3
194.16266	10.8
195.08340	5.1
195.10156	100.0
200.12891	11.2
211.17018	2.7
212.17308	7.0
225.28212	2.3
231.05006	9.5
257.04456	3.5
271.05991	41.6
362.18021	4.7
368.23004	3.7
386.23581	3.8
424.24234	4.0
434.13785	2.5
460.27158	14.0
460.32922	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	459.3832
Annotation	Salvistamineol
Peak:m/z	Relative Intensity
53.03934	1.8
55.01865	2.2
55.05507	9.1
56.96545	2.3
57.03419	2.3
57.07056	4.6
59.04996	1.3
61.69173	1.3
65.12801	1.2
67.05504	9.9
69.03417	6.3
69.07066	16.9
70.01606	7.7
71.04987	2.3
79.05486	10.8
81.03367	1.8
81.07063	27.0
83.04981	3.3
83.08620	8.4
85.02902	2.7
85.06567	1.9
90.67996	1.5
91.05467	7.5
93.07048	35.1
95.04978	2.0
95.08606	38.4
97.06519	3.4
97.10165	3.2
105.07030	18.7
107.08598	51.8
107.46770	1.6
107.60257	1.3
109.06500	2.2
109.10155	19.7
111.08083	2.8
117.07030	1.8
119.08588	22.3
121.10149	37.7
123.08015	2.0
123.11691	13.1
125.09623	10.7
127.11160	2.6
129.07040	2.0
131.08536	6.2
133.10124	24.2
134.00374	1.3
135.11696	24.5
137.13242	6.7
139.11197	3.4
143.08574	3.9
143.10651	3.8
145.10146	15.5
147.11688	19.4
149.12047	2.7
149.13251	46.1
151.07596	1.8
153.12691	1.9
157.10159	6.9
159.11703	18.4
161.13246	12.6
163.11206	2.1
163.14839	5.4
167.14247	2.0
171.11693	6.9
173.13277	7.9
175.14839	4.3
177.16446	8.8
183.11714	2.1
185.13239	5.7
187.14809	15.6
189.16451	8.2
191.10652	2.3
191.17935	8.2
193.15933	2.0
195.17448	3.6
199.14792	4.0
201.16373	27.2
203.17982	23.0
205.15970	2.8
207.17369	2.6
211.14874	1.9
211.16867	3.4
213.16415	9.6
215.17941	9.3
217.19501	4.0
223.16866	6.2
225.16360	2.6
227.17957	12.2
229.19633	3.2
233.19031	9.3
241.19397	3.9
251.20000	12.9
255.21042	2.7
267.21124	2.5
279.23257	2.5
281.06964	1.5
281.22681	2.1
283.24155	10.6
317.09058	1.7
327.33453	1.4
331.10352	3.9
405.35135	9.7
423.36194	100.0
424.36475	4.2
426.22998	1.6
441.37286	22.4
442.37350	1.8
459.22226	1.9
459.38763	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	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.7
55.01873	4.1
55.05511	16.9
57.03437	3.6
60.03888	0.6
65.03941	1.3
67.05504	21.7
69.03426	3.3
69.07062	4.8
69.28410	7.4
71.04989	1.9
76.94723	0.6
77.03930	0.7
79.05489	21.8
81.03416	41.8
81.07053	19.1
83.04987	3.5
83.08611	14.5
85.06536	1.4
91.05479	20.1
93.07038	13.1
95.04965	17.5
95.08615	7.9
97.02898	1.0
97.06525	5.0
97.10167	10.0
103.05457	1.5
105.07024	15.1
105.07676	1.3
107.04949	9.1
107.08587	8.7
109.06474	3.7
109.10157	5.9
109.72933	0.5
111.04432	1.8
111.08074	4.5
113.05965	0.6
115.05468	2.5
117.06993	7.6
117.77937	0.6
119.04916	1.3
119.08584	11.1
121.06515	8.9
121.10162	5.1
123.04439	1.5
123.08069	3.1
123.11700	1.0
125.09643	7.6
128.06241	1.4
129.06129	1.1
129.06996	10.7
131.04918	4.0
131.08560	11.6
133.06505	4.6
133.10135	3.6
135.08064	4.0
135.11688	1.7
137.06003	0.8
137.09636	2.2
141.07021	3.4
142.07727	1.8
143.08556	4.4
144.05716	1.5
145.06477	20.9
145.10126	3.3
147.04382	1.5
147.08026	4.9
147.11678	5.2
149.05994	0.7
149.09645	3.4
151.11191	0.9
153.09106	2.1
153.12689	1.1
155.08543	3.5
156.09300	0.7
157.06522	3.8
157.10143	7.1
159.08018	4.2
159.11716	2.1
161.05984	3.0
161.09619	1.9
163.11174	2.2
165.09135	1.7
165.12723	1.1
167.08568	2.5
169.06471	1.9
169.10129	2.5
171.07993	4.6
171.11646	1.4
173.09706	2.0
173.13271	0.8
175.07596	1.0
175.11198	6.3
181.06631	0.9
181.10104	2.2
183.08134	2.3
183.11778	1.4
185.09642	2.1
185.13351	1.3
187.11218	1.2
187.14859	1.1
189.09373	0.6
189.11246	4.3
189.12685	0.9
193.10423	1.0
193.12241	23.1
195.08012	1.8
195.11711	2.9
195.13472	0.7
197.09660	1.5
197.13274	2.0
199.11201	1.3
201.12798	0.8
203.14330	1.6
205.12216	1.2
209.09714	1.0
209.13194	1.3
211.11116	1.7
211.13147	1.0
213.12724	2.2
215.14330	1.7
219.11765	1.0
221.13358	0.7
223.11234	1.3
225.12790	1.5
227.14336	2.0
229.16025	0.8
231.13780	1.0
233.15413	2.8
235.11134	0.9
237.12761	2.2
239.14302	1.4
241.12253	0.8
243.13820	1.3
249.14806	4.4
255.13850	5.4
257.15430	1.4
269.15259	0.7
271.13135	0.5
271.16815	1.6
273.14847	14.7
281.15491	0.8
283.16910	1.1
287.16492	1.8
299.16418	1.3
311.16464	0.7
313.18085	0.7
321.22113	1.3
331.20636	1.7
337.96631	0.7
339.23154	4.6
349.21585	12.0
357.24243	4.1
361.24466	0.9
367.22650	32.6
385.23724	28.9
387.22797	0.8
403.24750	6.3
405.24084	2.8
423.25058	2.0
441.26257	7.6
459.27393	100.0
460.27728	1.8
469.20355	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24041	0.5
53.03942	3.8
54.68758	0.4
55.01868	4.8
55.05508	15.8
57.03432	3.7
57.07054	0.9
65.03928	1.5
67.05504	21.5
69.03413	1.7
69.07061	5.1
69.26436	6.7
71.04981	2.4
78.56484	0.5
79.05000	0.6
79.05491	23.9
81.03416	61.5
81.07056	20.0
83.04983	3.5
83.08138	1.0
83.08615	16.4
83.83021	0.5
85.02878	0.7
85.06536	1.5
91.05481	23.2
92.21281	0.6
93.07050	13.8
95.04359	1.1
95.04964	19.9
95.08604	9.8
97.02887	1.5
97.06525	4.1
97.10166	9.1
99.08126	0.7
103.05484	1.2
105.03411	0.7
105.07028	16.6
107.04952	10.9
107.08593	9.4
109.02864	0.6
109.06516	3.9
109.10152	5.4
111.04415	1.3
111.08077	5.2
115.05444	1.8
117.07014	6.5
119.04944	1.4
119.08582	13.7
121.06494	7.9
121.10140	5.6
122.07295	0.8
123.04446	2.2
123.08112	2.4
123.11676	2.3
125.05991	0.6
125.09627	6.5
128.06224	1.8
129.07010	11.7
131.04942	4.0
131.08563	11.6
133.06493	5.5
133.10132	5.0
135.08067	3.2
135.11641	1.1
137.05968	0.6
137.09595	4.5
141.06963	3.3
142.07764	2.6
143.07402	0.8
143.08481	4.6
144.05699	1.5
145.06487	18.9
145.10100	4.1
147.04413	1.5
147.08028	5.9
147.11676	6.2
149.05977	0.9
149.09619	4.4
153.09114	1.5
153.12721	0.7
154.07715	0.5
155.08565	3.8
157.06477	3.2
157.10121	9.5
159.08072	3.2
159.11671	1.7
161.05989	2.8
161.09627	1.8
161.13225	1.0
163.07617	0.5
163.11179	1.1
165.09117	24.8
165.12753	1.6
167.08545	1.3
169.06496	1.8
169.10123	2.4
171.08044	5.0
171.11676	1.9
173.09674	1.9
175.07594	0.8
175.11185	8.3
179.08598	0.7
181.06531	1.0
181.10109	1.5
183.08066	1.7
183.11671	1.1
185.09621	2.4
185.13292	1.7
187.11227	1.5
187.14780	0.8
189.11220	2.5
189.12799	1.5
193.12239	34.1
195.07982	1.3
195.11734	3.3
197.09595	1.3
197.13274	2.3
199.11203	2.0
199.14777	0.6
201.09222	0.6
201.12834	0.8
203.14348	1.5
205.12209	1.0
209.09703	0.8
209.13306	1.1
211.11273	1.1
211.13181	0.7
213.12709	2.2
214.17964	0.5
215.14293	1.5
219.13948	0.8
221.13345	0.8
223.11205	1.3
225.12839	1.4
227.14359	1.8
231.13875	1.6
233.15331	2.4
237.12738	3.1
239.14395	0.9
243.13876	1.2
249.14832	5.2
255.13806	5.1
257.15381	1.3
259.13263	0.8
271.16806	0.9
273.14835	13.5
281.15540	1.4
283.06100	0.8
287.16333	1.4
299.16589	0.6
309.14755	0.6
311.16202	0.8
321.22159	1.2
323.20065	0.9
325.17841	0.7
331.20621	0.7
339.23105	3.7
341.20975	1.0
349.21576	8.5
351.27258	0.5
353.80911	0.6
357.24243	1.6
367.22684	24.7
368.22925	0.8
385.23712	24.7
387.23120	0.8
403.24808	5.0
405.24335	2.6
415.24545	0.8
423.25494	1.3
441.26349	5.3
459.27405	100.0
460.27734	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	459.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77338	1.1
52.67051	1.3
53.03947	2.0
55.01872	2.0
55.05508	13.4
57.03428	2.5
57.07070	3.3
65.03945	2.0
65.97295	1.2
67.05174	1.8
67.05511	30.9
69.03429	11.0
69.07067	15.1
70.06588	2.0
71.01351	1.3
71.04987	4.7
71.59630	2.5
72.08160	7.0
79.05493	17.6
81.03419	6.3
81.07060	40.7
83.04982	6.3
83.08617	5.8
85.02924	6.7
85.06556	6.5
86.06052	2.1
86.09716	6.5
87.58752	1.2
91.05478	11.8
93.07043	26.6
95.04973	11.5
95.08610	100.0
96.32143	1.4
97.02867	3.1
97.06559	7.8
97.10168	4.2
99.04456	2.9
99.08082	3.0
101.06007	2.3
101.19604	1.2
103.05470	1.3
105.07038	18.5
107.04955	3.8
107.08593	21.6
109.02886	1.7
109.06518	8.4
109.10168	28.1
111.04448	2.3
111.08085	3.4
111.11700	1.4
113.06017	2.6
113.09642	1.3
115.07553	1.7
116.10725	2.0
116.98666	1.7
117.07012	5.4
119.08571	13.5
121.06478	6.3
121.10152	15.6
123.08078	42.1
123.11711	14.9
125.05984	3.4
125.09616	3.7
125.39404	1.3
127.03916	3.6
127.07504	1.7
129.06993	4.7
131.08572	7.9
133.06476	3.1
133.10150	10.1
135.08041	4.8
135.11685	6.4
137.05965	2.2
137.09595	13.3
137.13252	2.7
139.07552	1.8
139.11206	3.3
141.05487	1.4
141.09108	29.3
142.07712	1.9
143.08601	3.9
145.06477	4.2
145.10143	9.7
147.08020	3.6
147.11723	12.0
149.05998	2.0
149.09604	5.9
149.13237	3.6
149.54585	1.2
151.07523	7.3
151.11191	3.2
151.14833	1.7
153.09117	2.0
153.12717	3.7
157.10136	4.7
158.10957	1.4
158.66934	1.2
159.08058	2.8
159.10190	2.1
159.11684	6.3
161.05949	1.6
161.09583	4.1
161.13254	4.4
163.07419	1.3
163.11208	3.8
165.09132	30.9
165.12758	5.0
167.07054	2.1
169.08607	3.0
169.10083	2.0
171.11713	4.2
173.09578	2.8
173.13237	4.3
175.11182	2.8
175.14824	4.5
177.09102	2.4
177.12720	2.8
179.10616	2.0
181.09917	1.8
181.12294	1.8
183.10126	2.6
183.11656	1.4
183.13762	2.2
185.13245	2.5
187.09708	14.8
187.11253	2.9
187.14809	3.8
189.08992	1.6
189.12694	3.2
191.07025	1.9
191.10637	3.2
191.14339	2.9
193.12291	3.6
195.10187	2.0
197.13214	3.1
199.14799	2.6
201.11179	4.6
201.12866	1.9
201.16235	1.9
203.10559	2.2
203.14267	3.0
205.12175	3.4
208.79329	1.3
209.13263	2.4
211.14854	1.9
212.16409	2.2
213.16658	2.6
215.14214	2.7
219.13776	1.8
221.15247	2.2
230.17703	1.5
231.13875	2.6
233.15367	2.4
243.13766	1.8
245.18797	1.9
247.26219	1.5
249.14769	2.6
273.09677	1.4
273.14835	3.3
279.15970	1.8
279.23486	1.4
286.10617	1.4
297.16974	2.8
297.24207	2.9
301.21628	3.2
318.62369	1.7
319.22736	3.7
349.21613	2.8
367.22635	4.2
379.25070	2.7
385.23831	6.2
395.25760	2.6
405.23044	3.9
411.23880	1.8
423.24078	16.0
441.25040	7.9
459.16995	2.7
459.27133	24.0
460.27481	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	459.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.8
55.01858	4.7
55.05507	10.8
56.96545	1.5
57.03429	3.3
57.07066	4.4
58.95287	1.5
59.04983	1.6
61.02925	2.2
67.05500	20.2
69.03430	12.6
69.07063	13.1
70.08347	6.4
71.04990	58.5
73.02910	1.9
74.34856	1.2
79.05485	11.4
81.03415	18.9
81.07052	40.3
83.04962	4.6
83.08607	5.2
84.04467	1.4
85.02904	17.9
85.06561	6.3
85.31547	1.2
87.00840	6.9
89.07153	1.6
91.04614	1.4
91.05477	15.1
93.07041	23.0
95.04964	12.7
95.08599	41.5
97.02908	12.8
97.06509	4.7
97.10147	4.8
99.04449	4.3
99.08073	3.8
103.05486	3.1
105.01859	8.6
105.07021	18.5
107.04943	5.6
107.05625	1.4
107.08595	22.7
109.02873	5.4
109.06498	9.8
109.10150	26.9
111.04413	3.0
111.08056	10.5
111.11674	1.6
113.05973	2.1
115.05448	2.5
116.10781	1.3
117.07008	3.8
119.08584	22.8
120.08102	8.4
121.06494	4.8
121.08443	4.3
121.10141	13.9
123.04456	1.4
123.08064	15.7
123.11702	100.0
124.12040	2.2
125.09610	4.2
127.03922	13.6
129.07013	2.4
129.65630	1.5
131.04956	2.2
131.08571	6.8
133.06467	1.7
133.10117	20.9
135.08051	4.7
135.11671	13.9
137.05959	5.1
137.09601	14.2
141.09059	3.5
142.07768	1.9
143.08554	5.3
145.04939	5.3
145.06479	4.2
145.10103	7.4
147.08060	3.2
147.11684	7.4
149.09608	3.5
149.13231	3.7
150.09132	6.0
151.07539	11.0
151.11185	3.7
151.14738	1.5
154.06258	6.8
157.10123	5.9
159.02902	1.8
159.08023	2.9
159.11697	4.3
161.09637	2.0
161.13344	1.6
163.07565	7.1
163.11147	2.6
165.09111	40.9
165.12735	2.9
167.07156	1.8
167.08653	1.4
169.10100	1.5
171.07956	1.5
171.11732	1.7
173.09639	2.0
173.13208	3.2
175.11098	4.2
175.14822	28.9
177.09076	3.4
177.12669	1.4
185.11525	1.4
185.13300	1.6
187.09604	2.7
187.11159	1.7
187.14821	2.3
189.09010	2.8
189.12724	2.8
191.10699	3.9
191.14305	1.6
193.12268	9.5
193.15871	43.5
195.10172	14.3
197.13278	2.3
199.14778	1.9
201.11194	4.0
203.10609	1.9
203.14252	2.1
205.12186	4.2
211.16911	24.3
213.03906	1.4
213.12708	2.1
213.16588	1.6
223.16843	1.4
227.14249	1.5
231.05017	3.6
233.15245	2.0
272.29306	1.4
273.14767	4.1
279.15628	3.0
297.16907	1.6
299.19916	1.4
301.21683	1.8
312.76245	1.4
336.43378	1.4
349.21667	2.4
367.22620	5.2
384.23154	1.5
385.23682	5.7
405.23938	1.3
423.24118	5.4
441.25699	2.9
459.16971	2.4
459.27356	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1021
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	6.4
57.03418	2.8
61.02934	2.6
67.42442	1.3
69.03437	9.3
69.42001	7.5
69.42428	5.4
70.06588	2.1
73.02889	3.2
84.96038	1.4
85.02912	19.0
86.06091	1.6
87.04520	2.0
88.93780	1.4
94.93024	3.0
97.02879	8.3
98.21566	3.0
98.96935	3.2
98.97579	63.3
99.04467	1.3
109.02885	3.0
110.97559	12.5
112.89593	3.8
114.89345	8.0
116.89135	24.9
116.97814	2.9
116.98618	52.7
119.01855	1.6
120.88093	1.3
127.03898	8.0
128.98595	23.1
131.00215	2.3
134.99652	22.3
136.93974	1.9
140.00177	1.9
143.00206	1.7
143.01878	2.7
145.04976	5.0
146.99666	20.7
149.01254	3.4
153.00713	2.5
158.99663	47.9
161.01344	2.5
161.02905	3.9
165.00725	4.0
165.29192	1.5
170.01381	1.9
170.99651	20.1
173.02937	2.2
177.00723	84.3
177.03998	3.6
178.04933	2.4
186.04678	2.0
189.00710	48.3
191.02318	1.7
191.03925	2.6
195.01765	8.2
200.02296	5.1
201.00734	5.4
203.03954	2.3
207.01776	21.3
212.02348	2.2
219.01781	41.2
225.02806	2.6
230.05444	1.8
231.01711	7.6
237.02824	13.6
245.05167	4.2
248.89661	2.1
249.02823	22.6
255.03894	3.3
258.06705	1.5
259.07602	1.9
261.02820	4.6
264.07458	3.3
266.06494	2.7
272.06366	2.0
273.08142	4.1
273.58325	1.7
279.03888	100.0
281.06903	4.6
291.03796	6.9
297.05048	15.7
297.08133	2.3
309.04907	28.0
320.06601	3.9
339.05981	3.7
417.07590	2.2
459.11533	2.8
459.16568	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	459.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	2.4
56.96563	10.4
57.03428	5.1
61.02914	4.2
69.03432	11.3
69.08232	1.9
70.06606	3.0
70.58924	1.7
71.60098	2.8
71.60483	2.7
72.08132	3.3
73.02907	7.0
81.03403	4.3
85.02906	24.6
86.06073	2.7
92.93514	2.3
94.93021	2.6
97.02898	10.1
98.97581	54.5
98.98204	3.8
99.04462	1.9
110.97544	8.9
112.89581	9.6
114.89340	21.4
116.89132	46.6
116.98624	54.4
118.08660	2.1
119.01878	4.2
127.03905	11.7
128.98610	22.0
131.00250	2.3
134.99660	33.1
136.93977	2.8
143.00105	4.0
143.01871	2.7
145.01791	1.9
145.04944	6.2
146.99654	28.7
149.01178	3.5
153.00716	6.3
155.02893	2.9
158.01259	2.9
158.99648	51.0
161.01207	2.8
161.02962	3.6
163.03952	2.3
165.00726	6.5
167.02261	2.1
170.99658	18.5
173.02957	2.6
176.03493	2.4
177.00722	91.3
177.04019	2.7
178.04930	3.1
184.05003	2.0
186.04741	1.9
189.00716	49.8
191.03850	4.9
193.00227	2.7
195.01765	10.8
200.02277	7.5
200.04172	3.2
201.00688	5.5
202.36505	1.9
203.04141	2.5
207.01755	24.1
209.03343	2.0
212.02290	2.8
219.01749	46.5
230.03276	2.4
231.01790	5.9
235.02721	2.7
236.99033	2.2
237.02826	15.8
237.06313	2.5
245.05049	3.9
249.02812	25.7
250.06973	3.7
255.03824	7.1
257.06140	4.4
261.02869	5.9
264.07645	2.0
266.06396	10.4
267.04037	2.5
273.07953	5.6
275.03485	2.1
279.03885	100.0
280.04300	2.8
281.07001	5.8
281.57172	3.4
291.03888	7.1
297.05121	13.2
309.04944	31.4
320.06430	7.7
321.04926	3.0
335.12469	2.2
339.05911	7.2
340.09851	2.3
343.39880	2.1
347.09369	5.6
356.04453	2.2
362.09766	2.5
369.06918	3.2
373.02887	2.0
417.07166	2.4
459.11734	7.8
459.16568	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	457.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	4.4
55.01871	4.2
55.05504	4.8
57.03431	3.0
57.07066	1.7
59.04992	1.5
67.05499	12.2
68.99783	1.7
69.03452	8.5
69.07045	7.6
71.04986	6.1
74.21013	1.2
79.05479	9.6
81.03424	9.2
81.07056	15.5
83.05000	2.7
83.08599	2.5
85.02904	18.0
85.06538	4.2
86.06041	1.5
87.00822	7.3
91.05477	9.9
93.07037	10.9
95.04971	9.9
95.08604	11.7
97.02887	8.1
97.06535	16.0
98.20719	3.2
99.04453	3.6
105.01873	5.9
105.07035	17.8
107.04941	2.3
107.08608	16.2
109.02899	7.0
109.06520	65.6
109.10160	21.6
111.08055	3.6
116.10701	3.8
117.07041	3.3
119.08605	9.5
121.06532	2.6
121.10152	8.9
123.08082	11.5
123.11703	3.2
125.09623	1.8
127.03921	8.5
129.01860	1.6
129.07002	3.0
131.08582	30.7
133.06508	1.7
133.10133	90.3
135.07108	2.5
135.08063	31.1
135.11658	2.6
137.09622	3.6
142.60956	1.7
143.08549	3.1
145.04964	4.9
145.10159	9.8
147.11676	5.1
149.09612	5.2
149.13278	4.6
151.07579	2.1
153.09103	5.0
155.08461	1.3
157.10188	2.8
158.10934	4.0
159.02876	5.1
159.08098	1.9
161.09592	1.8
163.11102	2.9
163.14842	2.8
165.09097	18.7
167.08513	1.7
171.11725	1.4
173.09781	1.3
173.13274	48.0
175.11159	12.3
176.11545	12.2
183.11650	1.5
185.13318	1.7
187.14709	2.0
187.77292	1.4
189.12848	3.6
191.14307	100.0
193.12151	1.8
206.86598	1.5
208.14491	1.4
209.09619	1.8
209.13458	2.9
209.15375	39.4
223.07475	2.1
241.08652	4.0
293.11798	1.9
296.21982	1.6
309.14908	2.9
337.14310	5.1
360.23816	5.3
373.63046	1.4
383.21890	1.8
429.22211	2.6
442.17944	11.4
457.25607	11.1
457.32620	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	457.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.0
55.01856	3.2
55.05509	3.6
56.96559	1.2
57.03436	1.7
57.07073	2.5
59.04988	1.4
61.02908	0.9
65.03953	1.1
67.05506	9.7
68.08049	1.0
69.03429	12.0
69.07072	5.1
69.40784	7.8
70.06599	1.3
71.04990	8.6
72.08150	1.4
73.02918	1.8
79.05489	5.9
81.03426	8.5
81.07061	9.6
83.04983	4.0
83.08618	1.2
85.02908	19.6
85.06529	6.3
86.09723	2.5
87.00825	7.0
87.04404	1.2
91.05460	6.9
92.46223	0.9
93.07036	7.9
95.04969	8.1
95.08607	12.0
97.02915	6.9
97.06503	5.2
98.20781	2.4
99.04448	4.3
99.08140	1.0
103.05489	1.2
105.01853	7.3
105.07035	11.6
107.04957	1.1
107.08604	17.6
108.49921	0.9
109.02894	4.5
109.06520	100.0
109.10156	28.4
111.08115	4.7
117.07011	2.7
119.08579	6.5
120.08122	1.2
121.06514	2.5
121.10146	15.2
123.08057	13.2
123.11695	2.1
124.07556	1.1
125.05943	1.2
125.09627	3.2
127.03922	10.8
129.01825	1.6
129.07027	1.2
131.08562	15.9
133.10130	18.5
133.11087	1.5
135.08060	43.2
135.11674	2.4
137.09613	3.4
139.11176	2.7
143.08588	1.9
145.04947	3.9
145.10135	3.8
147.08044	1.5
147.11707	5.1
149.09624	6.5
149.13281	5.1
150.10408	1.2
151.07550	1.8
151.11191	15.8
153.09117	4.5
158.10994	4.6
159.02936	3.6
159.11678	1.2
163.11174	1.1
163.14828	2.8
165.09148	3.9
171.11716	2.1
173.09517	1.0
173.13278	22.7
191.14308	90.2
192.14543	1.2
209.15370	58.2
231.05070	2.0
315.13348	1.3
371.13669	1.0
395.84589	1.1
439.20300	6.8
457.14606	2.8
457.20151	1.8
457.24557	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	457.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.3
55.01872	2.4
55.05529	2.4
56.96574	1.3
57.03438	1.1
57.07066	1.4
61.02932	1.2
65.03938	1.0
67.05503	4.3
68.99795	1.3
69.03432	12.5
69.07052	3.3
70.06588	2.5
71.04995	3.0
71.60950	1.7
73.02926	2.4
77.71024	1.0
79.05502	4.2
81.03415	11.8
81.07063	6.0
83.04980	2.7
83.08633	1.2
85.02905	18.0
85.06553	1.0
86.09708	4.3
87.00829	5.9
91.05470	4.8
93.07041	6.3
95.04971	5.7
95.08614	5.5
96.08114	1.0
97.02905	6.0
97.06535	3.0
99.04444	3.5
99.08088	1.2
103.05521	1.3
105.01871	4.4
105.07030	7.1
107.04967	1.8
107.08595	8.9
109.02886	7.8
109.06514	7.8
109.10161	4.8
111.08075	1.3
117.01823	1.5
117.07008	1.2
119.08559	4.9
121.06508	1.7
121.10142	12.2
123.08083	4.4
123.11712	3.5
127.03918	11.7
131.08562	6.2
133.06470	1.3
133.10130	17.4
135.08061	5.6
135.11665	2.5
137.09608	15.4
145.04932	3.6
145.10147	3.2
146.99806	0.9
147.11693	3.6
149.09625	8.4
149.13263	7.8
151.11185	18.0
159.02914	4.3
159.11728	2.2
161.09605	1.3
163.11142	1.1
163.14883	1.5
165.09163	3.3
165.12753	30.2
173.13274	11.1
175.11137	1.3
176.17235	1.0
191.14314	19.5
193.10585	1.0
193.15907	1.9
209.15364	100.0
210.15739	1.5
231.05016	2.6
237.02959	1.4
247.10455	1.0
265.11917	2.1
266.12042	1.5
295.18918	1.4
316.13718	1.2
318.44019	1.0
371.16602	1.3
381.27271	1.0
439.20490	1.5
452.88647	1.2
457.17523	2.4
457.24124	64.1
458.24661	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	456.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15440	1.5
55.05511	7.7
56.96543	2.2
57.03428	6.5
57.07070	3.0
61.02917	2.8
67.05506	9.6
69.03427	11.5
69.07078	10.5
69.79459	2.7
69.79865	9.2
70.06590	5.2
71.04990	3.4
72.08138	1.7
73.02921	9.8
79.05500	6.9
81.03406	4.0
81.07062	16.9
83.04987	4.4
83.08617	2.8
84.04511	2.4
84.08109	1.7
84.50674	1.8
85.02909	16.9
85.06527	3.4
86.06075	14.0
86.09713	5.4
87.04463	2.1
91.05483	7.3
93.07063	10.4
94.06577	1.9
95.04963	4.1
95.08614	11.2
96.08127	6.6
97.02901	9.8
97.06522	4.8
98.06071	3.5
98.09733	1.9
99.04449	3.7
105.07037	7.5
107.04996	1.7
107.08601	6.9
108.08124	4.5
109.02834	3.1
109.10168	6.4
110.09683	2.6
115.03922	4.7
116.10735	3.8
118.46866	1.7
119.08585	7.0
120.08147	3.4
121.10144	6.9
122.06023	12.8
122.09663	6.3
123.06828	13.8
123.08090	2.3
123.11668	1.7
124.07603	5.1
127.03942	5.9
131.08620	4.2
133.10143	3.4
135.11688	3.7
136.07585	6.5
136.11188	1.9
137.05989	1.9
137.09592	3.6
140.07130	1.7
142.08655	13.0
145.04933	2.9
145.10152	3.6
147.11685	4.0
149.09669	2.0
150.09128	4.2
151.07526	13.8
151.11157	3.0
157.64987	1.8
161.09755	1.7
162.12820	2.5
163.11209	1.6
165.09097	4.3
169.12305	3.5
187.11243	2.0
191.14308	8.2
193.12321	1.9
209.15390	1.6
212.16472	70.0
224.16441	4.7
226.18031	51.1
242.17520	10.1
256.13385	2.2
276.20239	3.4
276.23239	53.9
285.10223	2.9
288.18060	64.4
294.24292	53.1
308.12631	1.8
313.11752	2.1
331.12854	2.3
394.21060	2.4
438.20111	16.5
438.29025	2.9
439.19046	5.9
456.14417	2.8
456.21762	10.1
456.29611	100.0
457.14709	3.7
468.70096	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	456.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
54.39565	0.9
55.01856	2.8
55.05497	3.0
56.96560	1.2
57.03430	1.8
57.07074	15.5
58.31012	0.9
59.05000	100.0
60.79110	0.8
61.02918	1.8
65.17780	0.9
67.05505	2.8
69.03426	8.3
69.07050	1.9
70.06590	1.0
71.04995	2.7
71.61048	1.1
73.02901	1.7
79.05482	2.6
79.63868	1.0
81.03413	7.4
81.07060	5.1
83.04949	1.1
85.02901	20.3
87.00838	7.3
91.04029	1.2
91.05476	2.4
93.07071	2.6
95.08604	3.3
97.02885	9.3
97.06504	2.6
99.04462	2.2
105.01865	7.3
105.07039	3.0
107.08582	2.5
108.08129	1.0
109.02875	4.6
109.06573	1.4
109.10160	3.6
115.10419	1.9
115.11208	33.1
117.09151	2.2
119.08595	2.0
120.08090	2.6
121.10167	1.4
122.06046	2.0
122.09642	2.8
123.06808	1.1
124.11227	2.9
127.03909	8.9
129.01866	1.3
133.10159	1.1
135.11713	1.4
145.04948	2.7
159.02937	3.2
165.09126	3.6
165.12708	1.0
173.15384	9.0
191.16422	81.0
192.16829	1.2
203.08176	2.5
204.06566	1.3
205.09842	1.0
231.04964	2.3
232.14508	1.1
263.10071	1.5
265.12070	1.1
276.23260	7.0
276.25949	1.2
277.45914	0.9
285.10193	1.0
294.24283	10.3
295.15829	1.2
305.11337	1.9
315.13397	1.2
428.21869	2.2
438.20352	1.7
456.13773	1.1
456.20541	4.8
456.29681	3.4
457.21744	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	456.1477
Annotation	HZ52
Peak:m/z	Relative Intensity
56.61876	0.4
61.02906	0.4
69.03435	0.6
70.06590	1.8
71.04980	1.2
71.58298	0.9
73.02917	0.5
81.07058	0.7
84.08143	0.9
85.02897	3.3
85.06506	0.8
86.09717	1.2
95.08582	0.6
97.02896	1.1
105.07025	0.6
107.08595	0.6
116.98611	0.5
124.07594	0.5
127.03908	0.8
129.05479	0.7
131.10706	0.8
145.08551	0.6
162.05466	0.7
164.07129	0.5
177.00764	0.6
216.07257	0.6
247.00061	0.4
248.08788	0.5
254.08786	0.8
258.08136	0.9
258.13107	0.8
317.08386	1.8
324.10547	3.5
342.10370	2.0
397.08066	0.5
439.09885	0.6
456.14767	100.0
457.14948	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	455.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
62.85473	0.5
65.45237	0.5
70.03755	1.5
70.04146	1.0
98.48003	0.5
98.97575	1.3
112.89604	28.2
116.98642	0.8
128.98515	0.6
149.01202	1.3
219.01825	0.5
311.06415	0.8
334.92160	0.5
359.60153	0.5
455.11612	100.0
456.11908	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	456.148
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91420	0.3
55.05513	0.4
56.96570	0.4
57.03439	0.5
58.32009	0.3
59.21902	0.3
60.49371	0.3
62.14539	0.3
66.50211	0.3
69.03414	0.8
70.06602	1.7
70.70748	0.3
71.04982	1.3
71.59480	0.5
71.59901	0.4
72.08146	0.3
73.02913	0.5
81.07045	0.3
83.04994	0.4
84.04522	0.3
84.08125	0.5
85.02913	1.7
85.06551	0.8
85.39120	0.3
86.09724	0.8
91.05463	0.3
95.08610	0.8
97.02926	0.8
97.63805	0.4
98.97632	0.6
103.07555	0.4
107.08607	0.4
116.98652	0.5
119.01925	0.7
129.05501	0.6
136.07639	0.4
140.07060	0.3
145.03514	0.5
145.08600	0.6
149.09636	0.4
157.80260	0.3
162.05402	0.5
175.04620	0.3
177.00792	0.4
213.83391	0.3
216.07263	0.8
242.08675	0.3
243.08890	0.4
258.08258	0.8
282.08234	0.7
317.08383	1.7
324.10562	3.1
342.10361	2.5
456.14786	100.0
457.15540	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	454.2926
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
55.05504	3.2
57.03455	5.2
57.07080	21.6
58.34247	2.3
62.06089	24.9
64.02879	2.3
67.05507	9.1
69.07078	5.1
71.08637	17.4
71.61730	3.7
74.57716	2.7
79.05470	3.6
81.07061	8.9
81.66843	2.0
82.98278	2.5
83.08636	6.9
85.10200	10.3
93.07070	2.6
93.46516	2.3
95.08614	11.5
97.02858	3.2
98.98486	4.4
106.30172	2.7
109.10177	7.5
122.91917	2.5
155.01091	4.1
189.15222	2.4
216.06538	3.1
241.95210	2.8
258.81088	2.6
282.16757	2.5
282.28003	12.2
301.15036	2.6
313.27365	100.0
339.89493	2.8
393.24066	7.4
436.28268	7.8
454.28952	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
55.01861	6.4
55.05499	8.0
57.03433	11.3
57.07069	3.9
60.62459	2.1
61.02921	5.6
67.05491	7.0
68.99791	2.3
69.03423	25.2
69.07059	5.2
69.46623	5.4
69.47029	15.3
71.04993	18.1
71.08620	13.3
73.02907	4.6
81.03416	21.5
81.07045	4.7
82.59720	1.8
83.08607	9.4
85.02902	72.1
85.06501	2.0
87.00828	27.0
95.08591	2.4
97.02893	27.8
97.06499	2.8
99.04443	11.5
99.08087	26.9
100.07642	2.2
100.10728	2.2
100.11267	19.8
101.11557	3.7
105.01857	36.5
109.02879	21.5
109.10152	39.7
111.04442	2.4
117.01860	2.0
127.03916	54.8
127.11199	10.0
128.07108	3.6
129.01843	3.2
145.04959	23.0
145.12228	100.0
147.02872	2.1
153.12764	2.2
159.02875	11.9
171.13838	17.4
176.65840	2.3
182.15396	7.9
189.14853	41.0
209.16470	4.3
209.60912	2.1
210.14847	9.3
210.49684	2.3
211.15239	4.4
213.03979	3.5
231.04893	13.1
235.13278	2.1
249.06007	4.1
265.11951	2.5
339.14328	2.6
357.15338	5.8
375.16534	4.5
390.31268	5.5
390.81857	2.4
453.84473	10.6
454.19620	9.2
454.34311	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	454.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	8.0
55.01875	12.5
55.05507	12.5
56.97913	4.4
57.03437	26.7
57.07071	20.6
67.05493	19.9
69.03423	18.0
69.07073	31.9
69.46043	12.7
69.46461	30.6
70.06592	8.6
71.04970	14.0
73.02914	10.1
79.05515	5.0
81.03416	16.1
81.07046	30.5
83.04984	10.4
83.08622	16.5
84.08131	13.9
85.02913	52.3
85.06544	17.1
86.09700	14.0
87.00845	7.2
93.07042	13.2
94.22608	6.5
95.04971	10.4
95.08622	17.7
97.02898	17.6
97.06525	8.7
98.05969	5.1
98.97550	5.0
99.04446	8.7
99.08086	42.1
105.01816	8.6
105.07040	10.4
107.08597	11.8
109.02879	17.4
109.10150	58.5
110.07173	5.9
111.08041	9.3
116.98585	7.6
119.08613	9.5
119.39513	4.9
121.06522	4.8
121.10128	10.3
123.11712	5.9
125.09608	6.6
127.03929	23.4
127.11198	55.8
133.10138	9.0
135.08029	11.1
137.09639	5.9
143.10696	8.7
145.04944	14.0
151.11240	6.2
152.05711	12.3
153.12802	30.7
155.14299	100.0
155.91818	7.0
162.24214	5.0
169.12267	7.6
171.13786	56.1
177.00699	5.7
180.24809	4.7
195.13785	18.0
204.08621	5.3
297.18604	9.0
313.11960	10.1
426.92996	4.8
436.18719	5.5
454.19525	25.3
455.18805	12.0
469.72717	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	453.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07435	1.8
52.99154	1.8
53.03941	5.7
55.01871	4.3
55.05515	55.3
56.96568	3.2
57.03434	8.3
57.07066	4.6
61.02913	2.8
65.03928	3.1
67.05505	38.2
69.03432	25.3
69.07069	53.0
70.06571	1.8
71.04994	5.8
71.08611	2.3
73.06582	3.0
79.05498	24.3
81.03416	11.8
81.06577	4.7
81.07060	92.2
83.04996	11.1
83.08618	10.4
85.02911	10.7
85.06577	10.2
91.05483	23.5
93.07045	50.7
95.04971	23.3
95.08612	71.8
97.02898	100.0
97.06520	15.9
97.10174	82.0
99.04462	6.8
99.08089	5.5
100.11243	8.6
101.06017	2.4
105.07041	43.8
107.04939	2.9
107.08600	44.5
109.02881	4.3
109.06537	18.2
109.10159	36.8
111.04458	10.4
111.08114	10.1
111.11703	10.4
113.06030	3.1
114.24688	1.8
115.03937	6.4
115.35981	1.9
117.07042	8.8
119.08582	27.4
120.02367	1.9
121.06540	7.6
121.10152	34.7
123.04453	5.1
123.08100	9.9
123.11710	32.1
125.05967	4.6
125.09620	20.6
127.03941	4.4
129.07002	6.9
131.08563	17.5
133.06462	5.1
133.10112	20.0
135.08061	14.2
135.08958	2.3
135.11676	23.0
137.05988	4.5
137.09599	13.2
137.13278	5.5
139.07576	2.5
139.11201	24.7
141.06982	4.1
142.07852	4.6
143.08621	10.6
143.10669	20.8
145.10118	24.1
146.06104	2.4
147.08047	6.6
147.11708	18.5
149.06009	4.1
149.09627	8.5
149.13275	14.3
151.07556	7.9
151.11180	6.6
153.09099	3.6
153.12743	3.6
155.08582	3.2
157.10136	10.7
157.12254	9.3
159.08051	5.9
159.11710	18.6
161.09628	9.3
161.13213	11.2
163.11252	10.3
163.14854	7.3
165.09155	11.4
165.12810	5.7
167.07054	3.2
168.09293	2.3
169.10123	7.1
171.11642	6.5
173.09624	6.2
173.11858	3.7
173.13229	13.5
175.11198	8.6
175.14865	4.9
177.09102	3.4
177.12776	8.2
179.14330	2.7
182.15453	3.9
183.11693	5.5
185.09567	2.9
185.13252	5.8
187.11238	5.1
187.14806	10.4
189.09203	3.0
189.11232	6.7
189.12778	7.6
189.16310	3.5
191.10710	4.2
191.14325	4.0
195.11917	2.0
195.13953	2.5
197.13287	5.5
199.14883	4.9
201.12830	8.4
201.16432	3.9
203.10594	3.1
203.12575	2.6
203.14415	5.9
205.12238	5.1
205.15881	4.7
207.13800	3.6
210.14926	3.7
211.14862	5.1
213.16438	3.5
215.14381	6.0
217.12260	4.9
217.15805	3.3
219.13841	5.9
221.11778	7.3
221.15314	3.0
229.15907	8.3
231.13753	3.1
231.17332	2.7
233.15393	6.0
233.19048	2.5
235.13242	2.4
247.16994	3.2
251.16449	6.7
275.23718	3.5
285.13211	2.7
285.22195	3.5
301.21823	3.7
303.23206	14.5
319.22684	2.7
321.24252	16.5
345.24304	3.8
349.24106	2.5
353.24915	2.7
371.25906	3.7
381.24283	3.4
399.25479	15.1
405.26544	2.7
417.26385	31.1
435.27512	39.6
435.33221	4.1
436.28354	2.4
453.18506	6.5
453.28802	51.8
453.34424	5.8
454.28375	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	451.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.9
55.01867	10.5
55.05510	14.3
56.74298	1.7
57.03417	7.1
57.07056	5.0
59.04986	3.0
61.02905	7.3
67.05500	24.3
68.99771	6.4
69.03090	3.6
69.03429	55.1
69.07056	19.9
69.39494	18.6
71.04984	19.6
73.02898	5.2
76.77673	1.9
79.05130	1.9
79.05491	19.2
81.03417	35.0
81.07056	45.4
83.04959	8.2
83.08598	5.9
83.31219	1.7
85.02905	46.8
87.00829	25.5
87.04464	3.1
88.21992	2.0
91.05473	24.2
93.07047	34.6
95.01288	1.9
95.04977	15.0
95.08605	56.0
97.02888	26.9
97.06509	7.0
97.10143	7.0
99.04448	7.8
99.08043	2.7
103.03933	7.1
103.05415	2.3
105.01904	10.0
105.07027	56.1
107.04948	8.6
107.08594	36.8
109.02881	21.1
109.06555	11.6
109.10156	38.6
111.04451	11.5
111.08070	4.1
111.55110	1.7
115.03929	9.0
115.05460	2.0
117.01832	2.5
117.07024	14.1
119.04948	2.8
119.08575	59.0
120.32607	1.8
121.06501	9.9
121.10138	28.4
123.04419	6.3
123.08111	9.2
123.11696	18.3
125.02287	3.0
125.06011	4.5
125.09615	4.0
127.03927	21.9
127.07578	2.1
127.11147	11.1
128.06207	6.6
129.01811	6.8
129.05453	2.6
129.06989	8.7
130.07733	4.1
131.08569	29.7
133.06470	4.9
133.09117	2.3
133.10123	40.6
135.04340	2.7
135.08018	8.0
135.11694	13.3
137.05969	3.8
137.09619	9.1
137.13274	2.6
139.07555	2.0
139.11174	5.1
141.05487	2.2
141.06963	4.2
142.07848	8.4
143.08539	18.6
144.09343	6.7
145.04939	5.6
145.06462	4.0
145.10118	48.2
147.02864	4.1
147.08043	8.1
147.11693	31.3
149.05998	2.2
149.09612	5.7
149.13258	12.4
151.07591	2.2
151.11128	5.0
153.05536	2.1
153.06987	2.3
155.08562	9.3
156.09358	8.4
157.08920	3.3
157.10124	35.4
158.10902	4.5
159.02864	7.7
159.08031	5.1
159.11676	45.3
161.09592	7.6
161.13275	14.6
163.07495	3.4
163.11200	4.3
163.14835	3.0
165.06905	1.8
165.09190	2.3
165.12700	2.4
167.08591	4.2
167.10742	2.3
168.09264	3.2
169.10068	12.1
171.08032	6.7
171.11658	23.7
173.09596	7.6
173.13271	23.4
175.11166	10.1
175.14755	9.9
177.12735	3.4
177.16367	4.6
178.49640	1.8
180.09311	4.3
181.10095	7.1
182.10910	3.8
183.11664	16.5
185.09630	5.7
185.13213	10.6
187.07552	2.1
187.11159	6.9
187.14812	18.3
189.03903	7.4
189.09113	5.7
189.12677	8.4
189.16393	31.8
191.10678	2.7
191.14307	3.1
192.09293	3.2
193.10098	4.3
195.11694	6.0
197.09503	2.6
197.13326	9.8
199.11185	5.0
199.14780	8.2
201.03941	9.0
201.12727	7.1
201.16385	28.8
203.14301	4.0
203.17995	19.0
205.16013	2.3
207.11778	10.6
207.13538	1.8
208.12367	2.3
209.09651	2.1
209.13152	4.9
211.11153	2.6
211.14835	7.6
213.12740	5.7
213.16327	11.0
215.14243	4.2
215.17923	15.8
217.12306	2.5
217.15901	2.2
217.19325	2.5
219.17438	6.0
221.13229	2.9
223.14799	5.0
225.12790	13.5
225.16394	6.1
227.14334	2.9
227.17944	11.4
229.15997	2.3
229.19466	2.3
231.05028	3.1
231.17410	10.1
233.18947	5.9
237.12616	2.3
239.14246	3.5
239.18001	3.3
241.12215	1.9
241.15839	8.2
243.13766	7.3
243.17506	8.9
245.19006	10.5
251.14484	2.1
251.17857	2.2
255.17332	3.0
257.19003	7.2
259.16901	2.9
261.14859	2.4
261.18365	4.1
265.19452	2.2
269.19022	5.6
275.17584	2.9
275.20245	3.2
281.19006	2.6
283.20590	4.2
287.20132	2.6
293.18881	7.9
297.40662	1.8
311.19995	26.5
329.21088	24.6
347.14825	4.4
347.22165	6.9
365.23221	4.7
389.23083	2.5
397.19891	2.4
407.24307	5.0
415.21051	17.8
433.22061	27.3
451.23203	100.0
452.23761	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	451.0492
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	7.2
57.03421	2.1
60.64312	1.3
69.03416	3.6
70.28294	5.6
70.98116	1.6
73.02894	2.3
75.97435	1.3
85.02914	7.3
97.02903	4.9
98.97598	10.0
116.98613	7.7
119.01897	2.8
127.03925	2.2
128.98602	3.3
134.99646	3.5
137.73851	1.3
143.01947	1.9
143.03412	4.3
145.04948	1.8
146.99663	3.7
158.99635	2.7
161.01276	2.4
161.03023	3.4
165.00735	1.7
172.95277	1.3
173.01608	1.5
173.03043	3.3
174.99089	1.4
177.00719	4.8
189.00737	2.8
189.04405	3.7
191.02208	1.9
193.00250	3.6
195.01855	2.2
195.05537	1.6
198.96948	1.3
207.05475	2.4
219.01805	3.9
221.05055	3.8
231.05406	1.8
237.02855	10.6
237.52396	1.7
255.04083	2.0
281.02127	1.5
287.09845	1.7
305.10806	3.3
309.08774	1.5
331.54996	1.6
333.08734	3.5
349.08136	1.8
351.09802	2.3
372.26575	1.4
391.02466	1.8
399.85788	1.7
451.04883	100.0
451.11441	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	451.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06261	0.1
55.05470	0.2
56.66405	0.2
57.03426	0.2
61.02897	0.2
67.01866	0.8
67.05490	0.5
68.99773	0.5
69.03423	1.4
69.07055	0.2
69.75253	1.0
71.04972	0.4
75.05135	0.2
79.05457	0.5
81.03400	0.4
81.07049	1.0
83.04985	0.2
85.02899	1.9
85.06515	0.3
86.03175	0.2
89.03873	0.3
91.05467	0.8
93.07034	0.2
94.06500	0.2
95.04961	0.4
95.08575	0.7
97.02883	0.8
97.06480	0.2
105.07016	0.4
106.06496	0.2
107.04946	0.2
107.08570	0.6
108.08113	0.2
109.02837	0.4
109.06504	0.9
109.10143	0.3
111.08044	0.2
111.95570	0.2
118.06523	0.3
119.08556	0.5
120.08091	2.1
121.10120	0.4
123.08070	0.2
124.07613	1.0
125.89914	0.2
127.03900	0.4
131.08571	0.5
134.05995	0.7
135.04436	1.9
136.04732	0.8
136.07533	0.7
137.02299	0.5
137.04951	0.3
137.09492	0.2
138.02602	0.2
138.05438	0.2
139.02716	0.3
143.08551	0.2
145.04892	0.2
145.10049	0.2
146.06012	0.4
147.06781	0.5
147.07932	0.3
148.07581	2.0
149.09602	0.2
150.09128	0.3
152.07117	0.2
153.01825	4.9
154.02162	2.2
155.02277	1.7
159.11627	0.3
161.02319	0.2
162.02644	0.3
164.07063	10.9
165.09035	0.2
166.08606	0.3
171.02841	0.8
171.11673	0.3
172.03244	0.3
173.03412	0.3
173.09485	0.2
177.84651	0.2
179.03348	0.2
180.03709	0.2
194.27827	0.2
211.14891	0.4
215.15518	0.2
216.10100	0.3
219.06520	0.2
229.13562	0.2
229.15755	0.4
233.11688	0.6
241.04919	0.4
242.05324	0.2
243.05635	0.5
243.14969	1.1
243.17171	0.2
245.16469	0.5
253.13408	0.3
260.06360	0.2
270.04886	0.2
271.04916	0.5
271.14398	3.8
271.16998	1.1
287.05499	50.4
288.05829	48.5
289.06046	100.0
289.15387	19.7
290.06332	5.6
290.15778	0.8
385.59579	0.2
439.78046	0.2
451.11346	46.4
451.22836	1.3
452.11624	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	451.0489
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	2.2
57.03430	1.1
61.02914	1.1
64.57235	0.6
69.03426	2.8
69.73267	5.2
79.21184	0.7
81.03417	0.9
85.02901	5.8
97.02904	2.8
98.20746	1.3
98.97576	2.9
110.01106	0.8
116.98629	2.4
126.05493	0.9
127.03917	0.9
131.76822	0.7
134.99644	1.3
143.08154	0.9
145.04982	1.6
146.02261	0.9
146.99686	0.9
149.01271	1.1
149.02814	0.8
158.99673	2.3
161.01315	0.8
168.03638	0.8
170.05177	0.9
177.00725	2.4
177.04181	2.4
178.04993	1.0
189.00653	0.8
200.04451	1.3
205.00148	1.0
206.98181	0.9
219.01797	1.9
231.30006	0.7
232.99634	0.8
237.02892	2.1
249.06303	2.4
258.06842	6.0
263.00552	0.9
264.50977	0.7
279.04190	0.9
313.38693	0.7
339.09702	1.5
353.07855	1.0
391.02783	1.6
451.04852	100.0
452.05136	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	450.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.5
55.01862	1.5
55.05504	4.1
56.05026	1.4
56.96542	1.6
57.03439	6.9
57.07066	2.0
59.04973	1.2
61.02914	4.3
65.03941	1.8
67.05500	4.5
67.94820	1.1
69.03434	7.4
69.07068	8.5
70.06590	6.6
71.04992	21.0
71.60244	2.4
72.08154	4.2
73.02900	4.8
73.72678	1.1
75.04481	2.0
79.05484	6.8
80.55800	1.1
81.03413	2.5
81.07058	7.9
82.06570	1.3
83.04993	6.6
83.08611	2.3
84.04498	2.7
84.08149	5.7
85.02906	38.8
85.06534	1.7
86.09699	4.4
87.04439	2.1
91.05476	7.4
93.07037	12.2
94.06563	2.0
95.04963	4.0
95.08601	10.9
96.08145	1.3
97.02897	7.0
97.06510	3.3
98.97556	1.4
99.04459	1.5
102.05508	1.0
103.05458	1.1
105.07029	16.6
107.04959	30.9
107.08596	9.0
108.08109	5.8
109.02874	4.0
109.06504	2.5
109.10165	8.6
111.04436	2.3
111.08062	1.7
113.06023	2.5
115.07574	3.8
116.07095	1.4
116.98627	2.6
117.07016	2.3
118.06561	2.8
119.04952	2.6
119.05788	1.1
119.07314	1.6
119.08582	29.9
120.08106	19.0
121.06497	2.8
121.10143	8.7
123.04378	1.6
123.08076	2.4
123.11695	2.5
124.07594	5.5
125.09592	1.4
126.09144	3.0
127.03918	4.4
127.08659	1.2
129.05472	7.7
129.06982	2.1
130.06517	3.0
131.08560	5.0
133.10126	27.1
134.99617	1.5
135.04407	1.2
135.08003	1.3
135.11681	4.6
136.07574	31.7
137.05969	2.0
137.09630	6.0
138.09132	2.7
139.03857	2.0
140.07066	3.6
141.06709	1.3
141.09119	1.1
142.07735	2.6
143.08533	3.2
144.09322	1.5
145.04958	4.5
145.10112	9.3
146.05986	1.6
147.06537	4.3
147.07927	1.1
147.11679	26.0
148.07556	7.5
149.06035	2.4
149.09627	1.5
153.01833	5.0
156.09297	2.0
157.10133	6.1
159.09164	2.5
159.11699	11.5
161.06006	4.0
161.09660	3.9
162.09140	1.4
162.52112	1.3
163.03909	3.8
163.06006	1.5
164.07086	16.8
166.08595	1.5
167.07011	2.8
167.10692	3.9
171.11745	3.3
173.13264	6.9
175.14828	100.0
176.15216	1.4
179.10672	4.4
182.08179	2.2
183.10428	1.8
184.12463	1.4
187.12296	3.4
187.14821	6.2
191.14392	1.6
193.15862	9.9
198.12816	1.2
199.08664	1.2
199.14856	14.1
205.15961	2.7
209.15359	3.5
214.11002	5.4
215.11839	4.0
215.15338	2.3
217.15877	29.0
223.09648	4.8
224.22820	1.2
225.13939	3.8
226.12312	3.1
227.11690	1.8
228.12512	4.7
235.16925	44.5
240.14299	1.6
242.14305	1.4
243.14920	34.0
248.08937	1.2
253.10786	2.6
253.13185	2.2
259.10861	1.5
271.14401	49.5
287.05508	3.4
288.05774	7.3
288.14093	1.7
289.06998	8.7
289.15475	99.7
302.12326	2.2
309.11865	1.6
356.56073	1.3
450.20776	6.1
451.20935	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	450.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	8.9
55.01871	7.9
55.05504	9.1
57.03428	7.2
57.07068	3.4
61.02919	6.3
67.05509	11.6
69.03423	25.2
69.07058	12.6
70.06583	4.3
71.04990	5.9
71.59633	2.9
73.02914	8.3
79.05487	8.3
79.13138	2.1
81.03419	23.9
81.07055	27.6
85.02908	66.4
85.06561	2.5
87.00839	24.5
87.04470	3.0
87.41508	2.0
91.05476	8.1
93.07045	31.3
94.06542	2.6
95.04962	6.3
95.08598	19.2
97.02888	34.2
97.06527	5.2
97.10168	2.3
98.97581	2.1
99.04461	15.9
105.01859	33.1
105.07012	11.1
107.07351	9.1
107.08583	29.3
108.08927	2.2
109.02882	23.7
109.06541	4.5
109.10146	14.5
115.03927	3.2
119.08571	6.7
121.10146	32.1
122.09637	11.9
123.11708	14.2
127.03917	48.0
131.08537	3.7
133.10159	6.4
135.04480	2.6
135.06801	3.1
135.08009	2.3
135.11702	4.3
136.70360	2.1
139.11211	2.3
139.99493	2.0
145.04958	25.2
145.10109	4.5
147.11703	5.6
149.13258	100.0
150.09148	85.7
151.14835	2.9
153.01839	4.1
159.02902	15.3
159.11676	3.6
161.13252	2.7
165.12759	14.6
167.14305	21.5
189.98106	2.0
196.69598	2.7
213.03975	2.8
213.10393	2.2
225.10182	3.3
229.19669	2.8
231.04907	13.2
239.11850	3.6
249.06061	3.2
255.11244	2.5
267.11237	4.4
272.06345	4.3
274.06940	4.1
279.11044	2.2
283.10864	2.2
287.05490	36.1
288.05832	86.5
289.05988	8.0
301.11771	14.0
313.11896	21.0
397.22421	3.6
424.00684	2.7
450.10556	3.6
450.20398	17.7
451.27127	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	450.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27145	1.4
53.03929	3.0
54.88217	1.3
55.01871	2.0
55.05514	9.6
57.03429	4.0
58.06592	2.0
61.02918	1.7
64.07681	1.5
67.05496	6.5
69.03428	9.6
69.06780	1.4
69.07071	17.6
70.06592	2.7
70.27342	6.0
71.04995	7.0
72.08150	1.5
73.02930	3.4
74.06071	2.1
79.05484	4.8
79.35925	1.3
81.03410	3.3
81.07065	12.7
83.04980	9.4
83.06076	1.6
83.08633	2.7
84.08120	2.6
85.02908	23.9
85.06525	2.7
86.09705	2.6
87.04430	2.0
91.03936	2.4
91.05486	17.0
93.07056	13.0
95.04952	3.4
95.08599	17.4
96.08131	3.4
97.02892	13.4
97.06546	11.6
98.06069	1.6
99.04445	3.6
99.08074	2.5
105.07021	8.9
107.08600	33.8
107.09296	1.6
109.02892	2.9
109.06528	4.1
109.10165	11.9
111.04445	2.2
111.08057	5.2
117.07017	2.2
118.06567	2.7
119.08575	14.7
119.14912	1.5
120.08134	2.5
121.06479	2.1
121.10143	25.6
122.06036	2.5
123.08058	8.1
123.11702	5.9
124.07571	11.3
124.08443	2.3
125.05956	1.5
125.09611	2.9
127.03917	8.7
127.11186	6.8
131.08582	9.1
133.10149	22.5
135.08057	10.1
135.11691	25.2
137.09602	5.3
137.13260	3.0
139.07596	1.9
139.11194	1.8
140.07092	7.6
141.07428	2.1
142.08620	1.6
144.09320	1.9
145.04977	13.0
145.10130	4.8
146.06000	2.7
147.04451	2.0
147.11702	16.3
148.07532	6.3
149.07925	3.7
149.09621	3.7
149.13263	15.1
151.11166	4.9
153.09138	8.8
155.10628	1.4
158.10902	2.7
161.13200	3.6
163.05992	5.2
163.14850	18.2
164.07079	5.1
165.07402	2.9
165.12788	6.0
173.13283	32.2
175.11125	1.8
175.14806	5.3
181.15784	1.7
182.08057	2.3
189.07542	4.4
189.12813	1.6
191.14307	65.9
206.10249	3.2
209.15370	100.0
210.15652	1.6
213.10075	1.5
217.12227	2.1
221.15111	1.5
224.11342	1.6
225.14828	1.7
227.16415	15.4
234.14827	1.8
244.15399	1.9
252.16083	2.0
252.19524	7.0
253.17609	1.7
259.14087	1.4
269.12973	1.9
270.13263	5.9
270.16904	2.4
270.20645	8.1
271.11545	2.0
287.13937	4.2
288.05835	2.6
288.14362	11.7
288.21420	2.8
302.11981	1.9
306.15350	4.3
432.26056	8.4
450.20300	5.0
450.26791	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	449.1078
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
51.11723	0.1
52.89406	0.1
62.25375	0.1
67.01862	0.4
68.99793	0.4
70.00603	0.5
72.08138	0.1
85.02892	0.2
86.09719	0.1
89.03896	0.1
92.55080	0.1
95.04951	0.1
119.04904	0.2
120.08070	0.1
121.02833	0.1
123.00760	0.2
124.53680	0.1
129.01830	0.1
135.04424	1.7
137.02339	0.4
153.01833	4.5
154.02208	0.1
161.02342	0.4
171.02917	0.5
179.03378	0.2
185.05945	0.2
203.03406	0.2
231.06459	0.3
241.04848	0.6
259.05917	0.2
263.05615	0.1
269.04404	0.5
271.05978	0.4
272.06320	0.2
273.06534	0.5
286.04926	0.1
287.05496	100.0
288.05829	2.4
303.90240	0.1
374.71655	0.1
449.10754	3.4
450.10797	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	449.1078
Annotation	luteolin-7-O-glucoside
Peak:m/z	Relative Intensity
53.00459	0.0
53.03910	0.0
55.01858	0.1
55.05477	0.0
57.03421	0.1
61.02905	0.1
67.01864	0.5
67.05489	0.1
68.99779	0.4
69.03424	0.3
69.07050	0.0
69.78188	0.2
69.78596	0.1
70.06555	0.1
71.04971	0.1
73.02890	0.1
73.47540	0.0
79.05455	0.1
81.03426	0.2
81.07020	0.1
84.04485	0.1
84.08121	0.1
85.02904	0.6
86.09709	0.3
87.04424	0.1
89.03890	0.1
91.03947	0.0
91.05399	0.0
92.24649	0.0
93.06989	0.1
94.06561	0.0
95.04940	0.0
95.08569	0.1
96.05291	0.0
97.02884	0.3
98.21490	0.0
99.08035	0.0
105.07018	0.1
107.04914	0.1
109.02867	0.1
109.06432	0.0
109.10124	0.1
111.00795	0.1
111.04383	0.1
113.94508	0.0
116.07037	0.1
117.03355	0.1
121.10069	0.1
127.03932	0.2
129.01813	0.2
129.10254	0.1
133.10127	0.1
135.04404	1.8
136.07574	0.2
137.02342	0.5
137.59756	0.0
138.09077	0.0
139.05438	0.0
141.71275	0.0
145.04999	0.1
149.02269	0.0
153.01820	4.8
154.02150	0.1
157.06448	0.0
161.02333	0.7
164.07076	0.2
171.02896	1.1
171.04373	0.1
179.03374	0.4
185.05919	0.1
187.21072	0.0
189.05385	0.0
199.03937	0.1
201.05484	0.1
203.03381	0.1
203.06964	0.1
213.05429	0.1
217.04919	0.1
219.06517	0.1
231.06544	0.1
241.04927	0.6
241.13338	0.1
242.05656	0.1
244.03825	0.0
245.04434	0.1
258.05179	0.1
259.06018	0.2
263.05417	0.1
269.04382	0.5
269.12790	0.1
271.05981	0.1
272.06396	0.0
286.04691	0.3
287.05478	100.0
288.05811	2.1
299.05673	0.0
303.04623	0.1
329.06448	0.2
332.11273	0.1
431.09525	0.1
431.19229	0.0
449.10770	22.8
450.11008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Chrysanthemin
Peak:m/z	Relative Intensity
67.01865	0.2
68.99788	0.4
70.16539	0.3
70.16934	0.3
111.00865	0.2
129.01831	0.2
135.04416	1.7
137.02353	0.5
142.26782	0.1
153.01820	5.1
157.13940	0.1
161.02310	0.6
171.02873	0.6
179.03386	0.3
185.05931	0.2
213.05472	0.2
241.04930	0.4
269.04471	0.4
287.05481	100.0
288.05798	3.1
324.86676	0.2
449.10666	0.8
468.54947	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	449.1083
Annotation	Maritimein
Peak:m/z	Relative Intensity
56.96560	0.4
61.33774	0.2
64.04031	0.2
67.01852	0.5
67.05513	0.2
67.36873	0.2
68.99776	0.4
69.03418	0.4
69.07033	0.2
70.85023	0.4
70.85354	0.2
79.05459	0.2
81.03409	0.3
81.07040	0.5
85.02856	0.6
93.07022	0.2
95.04926	0.2
95.08533	0.2
97.02887	0.4
105.07003	0.3
107.08560	0.4
109.10159	0.3
119.08613	0.2
131.08531	0.2
133.10062	0.2
135.04425	1.4
137.02336	0.5
153.01834	4.5
157.10092	0.2
161.02322	0.4
167.26651	0.2
171.02852	0.7
174.39185	0.2
183.37688	0.2
213.05519	0.2
241.05019	0.4
269.04477	0.6
271.05994	1.5
272.06387	0.7
273.06613	2.0
286.04755	0.3
287.05502	100.0
288.05869	2.0
319.24854	0.2
449.10818	22.1
450.11215	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	448.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99799	1.9
53.03936	3.9
55.01872	3.5
55.05503	8.2
56.05037	12.4
57.03429	4.5
58.06596	10.9
60.04522	3.1
61.02923	6.7
67.05498	11.4
68.05016	3.0
69.03432	17.4
69.07062	8.9
70.06593	10.6
71.04980	6.1
71.23456	3.5
72.08154	7.5
73.02900	2.9
74.06082	5.6
75.32750	2.2
76.04020	2.1
76.07632	5.7
78.63613	2.0
79.05479	9.6
79.80909	1.9
81.03404	7.1
81.07060	14.2
82.06570	6.2
83.04970	8.2
83.08626	4.5
84.04500	4.9
84.08140	5.5
85.02906	34.6
85.06548	4.7
86.06071	4.3
86.09711	15.8
87.04489	2.3
87.10044	3.6
91.05437	9.6
93.07066	12.4
94.02905	3.0
94.06580	11.2
95.04964	10.8
95.08591	11.9
96.08135	8.3
97.02892	13.1
97.06532	7.4
97.10136	3.0
98.06049	8.8
98.09721	3.5
99.04430	11.6
105.07033	13.8
107.04940	2.4
107.08607	18.5
108.08115	10.4
109.02883	4.1
109.06519	9.4
109.10158	12.9
110.06042	6.7
110.09683	4.4
111.08051	5.1
112.03973	11.0
112.07603	7.0
113.06010	5.2
113.16380	2.0
114.05562	3.3
114.09187	2.0
115.03901	2.5
116.07090	3.4
119.08594	14.6
120.08103	3.3
121.06525	2.0
121.10146	17.1
122.06032	25.1
122.09679	4.1
123.04409	2.7
123.08080	8.2
123.11703	7.0
124.07599	13.4
124.11256	2.1
125.05962	2.2
125.09617	4.9
126.05550	3.6
126.09170	2.5
127.03913	8.7
128.07057	2.5
130.06561	3.6
131.08580	7.3
133.09167	3.1
133.10110	19.5
135.08087	5.0
135.11687	4.9
136.07578	3.4
137.09627	4.5
138.05495	2.3
139.03941	4.4
140.05960	3.0
140.07063	59.9
142.08652	2.2
143.08568	2.7
145.04953	3.9
145.10150	7.8
145.58829	2.1
146.05998	10.0
147.11673	11.8
148.06386	3.2
148.07574	53.2
148.11182	3.2
149.09631	11.3
149.13257	5.3
151.07526	3.3
151.11205	5.6
152.07069	2.3
154.08597	11.7
157.04977	4.2
157.07610	9.3
158.06018	3.7
159.11708	3.5
160.11302	3.1
161.05977	2.9
161.13231	5.0
163.11234	4.9
164.07033	12.1
171.11621	2.7
173.09564	2.2
173.13269	10.3
174.12877	3.2
175.11259	2.8
177.05531	2.3
177.12781	3.6
177.39430	2.2
186.07626	9.2
187.05997	2.3
187.08701	4.9
189.12692	6.1
190.12807	2.5
191.14349	12.1
194.11719	3.0
204.08669	31.4
207.13794	8.3
209.15341	10.7
215.14304	2.3
225.14841	14.6
232.16991	9.1
233.15352	3.1
242.09175	4.2
250.18040	28.0
251.16435	8.7
252.19698	3.1
260.10300	3.0
264.23456	2.4
268.19138	34.0
269.12955	7.4
269.17325	3.8
271.06027	7.2
272.06354	14.9
280.22745	3.0
286.20181	20.6
287.05511	32.4
287.13892	33.7
308.11288	7.7
412.23563	7.3
430.24445	63.1
448.18823	11.2
448.25385	100.0
449.15222	3.1
449.19440	8.9
449.25000	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	448.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79360	0.4
53.03927	0.7
55.01862	0.6
55.05512	2.6
56.05005	0.7
56.96549	0.5
57.03419	0.6
60.59331	0.4
61.02897	1.0
65.63242	0.4
67.01826	0.5
67.05508	2.7
68.99767	0.8
69.03085	0.4
69.03419	3.0
69.07067	7.3
69.78342	0.6
69.78751	2.7
70.06560	1.0
71.04954	1.2
78.75093	0.4
79.05505	4.1
81.03381	1.3
81.07066	4.4
82.06577	0.6
83.04984	3.6
84.08118	1.7
85.02907	6.3
85.06524	0.7
86.06004	0.5
87.04428	0.9
91.05478	3.8
93.07040	4.6
95.04943	1.2
95.08616	2.7
96.08068	0.6
97.02851	1.7
97.05925	0.6
97.06529	10.7
99.04469	5.3
105.06396	0.5
105.07030	5.8
107.04962	3.0
107.08611	4.9
109.06492	1.9
109.10151	0.6
115.07516	0.7
117.06976	1.8
118.22726	0.4
119.04937	3.4
119.08568	2.2
120.05221	0.7
120.08011	0.6
121.06512	6.9
121.10110	1.8
125.05994	7.2
127.03893	1.8
127.07572	0.4
129.06981	0.6
131.08539	2.6
133.06442	1.0
133.10136	2.1
135.04381	2.0
135.08018	0.8
135.11670	1.2
137.02365	0.6
137.05937	1.6
139.07495	0.8
143.07040	11.9
143.08348	0.8
143.08585	0.9
144.09299	0.6
145.04930	0.6
145.06456	1.5
145.10127	14.9
147.08026	0.5
147.11656	1.6
149.02350	0.5
151.07506	1.3
153.01828	8.0
154.02147	1.0
154.07793	0.7
155.08531	0.5
157.08669	0.5
157.10117	0.6
158.07257	1.8
159.08022	1.4
159.11707	5.8
161.02338	0.6
161.09578	0.5
161.13220	0.5
163.11177	26.3
169.10080	2.0
171.02875	0.7
171.11646	0.5
172.08656	0.5
173.08125	0.7
173.09618	12.8
177.12759	1.1
181.12106	0.5
187.11185	10.6
189.12776	1.1
191.10677	6.0
197.09601	1.5
203.56865	0.4
205.12238	13.4
209.11652	1.2
215.10674	12.2
223.13341	1.1
233.11737	22.7
233.15401	1.1
234.12106	0.6
250.25346	4.9
251.12804	10.7
258.05103	0.5
268.26334	6.4
269.13885	7.5
271.06012	25.9
272.06345	61.4
273.06604	3.1
286.04779	1.3
286.27359	10.6
287.05499	100.0
327.09818	0.5
430.31183	0.8
448.09845	3.3
448.32712	22.3
449.10785	11.5
449.16742	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	447.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84412	0.4
53.03921	1.5
55.01870	1.9
55.05507	7.4
57.03439	2.6
57.07064	0.6
65.03931	0.9
67.01832	0.4
67.05505	13.4
69.03395	1.2
69.07066	3.0
69.86198	0.9
69.86604	1.9
71.01357	0.4
71.04980	1.1
73.02877	0.4
79.05491	13.9
81.03422	17.0
81.07057	10.1
83.04974	2.8
83.08624	5.7
85.02898	0.4
85.06506	1.3
91.05476	12.9
92.23232	0.4
93.07046	13.8
95.04971	10.8
95.08611	5.3
97.02906	0.7
97.06526	3.4
97.10176	4.1
99.08092	0.6
103.05423	0.6
105.06380	0.6
105.07034	7.7
107.04959	3.1
107.08591	8.4
109.06522	2.1
109.10159	3.3
111.04462	0.6
111.08079	2.2
115.05466	0.8
117.07020	3.7
119.04941	1.8
119.07810	0.4
119.08585	6.1
121.02854	0.5
121.06493	3.4
121.10127	3.4
123.08031	1.5
125.09638	2.8
128.06194	1.0
129.07013	4.3
129.99368	0.4
131.04941	1.1
131.07674	0.6
131.08569	4.6
133.06465	2.0
133.09258	0.4
133.10127	2.9
135.08047	1.7
135.10703	0.4
135.11696	8.7
137.05957	0.5
137.09572	1.1
141.06973	1.3
141.31506	0.5
142.07779	0.8
143.08556	2.1
145.02846	0.5
145.06487	2.2
145.10109	3.9
147.08078	1.9
147.11691	2.3
149.02293	1.3
149.09639	2.3
149.10614	0.4
151.11124	0.4
153.01834	3.7
155.08499	1.6
157.10135	2.2
159.08031	0.9
159.11630	1.8
161.09630	0.6
163.11194	3.2
169.10086	0.9
171.02861	0.5
171.11717	1.1
175.07497	0.4
175.11197	2.1
177.12787	0.6
181.10097	0.4
181.12198	1.4
183.11726	1.1
185.09546	0.6
185.13232	2.0
187.11214	1.3
189.09094	0.7
189.11235	1.9
189.12744	0.5
193.12245	7.6
197.13297	1.0
199.11198	0.6
201.12741	0.8
203.10597	0.9
203.14284	2.0
205.12202	0.7
213.12729	0.6
223.13066	0.6
227.12683	0.9
229.12273	0.7
231.13745	0.7
239.14270	0.4
249.14818	1.8
257.04474	1.0
257.15329	0.7
271.06012	100.0
272.06351	8.1
275.16406	0.5
311.20126	0.8
319.20590	0.5
327.23157	0.8
329.21216	2.9
337.21542	2.2
347.22183	1.2
355.22626	6.1
373.23633	3.6
391.24670	0.5
403.24817	3.4
411.25247	0.6
415.15076	0.4
429.26208	5.9
447.09537	3.4
447.27426	48.5
448.27719	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	447.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28262	0.3
52.13058	0.4
53.03923	1.4
55.01852	1.5
55.05267	0.4
55.05510	6.5
57.03429	2.3
57.07071	0.5
60.09280	0.3
61.02919	0.3
65.03922	0.9
67.05507	11.5
69.03422	1.2
69.07069	3.6
70.86183	1.2
71.01327	1.1
71.04968	0.8
79.05494	12.1
81.03419	16.4
81.07055	9.1
82.63776	0.3
83.04989	2.7
83.08618	4.9
85.02884	0.7
85.06530	0.9
91.05481	11.1
93.06480	0.7
93.07046	11.2
95.04971	10.2
95.08597	4.2
97.02866	1.0
97.06526	2.5
97.10176	3.3
105.07037	6.0
107.04973	3.2
107.08593	7.5
109.06496	1.5
109.10138	2.9
111.04387	0.4
111.08057	1.7
115.05431	0.8
117.07019	3.6
119.04963	2.2
119.08576	4.7
121.02934	0.5
121.06519	2.6
121.10147	3.0
123.08022	1.1
123.11667	0.5
125.09620	2.3
128.06171	0.5
129.07008	3.4
131.04843	0.4
131.08574	4.1
133.06479	2.3
133.10153	2.9
135.08058	1.2
135.11696	7.3
136.12057	0.4
137.05991	0.6
137.09612	0.9
141.06950	1.0
142.07794	0.7
143.08545	2.0
145.02858	0.7
145.06444	2.1
145.10112	3.6
147.08058	2.0
147.11659	1.5
149.02309	1.1
149.09595	1.8
151.07530	0.9
153.01849	4.0
153.07143	0.4
155.08601	0.5
157.10168	2.9
159.08034	1.0
159.11691	1.4
161.05879	0.6
161.09650	0.7
161.13283	0.4
163.11162	2.5
169.10104	0.9
171.02980	0.9
171.08040	0.5
171.11667	0.6
173.09604	0.7
173.13260	0.6
175.11189	1.8
177.12767	0.5
181.12238	1.6
183.11728	1.0
185.13264	1.2
187.11229	1.1
189.09160	0.5
189.11292	1.2
191.10640	0.4
193.12256	7.2
197.13194	0.5
199.11211	0.7
201.12686	0.9
203.10753	0.8
203.14362	1.4
211.13094	0.5
223.13150	0.5
225.12804	0.5
227.12773	0.7
229.15948	0.5
231.13824	0.7
249.14813	1.1
255.13655	0.5
257.04489	0.6
261.14822	0.6
271.06021	100.0
272.06348	9.6
273.75928	0.4
273.80560	0.4
285.10257	0.7
311.19894	0.5
327.23303	0.9
329.21133	3.9
337.21594	1.2
347.22137	0.9
355.22656	4.0
373.23837	1.7
383.21320	0.4
391.25171	0.7
403.24838	3.8
429.26163	2.9
447.09650	3.2
447.27441	36.5
448.27734	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	447.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.9
55.01872	0.8
55.05301	0.4
55.05515	5.0
56.96551	0.9
57.03441	3.9
57.07072	0.6
61.02908	0.6
65.03936	0.8
67.05506	14.0
69.03430	1.0
69.07074	3.6
71.01321	0.7
71.04993	1.1
71.60534	1.0
79.05049	0.9
79.05492	11.1
81.02983	0.7
81.03420	9.9
81.06577	0.8
81.07056	12.8
83.04976	1.9
83.08620	4.2
85.02904	0.8
85.06544	0.7
91.05479	9.2
93.07046	12.4
94.91972	0.6
95.04978	8.1
95.08611	8.0
97.02873	0.5
97.06519	2.3
97.10172	3.2
105.04526	0.5
105.07037	6.6
107.04940	2.2
107.08590	7.8
109.06524	1.8
109.10179	3.2
111.04443	0.5
111.08068	1.5
113.00014	8.1
117.07018	3.2
119.04922	2.2
119.08574	5.2
121.02882	0.5
121.06490	1.8
121.10126	3.3
123.08080	1.3
123.11706	1.0
125.09599	1.5
128.06212	0.5
129.06992	2.2
131.04880	0.6
131.08563	4.8
133.06471	0.9
133.10139	3.0
135.08078	1.6
135.11700	5.8
142.07799	0.8
143.08566	1.5
145.06520	1.2
145.10147	2.9
147.08052	1.1
147.11693	2.3
149.02353	1.1
149.09621	0.9
149.13191	0.7
151.07408	0.7
153.01862	3.7
155.08585	0.9
157.06531	0.8
157.10161	2.0
159.08040	0.8
159.11684	1.9
161.13237	1.1
163.11198	2.1
163.14854	1.3
165.12785	0.5
169.02612	3.9
169.10132	0.9
171.02916	0.9
173.09573	0.6
173.13226	1.6
175.11230	1.7
181.12225	0.8
185.13234	1.8
187.03679	1.0
187.11165	0.6
189.11227	1.1
193.12248	5.0
199.11145	0.7
203.14400	1.2
205.12051	0.5
213.12737	0.6
217.07373	0.5
225.12773	0.8
229.07425	0.7
231.13896	0.6
243.21085	2.8
249.15015	0.9
257.04446	1.0
259.20697	0.5
261.22147	3.5
271.06021	100.0
272.06357	8.4
285.10074	1.2
329.21075	2.0
335.25815	13.3
336.25928	0.6
337.21637	1.1
355.22693	3.2
367.18225	0.7
373.23645	0.8
403.24536	2.1
429.26251	2.8
447.09348	4.9
447.27374	26.1
448.09723	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	447.2507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68710	0.5
53.03939	1.0
55.01871	0.9
55.05510	4.8
56.96561	0.9
57.03438	3.2
57.07057	0.7
65.03937	0.7
67.01852	0.6
67.05502	13.6
69.03458	0.6
69.07067	2.8
71.01349	0.6
71.04984	0.8
71.60168	0.7
73.02920	0.5
77.03895	0.6
79.05060	1.0
79.05486	11.8
81.02978	0.7
81.03422	9.3
81.07059	11.4
83.04963	1.5
83.08630	3.5
85.02892	0.8
85.06528	0.8
89.56787	0.4
91.05477	8.9
93.07043	11.6
95.04969	6.2
95.08606	8.3
97.02898	0.6
97.06505	1.1
97.10178	2.5
97.37762	0.6
101.96162	0.5
105.07027	6.3
107.04936	2.1
107.08584	7.8
109.06521	1.3
109.10187	3.8
111.08056	1.9
113.00024	9.2
115.05462	0.7
117.07043	2.7
119.04915	2.3
119.08597	4.3
121.02836	0.6
121.06500	1.9
121.10137	4.3
123.08089	0.8
123.11633	1.2
125.09624	2.1
128.06172	0.5
129.07019	2.5
131.08545	4.1
133.06459	1.3
133.10110	2.5
135.08052	1.4
135.11684	5.6
137.09584	0.9
143.08569	1.4
143.20595	0.5
145.06459	1.6
145.10109	2.7
147.08057	1.1
147.11664	1.6
149.02303	1.4
149.09602	0.9
149.13258	1.6
153.01802	2.8
153.12717	0.7
157.10147	1.4
159.08046	1.1
159.11676	1.7
161.13248	1.1
163.11191	1.5
163.14815	0.8
169.02649	4.3
173.13303	0.9
175.11212	1.4
175.14816	0.7
181.12175	0.7
183.11714	0.6
185.13268	0.7
187.03682	1.6
187.11157	1.0
187.14868	1.0
191.13870	0.5
193.12138	3.0
203.14290	0.6
229.07317	1.2
231.08943	0.6
243.21198	2.6
257.04449	0.6
261.22101	3.4
271.06009	100.0
272.06360	8.5
285.10352	0.5
299.23483	0.6
317.24609	1.2
329.21066	1.2
335.25806	14.8
336.26242	0.6
355.22702	2.1
367.18039	0.8
373.23730	1.4
403.24759	1.6
416.58841	0.7
429.26428	2.5
447.09302	3.4
447.27411	22.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.9
55.01865	1.2
55.05509	3.3
57.03442	5.6
61.02926	10.0
65.03935	0.5
67.05508	7.0
69.03432	6.7
69.07078	2.5
70.06606	0.9
70.90712	1.3
71.01351	0.8
71.04986	1.8
72.08138	0.9
73.02920	6.0
74.06096	0.5
79.05493	7.1
81.03417	18.2
81.07056	8.7
83.04981	5.0
83.08620	4.8
84.08135	1.3
85.02905	16.9
85.06554	1.1
86.09714	3.1
87.04446	0.9
91.03957	6.1
91.05462	9.1
93.07037	5.7
95.04971	6.6
95.08609	2.3
97.02885	10.2
97.06505	1.0
97.10168	1.1
99.00817	0.5
99.04426	1.6
101.02372	2.2
102.05503	0.5
103.03945	1.3
105.07032	7.1
107.04936	2.3
107.08577	1.9
109.02859	3.0
109.06490	1.1
109.10146	0.9
111.04426	1.8
111.08105	2.9
113.49440	0.4
117.07030	0.5
119.08562	4.6
120.08130	0.9
121.06504	0.5
121.10116	2.2
123.08041	0.8
125.09601	0.6
127.03911	5.9
129.05466	1.8
129.06996	2.1
131.08574	3.6
133.10127	4.1
137.02406	0.5
139.65590	0.5
142.07771	1.0
145.04950	1.3
145.10150	0.7
147.08136	0.7
147.11678	4.9
149.02371	0.8
149.09605	1.9
157.06480	0.4
157.10132	4.7
163.11197	1.0
165.12721	1.6
167.05518	0.7
169.06491	0.6
173.05980	0.8
175.11197	5.1
183.06563	1.0
187.03871	0.6
193.12245	20.0
197.06113	0.5
201.07584	0.8
211.13297	19.4
227.13014	0.6
229.05013	0.6
243.06487	0.6
253.05013	1.0
266.50833	0.4
267.15900	4.7
271.06012	100.0
272.06332	7.7
278.15988	0.5
285.16962	22.5
287.05499	1.3
393.18765	0.6
411.20126	0.9
429.16418	0.5
429.21259	2.9
447.09232	2.1
447.22684	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	447.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.2
55.05503	0.5
56.48315	0.2
57.03419	0.3
59.04988	0.7
61.02918	0.3
67.01850	0.5
67.05495	0.5
68.99792	0.3
69.03422	0.5
69.07075	0.4
69.38414	1.5
70.06582	0.3
73.02917	0.3
79.05471	0.3
79.35250	0.2
81.03410	1.5
81.07042	0.8
83.04977	0.5
83.08609	0.3
85.02904	1.2
86.09685	0.6
89.06021	0.4
91.05454	0.5
93.07031	0.5
95.04945	0.4
95.08595	0.5
97.02872	0.6
98.20779	0.4
99.04461	0.2
103.07551	0.5
105.07014	0.6
107.04935	0.2
107.08565	0.4
109.02886	0.3
109.10109	0.2
111.08053	0.3
116.10715	0.2
119.04921	1.8
119.08584	0.4
121.02859	0.4
121.10120	0.4
127.03868	0.3
129.01830	0.2
131.08595	0.3
133.08580	0.3
133.10155	0.4
145.02838	0.5
147.11757	0.3
148.07419	0.2
149.02351	0.4
153.01819	3.7
157.10155	0.4
163.03918	0.4
171.02840	0.6
175.11166	0.4
176.07008	0.2
193.12210	1.3
203.03375	1.4
211.13254	0.9
212.07092	0.5
217.12350	0.2
229.05042	1.3
243.06572	0.4
257.04449	10.5
258.05194	0.5
260.09180	0.4
267.15900	0.4
271.05997	100.0
272.06342	1.6
278.10220	0.6
285.03879	2.8
285.16986	1.8
286.04581	0.5
287.05475	2.5
297.08066	0.2
305.99045	0.2
447.09366	3.9
447.15387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0918
Annotation	Baicalin
Peak:m/z	Relative Intensity
55.23278	0.1
58.46697	0.1
67.01852	0.4
68.99793	0.3
70.25117	0.5
72.55772	0.1
91.05469	0.4
119.04953	1.9
121.02875	0.5
145.02792	0.7
153.01831	4.7
163.03899	0.4
171.02905	0.5
225.05399	0.2
226.88065	0.1
229.04962	0.3
243.06496	0.2
253.04805	0.2
271.05997	100.0
272.06339	0.8
447.09198	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	446.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
55.01863	3.0
55.05512	5.7
56.89925	0.7
56.96566	24.2
57.03441	7.3
57.07065	2.8
59.04995	0.9
60.19186	0.7
61.02928	13.0
64.66903	0.7
65.03944	1.2
67.05500	10.4
68.05836	0.8
69.03431	8.2
69.07061	2.9
71.01328	1.0
71.05009	2.4
71.60956	1.3
71.61310	0.8
71.95240	1.7
73.02917	11.3
79.05495	6.2
81.03423	11.5
81.07062	9.8
82.04198	1.1
82.07372	1.2
83.04978	3.3
83.08606	4.2
84.96027	1.7
85.02425	1.5
85.02905	15.8
85.06564	1.1
87.04441	0.8
91.03963	10.3
91.05460	5.9
93.07043	5.1
93.35459	0.7
95.04442	0.7
95.04964	5.2
95.08600	7.0
97.02894	13.4
97.06509	2.5
97.10155	2.6
98.97576	5.0
99.04449	2.4
101.02382	2.9
103.03963	1.7
105.07021	4.0
106.07352	1.1
106.60723	0.7
107.04975	0.9
107.08604	3.5
108.08924	1.4
109.02879	1.8
109.06538	1.8
109.10159	4.8
110.10482	1.1
110.97549	1.7
111.04472	1.8
111.08067	1.0
116.10746	0.9
116.98615	4.3
117.07027	0.9
119.04877	1.0
119.08564	2.6
120.02586	1.0
120.08941	1.1
121.06533	0.9
121.10138	3.0
123.08082	6.1
123.11696	3.7
124.08427	1.3
124.11971	1.0
125.09637	2.7
127.03927	4.3
127.11191	1.3
128.98613	3.5
129.05499	3.2
131.00166	1.4
131.08534	1.7
133.10107	2.4
134.99663	2.9
135.08029	1.5
135.11676	1.5
143.00110	1.1
143.05388	0.9
145.04959	2.2
145.10106	2.1
146.99643	3.9
147.03116	1.1
147.11700	2.1
149.01224	2.3
149.09631	1.2
151.07545	54.5
152.07884	24.2
153.01875	2.4
155.03859	0.8
156.03596	0.9
157.01686	2.3
157.10130	2.1
158.99617	2.1
161.01180	2.4
163.11159	1.3
164.05899	1.5
167.03735	1.0
170.99593	1.5
171.03239	1.2
171.06676	1.8
173.11717	0.7
175.02800	1.9
175.11194	2.7
176.11517	1.1
177.00684	4.5
179.06496	1.4
180.07135	2.0
182.03311	1.0
183.06648	1.0
185.04892	2.2
189.00696	3.8
189.04372	1.5
189.12735	0.9
191.02246	1.3
191.03888	1.5
191.10683	2.3
192.07146	0.9
192.11014	1.0
193.12202	4.1
194.12535	0.8
199.06342	1.3
200.02422	0.8
200.04359	0.9
200.07050	1.1
201.00789	1.2
201.04346	1.1
201.07646	1.3
203.02315	1.1
203.05864	4.8
211.05528	1.1
211.06195	1.0
211.13383	4.7
213.07935	0.9
215.07555	1.2
217.07446	4.5
219.01653	2.2
219.05188	4.1
220.05981	2.5
223.06328	0.9
227.12857	2.0
228.05701	1.7
229.07365	2.5
229.09158	2.6
231.09192	0.8
231.56610	0.9
234.08374	1.4
237.02786	1.6
237.08110	1.6
239.56534	1.9
240.05844	1.1
241.04639	1.2
243.08852	10.6
243.58955	2.1
246.05678	0.9
247.08446	1.0
249.06020	1.0
249.08185	1.4
251.08577	1.9
255.09015	2.7
261.09973	1.1
261.56116	0.9
264.09366	0.8
265.05048	0.8
265.07611	1.2
267.09039	25.8
267.15790	0.9
268.09427	2.4
271.06021	100.0
273.09973	4.1
276.06738	2.1
279.03931	1.6
282.10352	1.7
283.08578	2.6
285.10098	65.3
285.16904	2.3
286.10446	6.9
290.10547	2.3
291.10925	1.2
296.10214	1.6
301.09619	1.7
301.16470	3.6
303.11191	4.2
304.09821	1.3
308.11655	9.8
309.11816	1.0
315.11017	1.7
318.11459	1.6
321.05017	1.7
323.10757	0.9
324.11462	41.5
324.61533	8.7
332.11038	2.7
346.14560	2.6
360.12479	2.6
395.66599	1.0
428.32379	1.3
437.09601	0.9
446.17850	11.8
446.29721	1.1
446.68063	3.2
447.08948	3.9
463.21448	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.404
Annotation	CHEBI:69206
Peak:m/z	Relative Intensity
50.78490	6.6
55.05502	34.9
57.07074	11.0
67.05499	39.5
69.07073	54.6
71.04985	15.0
79.05505	20.5
79.79418	6.0
81.07050	88.0
82.32539	5.8
83.08620	27.0
85.06554	25.7
85.10172	7.3
91.05422	11.2
93.07047	45.6
95.08605	96.7
95.58778	5.8
97.10133	9.0
99.08096	9.4
105.07029	32.3
107.08598	65.4
109.10146	100.0
110.10505	6.6
111.11700	8.4
119.08588	35.3
121.10139	74.7
123.11713	51.2
127.11192	20.4
129.34987	6.5
131.08527	8.6
133.10144	31.1
135.11697	56.6
137.13268	23.6
139.11139	5.9
145.10127	17.2
147.11690	28.5
149.13246	40.9
159.11671	17.2
160.87450	6.8
161.13272	21.8
163.14864	19.6
167.07117	8.0
177.16405	12.8
186.37199	7.4
189.16399	15.2
191.17896	33.7
201.16460	9.5
203.17935	24.4
205.19609	11.3
209.42404	5.9
215.17917	6.0
217.19507	15.1
233.19218	6.9
256.41611	7.7
371.33304	8.3
427.39316	73.8
445.20819	9.9
445.29120	18.2
445.40170	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	445.3676
Annotation	BLAZEIN
Peak:m/z	Relative Intensity
55.05508	28.3
57.07074	52.0
65.42070	19.6
67.05510	32.8
69.07076	100.0
71.02542	21.4
71.02878	48.7
78.04586	21.2
81.07057	41.4
83.08622	53.3
93.07024	38.1
95.08574	42.1
107.08585	44.3
109.10137	26.4
111.11720	24.6
123.11666	23.6
139.07550	61.5
165.09146	80.6
171.11783	23.9
177.09050	26.0
427.35547	31.2
445.36984	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	445.3677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54334	14.2
54.27364	13.4
55.05508	41.9
55.25370	13.0
57.07073	58.9
59.90950	15.3
67.05501	20.8
69.07066	49.8
70.72779	43.2
71.08629	55.8
79.05481	16.2
81.07066	30.9
83.01346	16.6
83.08612	51.0
85.10176	22.6
85.71539	15.1
91.05838	17.2
93.07060	15.4
95.08657	15.2
97.10194	25.1
109.06509	56.5
109.10149	19.4
111.11674	13.5
123.11740	14.7
130.32330	14.2
135.08089	23.8
137.06000	100.0
139.07539	27.3
145.28923	13.2
149.09621	25.9
151.07539	39.9
157.10284	19.7
161.09651	19.0
165.09129	45.8
177.09045	22.2
191.10677	19.3
193.12321	20.7
202.44437	16.4
203.14207	16.3
207.13795	24.8
221.15483	15.1
251.93309	15.3
385.34674	41.9
399.36258	29.3
403.35672	51.0
417.37177	42.5
427.35660	29.6
445.36853	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05259	0.3
55.05499	1.4
56.45781	0.2
57.07066	0.4
58.18518	0.3
61.80220	0.2
62.14159	0.3
62.51768	0.3
67.05506	5.0
69.03429	1.4
69.07068	2.2
70.06593	0.5
70.17984	1.2
71.04984	0.7
72.08145	0.3
79.05495	1.6
81.07055	7.1
83.04964	0.8
83.08627	0.7
84.34790	0.3
85.02887	0.7
85.06542	0.9
86.09728	0.4
91.05440	0.7
91.05903	0.3
93.07052	3.0
95.04949	0.6
95.08605	8.8
97.02876	0.4
97.06527	0.6
97.10159	0.7
98.20886	0.4
98.97556	0.3
99.08084	0.5
103.05508	0.4
105.07028	2.1
107.08587	2.0
108.05728	0.8
109.06516	0.6
109.10146	3.9
111.04456	0.6
111.08054	0.3
119.08563	1.3
120.08092	1.0
121.06483	0.6
121.10122	1.4
123.08070	8.7
123.11701	4.0
125.09610	0.5
127.04011	0.3
127.11218	0.3
131.08563	0.5
133.10139	1.2
135.08078	1.7
135.11703	0.8
137.05907	0.5
137.13254	1.1
139.11171	0.5
141.12711	0.3
142.08696	0.3
145.10110	0.8
147.11696	0.8
149.09637	0.5
149.13297	0.9
151.07539	100.0
152.07886	1.7
153.12726	0.3
157.10138	0.4
159.11676	0.4
161.09596	1.8
161.13206	0.5
163.11203	1.0
165.09142	1.5
167.05643	0.3
167.07002	0.3
169.12267	0.3
171.11726	0.3
173.09631	0.9
173.13075	0.3
175.11125	1.4
176.08299	0.7
177.09122	3.0
179.10680	0.5
183.83984	0.2
187.11171	0.8
187.13177	0.4
189.09138	0.7
189.12755	0.9
191.10661	12.0
191.18121	0.3
192.11035	0.3
199.11197	1.6
202.09863	0.4
203.10715	1.3
205.12231	4.1
213.12758	0.3
215.14310	0.6
217.12201	1.2
219.13838	0.4
231.13820	1.0
235.09875	0.2
237.18694	0.3
253.21547	0.5
277.25241	0.5
285.10175	0.4
286.69031	0.3
287.19968	0.4
289.25250	0.5
299.13934	0.4
303.19620	0.6
307.26312	1.2
313.19077	0.4
359.02905	0.5
409.31104	1.4
427.32144	3.7
445.24783	0.6
445.33124	1.0
446.20822	0.8
468.37393	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.9
55.01884	2.0
55.05508	8.1
57.03439	10.1
57.07080	2.3
67.05505	22.9
69.07050	6.9
70.25974	3.5
70.26389	6.2
71.04990	3.7
79.05490	23.2
81.03406	5.4
81.07056	25.6
83.04948	2.2
85.06538	3.0
91.05438	19.9
93.07044	27.6
95.04948	5.5
95.08617	20.9
97.02903	2.1
97.06544	4.3
105.07027	26.5
107.04965	2.1
107.08606	20.7
109.06487	2.1
109.10161	9.9
113.00011	72.2
117.07011	6.1
119.08580	30.8
121.10121	13.2
123.08054	3.7
123.11652	2.8
127.03802	2.1
129.05479	5.2
129.06993	5.4
131.08553	18.0
133.10118	21.0
135.11685	13.5
137.09563	4.1
143.08540	6.0
145.10123	14.6
147.07988	2.0
147.11679	17.2
149.13234	6.6
151.11166	1.9
155.07022	1.9
157.10110	5.5
159.11694	13.2
161.09590	1.9
161.13258	19.7
163.14842	4.7
165.09140	16.7
167.05551	1.7
169.02576	7.3
171.11697	9.8
173.13229	9.3
175.14827	15.7
185.13255	8.9
187.03670	12.4
187.14896	3.5
193.12267	2.4
199.14877	4.1
213.16350	2.6
215.17918	4.2
217.19540	7.0
231.21140	3.6
241.19507	35.0
243.20906	2.7
259.20538	29.5
275.20129	3.3
277.21555	2.1
315.23309	5.4
333.24246	100.0
334.24649	2.3
359.02802	2.4
425.99619	2.0
435.65405	1.8
442.84406	1.8
445.25549	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	445.1837
Annotation	Aglacin D
Peak:m/z	Relative Intensity
50.27777	0.7
51.51597	0.7
52.19623	0.6
52.84564	0.6
53.09858	0.7
54.78124	0.7
56.96560	2.2
57.03431	0.8
60.95845	1.1
61.02911	1.0
69.03435	3.5
70.06568	2.2
71.58389	0.8
72.08152	0.9
73.02916	2.4
73.04735	0.7
81.03376	1.1
83.83024	0.7
84.04522	0.7
85.02905	7.2
86.03234	0.7
86.06049	1.2
86.09689	1.2
87.04462	0.9
91.03948	0.8
91.05775	2.3
97.02895	2.9
98.97578	4.4
102.96858	4.6
110.01327	0.7
112.89614	2.3
114.89326	2.8
116.98614	2.8
119.01879	1.0
119.08768	0.8
120.97901	2.4
127.03905	3.6
128.98581	0.9
131.01895	0.8
132.97925	1.7
134.99683	1.8
138.98949	1.6
145.04968	1.3
146.99628	1.2
149.01205	0.8
150.98932	1.5
152.05757	0.9
158.99673	1.4
161.01212	1.1
161.02914	1.4
162.03635	1.6
162.99022	1.8
163.03958	1.7
165.00569	1.4
167.05670	0.9
171.04201	4.1
173.02957	0.9
177.00717	2.3
181.00029	2.0
182.54990	0.8
186.98988	0.7
189.00697	1.2
193.00041	2.2
193.03564	1.1
193.55260	0.8
203.04033	0.8
205.00032	3.0
207.01721	0.8
211.01082	0.7
219.01720	1.2
223.01155	3.7
232.90204	1.0
237.02832	2.4
237.06227	1.7
243.06349	1.6
245.11328	1.0
247.01013	1.0
252.06711	5.7
252.56870	0.9
257.61890	0.7
259.08347	1.0
265.02136	4.8
265.05374	1.1
273.06689	1.7
274.06207	2.6
283.03052	5.0
295.03262	1.1
313.22421	0.7
325.04282	3.0
333.09454	2.0
349.92859	0.8
355.05368	0.9
359.02875	1.4
445.11472	7.0
445.18356	100.0
446.12482	0.7
446.18689	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	445.1837
Annotation	Aglacin D
Peak:m/z	Relative Intensity
53.03938	3.1
56.05012	3.2
56.96557	13.6
57.03415	3.4
60.04504	2.8
61.02922	3.7
69.03423	6.2
69.07066	5.9
70.06590	17.0
71.04985	4.6
71.37473	6.1
72.08162	7.6
73.04752	5.8
79.05492	3.4
81.03417	3.8
81.07066	3.9
84.04481	3.4
84.08154	5.4
85.02923	18.8
85.06550	6.6
86.03205	2.8
86.09715	21.7
87.05599	3.5
91.05844	26.6
93.07019	5.5
94.06616	2.9
95.04968	2.6
95.08574	2.9
97.02902	7.4
98.97600	21.3
100.93008	2.7
108.79545	2.8
111.08058	3.5
116.98626	22.0
119.08556	5.1
123.08102	4.3
128.98601	5.9
134.99612	11.5
135.08080	3.0
138.09143	3.0
145.04990	3.7
146.99641	5.2
159.03308	6.0
167.05559	15.7
177.00700	7.9
225.04321	7.0
237.02724	15.6
245.27263	2.8
254.96919	2.8
265.11249	20.2
265.17917	6.9
283.09122	4.6
283.12082	18.4
295.12115	5.2
301.13324	5.9
307.11993	17.5
325.13187	14.5
342.99792	3.9
359.02768	18.6
427.16263	8.1
445.17990	100.0
463.18384	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	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.1
55.01873	9.6
55.05513	3.0
56.05048	4.0
57.03433	19.7
57.07073	12.9
59.05000	97.2
60.04559	2.6
61.02926	14.3
67.05492	3.0
69.03075	3.3
69.03429	39.5
69.07062	4.9
70.06594	10.3
71.01354	3.0
71.04982	9.0
71.60582	3.1
72.08149	9.1
73.02917	73.5
79.05485	3.9
80.94042	2.2
81.03406	6.6
81.07043	7.9
82.82781	1.7
83.04955	3.3
83.08634	1.8
84.04514	5.3
84.08144	5.0
85.02905	100.0
85.06544	8.1
86.06077	9.3
86.09701	32.2
86.10215	1.3
87.04469	5.3
91.03956	4.4
91.05400	3.3
91.05878	3.1
93.07045	6.2
95.04956	5.6
95.08597	3.3
97.02889	69.2
97.06519	2.8
98.97568	2.0
99.04449	6.9
99.05048	1.7
102.05572	2.5
103.03931	4.3
105.07043	7.0
107.08594	11.2
109.02889	6.6
109.06549	3.8
109.10211	1.7
113.06009	2.7
115.03936	27.9
115.11199	36.7
116.10735	2.4
116.98624	2.7
117.06895	1.9
119.08614	4.6
121.10147	4.0
122.09624	1.8
123.08044	2.0
124.07544	3.0
127.03916	30.4
129.05464	5.2
132.10202	1.8
133.04970	32.7
133.10172	11.9
133.12241	65.4
135.08041	2.9
135.11685	8.5
136.07591	3.7
143.11807	2.1
144.06543	3.1
145.04953	39.7
145.10120	2.2
151.76021	1.7
157.05017	3.1
161.09537	5.8
163.06042	13.2
167.05527	2.2
179.07056	4.4
179.10643	15.0
184.13281	4.2
193.05075	2.5
196.13280	2.7
197.11710	41.8
198.14912	6.2
205.07039	2.1
212.16672	1.8
214.14438	4.2
223.05922	8.6
228.15977	5.3
241.07069	8.5
259.08075	16.0
260.14856	17.2
264.16565	3.3
265.16492	3.4
277.09195	3.5
282.17285	1.9
283.15414	2.2
287.05530	19.6
295.10272	4.1
295.17426	2.9
359.02936	4.8
410.05896	1.8
427.16046	2.9
444.16235	2.6
444.25867	6.0
445.19138	3.2
445.24698	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	443.3883
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
55.05509	31.7
57.07059	9.7
67.05513	32.7
69.03432	6.4
69.07063	52.4
71.04984	9.7
79.05492	23.3
81.07053	75.1
83.08612	27.2
85.06542	45.1
91.05479	15.3
93.07040	47.8
95.08605	100.0
97.06525	13.9
97.10160	8.5
99.08074	8.6
105.07039	29.4
107.08592	69.6
109.09457	6.2
109.10155	83.9
111.08092	17.3
111.11691	8.2
119.08570	40.3
121.10143	60.0
123.11710	37.2
125.09615	10.4
131.08537	13.9
133.10123	29.8
135.07996	4.7
135.11684	53.2
137.13242	18.2
139.11156	7.2
145.10097	21.4
147.11661	29.6
149.13251	31.3
151.11255	4.1
151.14798	4.6
157.10130	7.1
159.11676	34.7
161.13268	21.8
163.14804	15.7
169.43810	3.3
171.11652	6.0
173.13309	16.6
175.14859	11.4
177.16411	12.8
187.14787	15.5
189.16383	18.8
191.17918	19.0
199.14719	5.8
201.16391	28.2
203.14333	3.2
203.17931	17.9
205.19505	9.3
213.16324	4.3
215.17969	12.1
217.19553	10.1
219.17490	6.9
229.19589	5.9
257.22699	5.1
261.22141	4.0
283.02853	3.9
347.33109	3.9
385.68091	3.4
407.36783	6.1
425.37750	58.7
426.37979	3.9
443.33517	4.4
443.39069	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3887
Annotation	Taraxast-20-ene-3beta,30-diol
Peak:m/z	Relative Intensity
50.90130	4.0
55.05505	27.2
57.07069	12.0
67.05506	34.3
69.03421	5.8
69.07071	50.8
71.04979	13.3
74.10847	3.6
79.05496	20.9
81.03452	3.2
81.07059	75.0
83.08620	30.9
85.06539	33.9
87.04444	5.0
91.05482	11.7
93.07036	47.1
95.04969	6.0
95.08610	100.0
97.06522	15.6
97.10174	8.7
99.08094	8.4
105.07040	38.8
107.08591	67.3
109.06631	5.5
109.10155	85.8
111.08069	6.3
111.11719	7.3
113.09612	4.4
119.08566	38.3
121.10150	53.7
123.11713	37.8
125.09626	9.3
127.11202	5.8
131.08578	10.0
133.10115	29.0
135.11703	48.1
137.13258	24.5
139.11125	4.5
145.10147	28.2
147.11703	38.8
149.13275	20.5
153.12735	4.8
157.10072	7.8
159.11708	35.0
161.13261	17.3
163.14812	17.3
171.11751	5.9
173.13263	17.3
175.14871	10.3
177.16367	9.9
187.14824	13.2
189.16451	20.4
191.17966	12.9
193.19562	3.9
199.14702	4.7
201.16385	28.4
203.17882	18.3
205.15930	5.4
205.19595	9.4
215.17979	12.8
217.19609	11.5
219.21187	5.1
229.19579	5.9
243.21280	4.2
274.38632	3.9
282.62341	4.3
283.24194	4.4
407.36636	7.7
425.37790	53.6
443.32339	9.1
443.38763	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	443.352
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.2
55.05506	0.9
55.40991	0.1
57.03423	0.2
57.07056	0.4
67.05501	4.3
69.03416	0.5
69.06773	0.2
69.07065	1.7
70.78339	0.5
71.04984	0.3
71.08643	0.2
79.05497	0.9
81.06580	0.3
81.07055	5.5
83.04961	0.7
83.08627	0.8
84.04476	0.2
85.02904	0.3
86.06068	0.3
91.05476	1.0
93.06550	0.2
93.07059	1.7
95.04961	0.4
95.08604	4.8
97.02906	0.3
97.06524	0.3
97.10160	0.6
99.08075	0.4
105.07016	1.0
107.04949	0.3
107.08591	1.3
109.06513	0.4
109.10154	6.0
110.10475	0.2
111.08078	0.2
111.11723	0.3
116.10743	0.3
117.06985	0.3
119.08581	2.7
121.06464	0.3
121.10138	1.1
122.07285	1.6
123.08096	0.4
123.11718	1.6
125.05984	0.2
125.09602	0.4
127.11149	0.2
129.82236	0.1
131.08533	0.4
132.90044	0.2
133.10109	0.5
133.30934	0.2
135.08060	0.7
135.11665	0.6
137.09613	10.2
137.13226	0.6
138.09937	0.2
142.82027	0.1
143.08585	0.1
145.10118	0.5
147.11678	0.5
149.09605	2.1
149.13257	0.6
151.07568	0.9
151.14799	0.4
153.09041	0.3
155.08582	0.2
157.10098	0.3
159.11758	0.3
161.09660	0.2
163.11165	0.3
163.14775	0.4
165.09105	100.0
166.09439	2.3
169.10002	0.2
169.69283	0.2
171.11729	0.2
173.09616	0.2
175.11169	0.5
177.09081	1.1
177.16380	0.4
179.10678	0.6
187.11243	0.4
189.09070	0.5
189.11269	0.1
189.12712	0.9
190.09871	0.3
191.07074	0.2
191.10648	0.6
191.17923	0.2
195.10118	0.6
203.14255	0.3
205.08221	0.2
205.12236	4.3
214.17943	0.3
217.12305	0.2
217.19576	0.2
221.15283	0.2
242.66324	0.2
247.16888	0.2
263.16510	0.3
273.25827	0.4
291.26736	0.7
317.95047	0.2
384.84320	0.2
425.26254	0.2
443.27414	0.4
443.35077	1.6
444.21964	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	443.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
52.03176	0.2
52.86631	0.3
53.03933	0.4
53.88792	0.3
54.78524	0.3
55.01874	0.3
55.05508	3.0
57.03431	1.0
57.07079	0.6
60.35211	0.3
65.03947	0.3
67.05502	11.0
68.05838	0.3
69.03422	1.7
69.07067	3.5
71.05010	1.4
71.59859	0.3
73.02911	0.6
74.37614	0.3
79.05482	2.7
81.03405	0.6
81.07056	13.9
83.04979	1.3
83.08624	2.2
84.08151	0.3
84.79347	0.3
85.02914	1.9
85.06538	1.2
86.06070	0.5
86.09715	0.3
91.05474	2.2
93.07045	5.0
95.04977	1.8
95.08603	11.9
97.02885	1.0
97.06523	1.1
97.10164	1.0
99.04451	0.5
99.08085	0.3
105.01841	0.4
105.07031	4.2
107.08575	3.7
108.05738	0.5
109.02840	0.4
109.06513	1.2
109.10152	20.3
111.04458	1.3
111.08090	0.6
111.11688	0.7
115.03971	0.3
117.06990	0.8
119.08571	3.2
121.06495	1.2
121.10148	3.0
123.08069	9.8
123.11707	7.7
124.07581	0.4
124.08389	0.4
125.05975	0.6
125.09619	0.8
127.03897	1.0
127.11177	2.0
129.06953	0.4
131.08560	1.4
133.06496	0.4
133.10068	1.6
135.08046	5.3
135.11694	1.7
137.05956	0.7
137.09595	1.1
137.13225	1.5
139.07584	0.3
139.11186	0.9
141.09311	0.3
141.12712	0.5
143.08582	0.6
145.04971	0.6
145.06461	0.4
145.10126	2.3
147.08037	0.4
147.11705	2.4
149.09642	1.6
149.13258	1.4
151.07538	100.0
152.07919	1.6
153.12720	1.1
155.10635	1.1
157.10135	0.8
158.07236	0.4
159.08084	0.9
159.11687	1.6
161.05968	0.6
161.09613	1.2
161.13214	0.9
162.06761	0.4
163.07561	1.5
163.11165	2.0
163.14806	0.5
165.09120	4.2
165.12750	1.0
166.09372	0.7
167.07065	0.6
169.10013	0.3
169.12189	0.6
171.11674	0.9
173.09613	2.2
173.11725	1.0
173.13280	1.0
175.07539	1.5
175.11142	1.6
175.14809	0.5
176.08296	1.9
177.09102	6.6
177.12665	0.7
177.16261	0.3
179.10756	0.5
181.12090	0.3
187.11191	0.8
187.14838	0.5
188.08308	0.6
189.09093	3.8
189.12729	0.6
190.09763	0.5
191.10661	36.9
192.10936	0.6
193.08600	1.6
195.13753	0.4
199.11115	0.9
201.09102	0.3
201.12682	0.4
201.16359	0.4
203.10677	3.0
205.12227	5.9
205.15744	0.3
207.10155	0.5
207.13760	0.4
209.11690	0.3
215.10652	1.1
217.12253	0.9
217.19475	0.4
219.13783	0.5
221.11690	0.3
229.12212	0.9
231.13751	1.8
233.15366	0.4
245.15239	0.4
257.15253	0.6
259.16888	0.7
261.04770	0.3
261.22211	0.5
271.16837	0.8
273.18546	0.5
275.23563	0.8
281.17450	0.5
285.18484	2.0
287.16278	0.6
287.20001	0.4
287.23529	0.4
289.18033	0.4
293.24857	0.7
297.18314	0.3
303.19540	3.5
305.24631	1.0
346.15308	0.3
347.99750	0.3
407.29276	0.8
425.30661	4.8
443.18671	0.6
443.31796	7.6
444.20959	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06190	0.5
51.72769	0.4
55.01865	0.7
55.05514	3.1
56.30249	0.4
57.03439	1.1
57.07073	1.1
58.01466	0.4
59.30092	0.4
61.02940	0.5
65.03926	0.5
67.05167	0.6
67.05507	11.0
69.03434	2.5
69.07070	6.3
70.56531	1.5
71.04993	1.9
76.22330	0.4
79.05495	4.1
81.07057	21.3
83.04984	1.2
83.08635	2.4
85.02888	1.9
85.06538	2.3
91.05476	2.7
93.07050	6.0
95.04949	1.6
95.08611	13.6
97.02885	1.3
97.06519	1.7
97.10159	1.2
99.04451	0.5
99.08099	0.6
102.05515	0.6
105.07027	4.6
107.08586	5.6
108.05769	0.5
109.06497	1.2
109.10157	16.5
111.04435	1.5
111.08055	0.8
111.11713	0.6
117.06987	0.6
119.08601	2.8
121.06498	1.8
121.10156	5.5
123.08065	10.0
123.11710	13.5
125.09637	1.4
127.03935	0.7
127.11176	1.8
131.08571	1.3
133.10143	2.3
135.08061	5.9
135.11720	2.9
137.05917	0.5
137.09685	0.4
137.13245	1.4
139.07521	0.5
139.11185	1.5
141.12741	0.8
143.08597	0.7
145.04990	0.7
145.10103	3.2
147.11682	2.0
149.09602	1.8
149.13258	0.7
151.07545	100.0
152.07869	1.2
153.12685	0.7
155.08498	0.5
155.10669	0.7
157.10112	1.0
159.08041	1.3
159.11681	2.0
161.09607	0.8
161.13258	1.4
163.07561	2.1
163.11182	2.7
165.09100	4.4
165.12752	1.3
167.07094	0.9
169.12202	0.5
171.11684	0.7
173.09639	2.7
173.11839	0.8
173.13240	0.7
175.07533	1.2
175.11212	1.3
175.14822	0.4
176.08347	2.3
177.09122	9.8
177.12766	0.5
179.14246	0.4
183.11707	0.5
187.11162	1.5
187.13248	0.5
187.14813	0.7
188.08418	0.5
189.09128	4.4
189.12721	1.3
190.09883	0.9
191.10672	43.5
193.08609	1.3
199.11258	0.7
201.09102	0.8
203.10634	3.0
205.12244	9.8
207.17555	0.5
209.11676	0.5
211.11182	0.6
215.10674	2.5
217.12291	1.3
217.19522	1.0
219.13817	0.8
229.12216	1.0
231.13760	3.0
233.15160	0.4
235.20578	0.7
243.13765	0.5
245.15457	0.6
257.15427	0.7
259.17062	1.0
261.22260	0.5
271.16977	1.3
272.95123	0.4
273.18396	0.6
275.23734	0.6
281.17560	0.6
282.06863	0.4
285.18494	1.2
287.16580	0.7
289.18045	1.1
293.24811	0.8
301.17874	0.5
303.19626	2.8
305.24966	0.8
404.11389	0.4
407.29758	1.0
425.30536	8.4
443.18433	0.7
443.31790	10.2
461.91037	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.1
55.01869	2.0
55.05501	4.0
56.05027	2.7
56.96552	1.5
57.03423	5.5
60.04525	1.4
61.02919	3.9
65.65953	0.8
67.05507	3.2
69.03442	9.6
69.07062	2.3
70.06593	9.4
71.04993	7.6
71.59366	1.6
72.04508	4.2
72.08154	2.2
73.02924	2.1
74.06077	1.7
75.49927	1.0
79.05473	1.7
81.03415	4.8
81.07057	4.3
82.06600	4.5
83.04984	5.9
84.04507	13.9
84.08146	36.8
85.02905	28.5
85.06547	2.5
86.03227	1.9
86.09710	26.3
87.04459	1.7
91.05468	3.9
92.67448	1.0
93.07037	5.0
95.04974	4.5
95.08615	1.9
96.04483	1.8
97.02901	7.6
97.06530	1.1
98.06052	3.2
98.09709	0.9
98.97581	1.6
99.04482	2.3
99.08096	15.9
99.37837	0.9
100.07771	1.1
100.08420	8.1
101.06003	2.2
102.05547	3.8
105.07031	4.0
107.08622	4.8
109.02881	3.1
109.06543	1.2
109.10168	4.0
110.06048	4.8
110.09704	1.8
111.04442	1.5
112.07621	1.1
116.07116	1.9
116.98673	1.3
117.09128	3.3
119.08595	6.2
121.06482	2.0
121.10136	6.8
123.08032	1.0
124.07573	1.2
126.05523	10.2
127.03101	0.9
127.03874	5.4
128.07074	13.5
128.10715	2.7
129.05473	1.8
129.10239	9.4
130.08650	5.8
131.08580	2.2
131.36601	1.0
133.10153	3.9
135.08098	2.1
135.11696	2.2
136.07559	1.1
137.05977	1.4
137.09645	3.7
138.05496	8.3
138.09143	2.6
139.08669	0.9
140.07121	1.0
140.10696	8.9
142.07768	1.1
143.08559	1.9
145.05002	3.4
145.10120	2.4
147.04398	1.4
147.11353	4.1
149.09613	1.9
156.06554	43.7
157.10199	1.4
158.10449	1.7
158.11771	35.8
159.08047	12.5
159.11708	2.6
161.09641	2.5
161.13255	1.1
163.11197	8.8
166.08672	1.2
171.11644	1.4
175.11240	2.3
175.14746	1.0
177.00847	1.1
177.09149	3.5
179.03462	2.4
181.12234	2.9
181.13571	1.4
183.07707	2.7
183.11531	1.7
185.09509	1.0
185.13318	1.8
187.11205	2.0
189.12823	1.5
193.13416	7.8
194.10963	0.9
197.12901	3.8
197.16481	1.2
199.14935	1.3
201.12511	3.3
203.14288	5.7
209.13124	1.8
215.14505	1.0
217.15897	1.3
219.13792	1.6
221.12975	4.5
221.15268	1.0
223.14394	2.2
227.14302	3.1
237.02930	1.9
238.98500	1.2
239.13969	2.2
241.15466	1.8
244.08130	1.0
245.15387	12.5
251.13982	3.2
259.12936	2.8
263.16422	19.6
269.14984	31.7
281.06604	2.4
281.17511	3.4
383.02634	1.2
425.24051	3.2
443.17987	10.0
443.25027	100.0
444.25174	2.1
464.90985	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	443.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.4
55.01871	3.7
55.05515	32.8
56.96564	2.6
57.03436	8.2
57.07069	3.6
59.04996	8.4
61.02928	8.3
65.03964	1.3
66.05638	1.1
67.05526	5.2
69.03070	1.8
69.03435	26.9
69.03811	1.8
69.07075	3.1
70.06596	7.5
71.04992	8.6
71.23689	2.1
71.24055	1.1
72.05335	1.1
72.08150	3.0
73.02921	6.2
79.05500	7.9
81.03419	10.9
81.07054	14.5
83.04987	47.8
83.08597	2.4
84.04537	1.4
84.08135	3.0
85.02910	73.5
85.06535	5.5
86.09692	2.9
87.04458	3.8
87.05599	1.4
91.03956	4.4
91.05484	14.1
93.07050	12.0
95.04971	18.7
95.08595	6.9
97.02904	20.8
97.06518	4.4
98.97560	1.6
99.04453	5.0
101.06025	26.5
103.03963	1.8
103.05486	1.1
105.07037	16.4
107.04942	2.9
107.08600	15.9
108.08883	1.1
109.02898	7.7
109.06524	10.6
109.10126	6.3
111.04453	2.9
111.08114	2.1
113.09692	1.3
115.05460	2.0
116.07104	1.3
116.98641	1.2
117.07050	4.9
117.09134	1.9
119.04967	2.8
119.08583	24.2
119.59852	1.1
121.06538	5.0
121.10147	18.1
123.04439	2.6
123.08076	6.7
125.06024	6.7
125.09651	1.2
127.03923	11.4
128.06238	2.2
129.07021	3.1
129.10263	1.3
130.07816	2.6
131.08592	5.9
132.95889	1.1
133.06499	3.0
133.07581	1.1
133.10132	15.3
134.99651	1.6
135.08080	11.9
135.11694	7.0
136.07567	1.9
137.05991	3.2
137.09631	5.7
142.07751	2.3
143.08568	7.7
145.04974	10.1
145.06493	3.8
145.10130	17.2
146.07275	1.3
147.08061	23.5
147.11662	1.6
149.09610	3.7
151.07532	2.2
153.09148	1.5
156.09380	1.9
157.10147	5.9
159.08070	6.9
159.11713	5.3
161.09644	14.5
161.13257	3.2
162.10376	1.4
163.07536	2.4
163.11192	100.0
164.07104	1.7
164.11542	1.5
165.09106	3.8
169.10147	2.3
170.10933	1.7
171.08113	1.5
171.11687	3.3
173.13297	2.9
175.11185	3.5
175.14854	1.4
177.09128	12.4
177.12802	1.3
179.08440	1.6
179.10690	7.2
181.08601	1.8
181.12231	43.7
183.10236	1.5
185.13274	5.3
187.11269	5.0
189.09099	6.3
190.27878	1.1
195.10164	1.4
197.13000	1.2
199.14873	1.4
201.12657	2.1
203.10669	1.1
203.14337	8.3
205.12263	4.8
207.10182	21.2
215.14149	1.4
217.12013	1.3
217.15892	2.4
223.13319	3.7
227.14279	5.0
233.15411	4.6
235.16847	1.2
237.02626	1.4
245.15378	19.8
263.16446	60.4
264.16885	1.8
281.10571	2.0
281.17487	36.1
282.17871	1.4
299.11716	1.5
307.15445	2.4
311.05325	1.1
324.06555	1.2
325.16360	2.0
407.20401	1.7
425.13596	1.2
425.21799	6.8
443.16592	17.1
443.22754	42.3
444.23514	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	443.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.7
55.01879	3.6
55.05513	9.4
57.03448	8.2
59.05001	2.2
61.02917	8.0
67.05505	8.2
69.03430	33.4
69.07061	2.6
70.00607	8.3
70.06587	9.4
71.05006	9.6
72.08160	5.7
73.02916	6.3
79.05489	7.9
81.03419	10.9
81.07056	20.1
83.04985	12.2
85.02905	61.3
85.06547	6.8
86.03210	1.6
86.09692	9.3
87.04478	6.7
91.03960	3.9
91.05486	18.2
93.07043	16.3
95.04970	16.6
95.08609	9.7
97.02901	24.6
97.06517	3.5
98.97611	2.2
99.04449	4.4
99.08073	2.1
101.06035	3.0
105.07035	14.3
107.04923	3.9
107.08606	13.2
109.02898	7.0
109.06551	7.9
109.10159	9.8
111.04465	3.0
111.08092	2.6
116.07106	3.1
117.07018	3.6
119.08585	12.8
121.06515	7.4
121.10181	10.2
123.08087	3.4
123.11734	2.7
125.06000	3.9
125.09689	1.8
127.03933	12.3
128.06210	2.2
131.08601	8.0
133.10130	9.2
135.08064	8.8
135.11656	3.5
137.06084	1.7
137.09572	8.1
142.07712	1.9
143.08585	6.2
145.04999	7.1
145.06473	1.8
145.10143	9.5
147.08063	5.0
147.11646	4.1
147.24327	1.6
149.09653	6.8
151.11156	21.0
153.09160	1.7
157.10143	4.9
159.08018	8.4
159.11728	7.1
161.09644	4.6
161.13258	4.3
163.07379	2.0
163.11209	12.9
169.10114	2.3
173.09674	2.3
173.13300	3.9
175.11211	3.8
175.14755	2.5
177.09149	6.5
179.10782	2.1
181.12231	9.9
185.09622	2.0
185.13271	6.0
187.11198	3.7
187.14864	3.7
189.12772	2.3
191.10677	1.9
191.14270	2.7
195.02950	1.9
195.10167	3.2
197.13345	2.2
201.12695	3.0
203.14349	7.1
205.12236	7.6
215.14149	7.9
217.15857	4.5
221.15305	2.1
227.04877	2.0
227.14380	4.9
228.13300	1.7
233.15364	35.4
235.16975	5.1
237.02827	1.7
245.15364	19.6
246.80856	1.6
263.16428	44.9
281.17493	100.0
282.17789	2.5
283.48947	1.8
325.03809	4.6
443.17010	12.4
443.22879	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	443.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01894	1.0
53.36928	0.9
54.03467	2.6
55.04256	2.6
56.96562	1.0
57.03426	1.5
69.03417	1.3
70.03822	5.4
70.06602	1.5
78.47304	0.9
81.03423	1.6
81.04548	17.9
81.07047	1.1
82.05329	7.5
85.02902	4.3
86.06078	0.9
87.10303	1.0
91.29713	0.9
97.02916	1.1
117.09142	1.1
121.48450	1.0
122.07156	100.0
123.07941	87.8
126.03764	1.1
127.03868	0.9
137.05971	1.6
165.07718	4.0
177.06607	3.0
281.10678	55.6
383.11734	1.4
395.90384	1.1
443.15924	91.8
444.16000	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	443.189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01865	0.6
55.05510	1.2
56.96546	0.6
67.05502	2.7
68.89063	0.4
69.03427	1.3
69.07073	2.0
69.33827	3.0
69.34231	0.9
69.73056	0.4
71.04997	0.9
78.54505	0.3
79.05489	1.7
79.05913	0.3
79.14532	0.4
81.03423	1.1
81.07059	3.3
83.04994	1.0
83.08611	0.6
83.89120	0.4
85.02905	2.3
85.06537	1.9
87.00832	0.7
91.05473	1.3
93.07049	2.9
95.04962	0.9
95.08605	2.8
97.02910	0.9
97.06539	1.0
99.04449	0.5
105.01868	0.6
105.07027	2.4
107.08595	2.4
109.02863	1.0
109.06533	0.6
109.10159	2.5
113.05994	0.4
113.09660	0.7
119.08565	1.9
121.10155	2.3
123.08069	1.2
123.11700	1.4
125.09683	0.6
126.15088	0.4
127.03928	1.7
129.05420	0.4
131.08574	1.1
133.10126	1.4
134.26936	0.4
135.08096	0.5
135.11710	1.4
137.09641	0.5
142.07837	0.5
143.08517	0.7
144.59590	0.4
145.04974	0.7
145.10127	0.8
147.08015	0.5
147.11682	0.9
149.09605	0.7
149.13309	0.7
151.07542	4.5
155.08435	0.4
157.10149	0.5
159.02968	0.5
159.11790	0.6
161.09593	0.4
161.13278	0.5
163.11150	0.5
165.09117	1.9
173.09622	0.7
173.13246	0.6
175.11281	0.4
177.09126	0.6
177.16380	0.6
185.04190	0.6
189.09157	0.6
189.16507	0.6
191.10663	1.6
195.13580	2.0
216.86143	0.4
221.15532	0.4
223.13022	1.6
229.15994	0.4
253.16129	0.4
271.13791	1.4
271.63852	0.4
275.07745	0.5
280.14224	1.9
309.07053	0.5
323.02496	0.5
357.18796	9.7
360.71478	0.5
381.18884	0.5
399.19916	24.4
400.20013	0.9
422.12067	0.4
443.18878	100.0
444.19183	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
54.49090	0.6
55.05503	0.8
56.96551	0.8
57.03437	12.4
59.83562	0.6
61.02917	1.4
61.45671	0.6
66.16491	0.6
69.03426	2.3
69.07082	1.0
70.06588	4.6
71.04994	23.7
71.59271	1.0
72.08157	2.8
73.02913	1.8
74.06056	0.6
75.04478	1.3
79.05513	1.1
81.03417	1.1
81.07042	4.6
83.04982	2.9
84.04510	1.3
84.08141	3.1
85.02907	27.7
86.09713	2.6
91.05461	1.3
93.07058	1.1
95.04973	0.9
97.02884	2.4
97.06463	0.7
98.93356	0.7
99.08095	100.0
100.02193	0.7
100.08439	0.9
105.07033	1.1
111.04434	1.5
113.09606	0.9
117.09133	26.7
119.08595	1.1
121.10123	0.8
122.06092	1.2
127.03907	2.7
128.07127	1.1
129.05490	9.2
133.10135	0.8
135.11697	0.6
136.07565	3.9
145.04976	0.9
147.06503	4.7
148.04797	0.6
151.02405	0.7
156.06583	1.7
158.11826	2.1
159.08098	1.9
163.11188	1.6
165.81598	0.6
166.05014	0.8
175.11116	0.7
179.03387	1.3
219.01665	0.9
237.02808	0.9
245.15448	1.9
257.09726	1.2
263.16608	1.7
269.15097	1.6
382.02902	0.7
442.16113	1.3
443.17081	3.9
443.24783	4.5
457.65518	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.1925
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38934	0.8
53.03947	5.4
55.01878	8.2
55.05497	1.7
57.03443	11.3
57.07051	0.7
57.77585	0.7
59.04990	1.8
61.02933	6.3
67.05492	1.9
68.99778	2.6
69.03432	31.2
69.03810	1.5
69.07079	1.0
70.06593	3.7
71.04996	11.5
71.08636	14.1
71.25690	1.1
71.26022	1.3
72.08143	3.1
73.02932	6.5
73.06561	0.7
79.05467	2.2
81.03421	29.6
81.07050	9.7
83.01333	0.8
83.04948	1.5
83.08623	0.9
84.08141	1.3
85.02908	86.1
85.06544	3.6
86.09692	2.2
87.00834	35.8
91.03947	1.4
91.05466	1.0
93.07039	1.0
95.04972	1.0
97.02895	30.3
98.06035	1.0
99.04462	15.3
99.08098	18.8
103.03970	1.1
105.01869	44.3
105.07018	1.2
109.02886	27.8
109.06504	8.3
109.10120	1.1
115.07592	1.8
116.02272	0.8
117.01842	2.3
117.09135	100.0
119.08587	1.5
120.08089	1.7
122.06046	2.4
127.03922	73.7
127.07533	3.6
128.04326	0.9
129.01862	3.8
131.08551	0.7
141.09103	26.5
145.04961	20.7
145.08601	7.7
147.02873	2.2
151.69841	0.8
159.02902	12.7
159.10185	11.5
161.05948	0.8
177.11235	41.6
187.09654	10.0
189.03943	2.8
206.70604	0.8
213.03931	3.1
219.01776	0.9
225.11278	1.2
231.05016	21.1
238.03772	0.9
243.12262	3.3
249.06073	3.3
254.95764	0.9
267.12292	7.2
285.13190	1.3
311.11993	1.4
322.09372	1.1
345.15451	5.2
347.13318	1.4
371.13480	4.7
389.14432	8.4
406.61441	0.8
407.15659	4.9
442.19305	2.6
442.26459	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	441.3363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	0.3
55.05505	1.7
57.07061	0.2
65.03921	0.4
67.05174	0.4
67.05502	4.8
67.51543	0.3
68.05846	0.3
69.03434	0.5
69.07063	2.5
69.42313	2.3
69.42738	0.4
71.04954	0.4
75.08849	0.2
79.05483	1.8
81.03396	0.4
81.07057	5.3
83.04974	0.8
83.08620	1.2
85.02859	0.3
91.05463	1.8
93.07046	3.0
95.04966	0.9
95.08607	2.2
97.06509	0.6
97.10165	0.8
105.07027	1.6
107.04930	0.4
107.08607	2.5
109.06500	0.8
109.09452	0.5
109.10157	6.8
110.10522	0.3
112.40578	0.3
115.05463	0.4
117.06963	0.3
119.08584	2.5
121.06456	0.3
121.10136	1.2
122.07279	1.2
123.08047	0.6
123.11731	2.3
125.05991	0.3
125.09611	0.7
127.11147	0.4
129.07002	0.5
131.04953	0.3
131.08540	0.8
133.10123	1.6
135.08034	0.9
135.11676	0.6
136.08833	0.3
137.09612	10.1
137.13129	0.3
139.11124	0.5
143.08525	0.4
145.06444	1.7
147.11656	0.6
149.09621	3.5
151.11185	4.3
153.09105	0.8
157.06538	0.4
157.10178	0.3
159.08034	0.5
159.11717	0.6
161.09639	0.3
162.06828	0.7
163.11111	0.3
163.14709	0.3
165.09109	100.0
166.09428	1.0
171.08055	0.6
171.11748	0.3
173.09705	0.3
175.14624	0.3
177.09103	9.9
177.16241	0.3
178.09593	0.3
179.10654	0.6
181.15913	0.4
187.11195	0.8
189.09073	0.9
190.09882	0.5
191.10698	1.0
193.12135	0.4
195.11705	0.3
203.10681	1.5
203.17926	0.4
205.12233	11.7
207.10201	0.7
207.17479	0.3
220.64751	0.3
227.14220	0.4
229.12189	0.5
237.12682	0.4
254.83585	0.3
273.14920	0.6
285.18411	1.6
289.25220	0.6
303.19525	7.7
303.22858	0.5
337.13855	0.4
349.21585	0.6
357.53510	0.2
367.22656	1.5
394.22513	0.3
405.24100	0.4
423.25177	0.7
423.32242	0.9
441.26642	5.0
441.33588	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	0.9
55.01878	3.8
55.05511	8.5
57.03434	2.6
65.03928	1.1
67.05505	12.5
69.03416	1.7
69.07078	6.4
70.95422	1.9
71.04985	1.1
71.08618	0.9
73.64931	0.9
76.45419	0.7
79.05490	12.0
81.03428	1.1
81.07059	14.4
81.17052	0.8
83.04996	1.5
83.08624	3.6
85.02934	0.7
85.06521	0.9
91.05484	7.0
93.07034	6.4
95.04967	1.9
95.08042	1.3
95.08607	12.0
97.06540	2.1
97.10175	2.9
99.08127	1.3
105.07021	7.6
107.04955	1.7
107.08585	6.7
109.06503	2.0
109.10151	7.1
111.08080	1.7
111.11726	1.1
113.16602	0.7
115.05450	1.8
116.10735	2.5
117.07027	3.4
117.77989	0.7
119.08577	5.1
121.06499	8.5
121.10110	3.8
123.08042	2.1
123.11682	2.7
125.06108	0.7
125.09634	1.9
128.06213	2.7
129.07008	9.2
131.04939	7.0
131.08575	7.7
133.06500	3.3
133.10124	2.4
133.78197	0.8
135.08060	1.4
135.11713	0.9
137.06023	1.2
137.09628	4.8
137.13396	0.9
139.11160	0.8
140.24500	0.7
141.06978	2.9
143.08560	8.2
144.05711	2.0
145.06485	57.4
145.10176	2.3
146.06923	1.1
147.08073	5.0
147.11673	1.4
149.09641	1.7
151.07547	2.1
153.27443	0.8
155.08524	4.7
157.06522	7.7
157.10139	3.4
159.08075	5.9
159.11722	1.8
161.05972	6.4
161.09616	1.8
165.07027	1.7
165.09123	38.2
165.12807	1.0
167.07166	0.8
167.08583	2.6
169.06517	5.3
169.10228	3.7
170.07251	0.9
171.08063	11.3
171.11723	1.4
173.05991	1.1
173.09685	1.7
173.13260	1.0
175.07608	1.0
175.11176	1.5
177.09064	1.8
179.08553	1.1
181.06511	1.7
181.10106	2.5
182.07251	0.9
183.08064	4.0
183.11725	2.4
185.09590	5.4
185.13249	1.1
186.89569	0.7
191.10580	1.1
195.08052	4.8
195.11697	11.2
197.09651	3.8
197.13326	5.0
199.11272	2.0
201.12839	1.6
203.10870	1.0
205.10472	1.0
205.12227	4.8
205.15691	0.8
207.11653	1.2
209.09663	2.4
209.13301	2.9
211.11256	5.7
211.14833	1.1
213.12759	3.0
214.18028	4.7
219.11783	1.1
219.15411	0.8
221.13231	1.2
222.10475	0.9
223.11215	3.0
223.14693	1.2
224.12021	1.1
225.12741	2.7
227.14334	5.9
231.13994	1.3
235.11159	1.9
237.12784	8.0
239.14340	1.9
243.13821	1.9
249.12796	1.2
251.14392	1.2
255.13795	11.0
257.15305	1.8
273.14835	24.1
279.17307	1.0
281.15454	2.3
283.16882	2.8
287.16711	1.2
289.25168	1.0
297.18484	1.2
299.16550	2.6
307.16830	1.4
311.16370	3.9
313.18127	0.9
317.21286	0.9
321.22153	1.5
323.20453	1.1
325.18073	2.4
331.20432	1.7
339.23193	5.6
349.21674	19.7
350.22195	1.0
351.22974	0.9
367.22684	42.7
368.23047	1.8
377.24631	1.9
385.23776	8.8
387.23358	2.1
395.25552	1.5
405.24359	10.2
423.25397	3.4
423.33353	1.0
441.26355	100.0
442.26443	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10647	0.6
55.01871	0.7
55.05515	1.9
56.96564	0.9
57.07050	0.5
67.05505	3.6
69.03429	1.8
69.07065	2.3
71.04996	1.3
71.60752	0.7
79.05508	2.8
81.03427	0.8
81.07066	6.0
83.04982	1.6
83.08611	1.0
84.08122	0.6
85.02908	3.1
85.06542	1.3
86.09705	1.3
91.05496	6.6
93.07052	4.8
95.04977	2.8
95.08607	3.9
97.02893	2.0
97.06512	1.1
99.04455	0.9
105.07045	4.4
107.08598	4.2
109.02921	0.8
109.06511	1.2
109.10161	3.8
115.05436	0.6
117.07027	0.6
119.08567	4.4
120.08076	0.8
121.06544	1.1
121.10168	3.7
122.01387	0.6
123.08089	0.6
123.11723	1.3
125.09624	0.7
127.03914	1.5
129.07048	0.6
131.08565	1.4
133.06561	0.6
133.10101	4.3
135.08063	1.6
135.11670	1.7
136.29515	0.5
137.05951	0.6
137.09613	1.6
143.08557	1.1
145.10141	1.7
147.11705	2.0
149.09595	1.0
149.13289	0.8
151.07466	3.2
151.11188	0.6
156.09293	0.6
157.10117	1.9
159.11687	1.7
161.13193	0.8
163.11223	1.0
165.09183	1.8
165.25713	0.6
167.08566	0.8
169.10103	0.7
171.11737	1.0
173.13226	1.0
175.07774	0.6
175.11188	0.8
175.14835	3.4
177.09117	0.8
183.11749	0.8
185.09697	0.6
185.13251	1.4
189.09068	0.6
191.10593	1.6
193.15959	0.6
197.13280	0.6
199.11284	0.5
201.03693	5.1
203.05269	6.7
203.06905	0.8
203.10532	0.7
207.13725	0.6
209.13455	0.7
261.15393	0.5
261.18152	2.9
263.19864	7.0
289.05289	2.0
297.09900	0.8
316.13748	0.9
355.17505	1.3
397.18240	3.8
423.25247	1.0
441.17465	16.0
441.24622	100.0
442.17618	1.2
442.25034	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	441.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.5
55.01855	2.4
55.05504	4.7
55.58151	0.6
57.03426	2.0
57.07059	2.2
61.02913	2.0
67.05508	4.6
68.99770	0.7
69.03430	10.9
69.07076	9.1
70.06583	0.6
71.35336	1.4
73.02913	1.0
75.53204	0.6
79.05489	5.2
80.19803	0.7
81.03421	4.8
81.07063	6.3
83.04956	0.8
83.08601	4.1
83.46897	0.6
85.02912	18.2
85.06544	3.4
87.00832	8.3
87.04461	0.9
91.05479	5.2
93.07042	9.2
95.04970	2.3
95.08611	16.2
97.02894	12.2
97.06535	1.1
97.10188	0.8
99.04447	2.2
101.02372	1.8
105.01880	7.0
105.07038	11.9
107.08595	19.7
109.02891	5.1
109.06517	2.3
109.10159	10.7
111.08078	3.0
113.02374	0.7
115.03918	1.7
117.07021	0.9
119.08583	36.5
121.10140	27.5
122.27666	0.7
123.08066	2.3
123.11723	2.2
125.02351	4.7
125.48266	0.7
127.03918	11.5
129.01831	1.7
129.07014	0.8
131.08565	3.6
133.10129	32.9
134.10892	1.0
134.25853	0.7
135.08066	1.8
135.11707	7.3
137.05937	0.8
137.09628	1.4
143.03372	2.4
143.08583	1.2
145.04955	4.3
145.10118	6.7
147.02895	1.3
147.11693	10.1
149.09625	1.7
149.13266	3.6
151.07576	1.1
157.10124	1.7
158.10881	0.8
159.02953	3.5
159.11688	2.8
160.12436	1.3
161.09657	1.0
161.13260	7.2
169.10214	0.9
171.11636	1.7
173.13261	3.3
175.14832	100.0
176.15205	1.1
177.16396	28.3
185.13403	0.8
187.14833	8.8
189.03996	1.2
189.16368	1.7
193.15887	10.4
205.15889	21.5
211.14772	1.1
213.03856	0.8
217.15871	0.9
219.17474	0.9
229.03436	1.9
229.15854	1.3
231.04953	4.8
241.15999	0.9
247.04530	0.7
247.17232	1.2
249.06122	1.8
255.17345	0.9
265.15823	0.9
283.16956	2.2
289.09637	0.8
301.17877	2.3
330.12143	0.6
387.18121	0.9
405.19302	3.7
423.20337	2.4
441.21262	11.8
441.26053	0.5
441.30667	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	441.0915
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	16.7
61.69546	1.9
67.45488	1.8
70.85744	2.0
71.33060	3.8
80.20270	1.9
82.72329	1.9
84.96026	7.7
85.02923	5.1
86.22948	2.2
97.02867	2.5
98.91955	8.5
98.96941	3.8
98.97581	69.9
109.18328	2.2
110.97565	10.4
112.89609	4.7
114.89378	2.3
116.98619	55.7
128.98615	29.6
134.99663	30.1
140.00180	3.2
140.98567	4.1
143.00189	8.9
144.06540	2.8
144.98120	4.3
146.99657	32.3
149.01231	2.5
152.98683	2.1
153.00705	2.9
158.99651	27.8
161.01225	21.2
162.99123	2.6
165.00737	6.0
170.99634	22.5
177.00719	52.1
179.02258	2.3
182.99699	7.1
189.00714	39.6
195.01791	7.3
200.02417	3.7
201.00711	62.8
207.01752	6.0
212.02449	3.3
213.00714	5.4
219.01773	60.8
224.02335	2.3
231.01794	6.0
237.02847	31.5
242.03455	2.6
243.01756	17.1
255.03954	2.5
260.04715	2.4
261.02835	100.0
273.02960	7.3
279.03888	67.4
284.04398	2.9
291.03931	18.8
297.04901	5.2
302.05411	8.3
309.04901	2.8
321.04959	58.5
333.04953	6.9
351.06293	9.9
365.10623	5.7
381.07312	6.0
399.08051	7.1
441.08981	44.9
441.14899	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	440.1552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13526	0.2
53.03938	0.7
54.72404	0.3
55.01868	0.7
55.05498	0.5
55.84971	0.2
56.05042	0.4
57.03431	0.5
59.04980	0.3
60.04523	0.5
61.02908	0.9
67.05497	0.8
69.03429	3.0
69.07059	0.4
70.06580	1.1
71.04979	0.6
71.33997	0.5
72.08158	0.5
73.02907	0.8
79.05476	1.0
81.03403	0.9
81.07040	0.6
83.04964	0.4
84.08138	0.4
85.02907	6.9
86.09695	1.0
87.04459	0.6
91.03933	0.4
91.05441	0.5
93.07069	0.6
94.06548	1.1
95.04974	0.7
97.02863	2.0
98.97546	0.5
99.04456	0.6
99.33775	0.3
105.07023	0.9
107.08559	0.7
109.02892	0.7
110.06010	1.3
115.05432	0.3
117.79288	0.2
119.08593	0.7
121.10115	0.9
122.06021	2.4
123.04427	3.7
127.03928	1.5
128.06230	0.5
130.06590	0.3
131.08517	0.4
133.10078	0.5
135.04378	0.6
136.07550	0.3
138.05467	0.4
140.07053	0.4
141.06960	0.4
143.04927	0.4
143.08539	2.2
145.04962	0.7
146.06001	0.6
147.04411	0.8
153.09091	0.4
158.05943	0.4
158.09604	0.4
159.07988	0.4
160.05252	0.5
160.07559	0.6
161.05931	1.6
161.09589	1.2
162.05431	0.4
163.11252	0.3
168.08070	1.0
169.06464	0.4
171.08051	1.5
173.06065	0.3
174.05449	0.3
175.07599	0.7
176.07074	3.1
177.00853	0.4
177.07869	2.3
178.05003	0.4
178.08658	0.5
179.10609	0.4
181.12218	0.7
185.08354	0.4
186.09116	1.9
187.07549	1.1
188.06934	0.6
189.07660	0.4
189.09152	1.5
190.04985	0.7
190.08559	0.6
196.07529	1.5
197.05995	0.4
197.11806	0.4
198.05557	0.6
199.06206	0.9
199.07758	0.4
199.13264	0.7
200.06960	0.6
202.08649	0.3
204.10297	0.5
207.10248	0.6
212.07039	0.4
213.07951	0.4
214.04955	0.3
214.08597	4.2
215.07036	0.6
216.06610	1.3
217.07121	0.6
224.07047	1.4
225.11288	2.0
227.05843	1.0
230.08160	1.8
231.08875	3.0
232.09679	2.7
237.02753	0.4
242.08159	3.2
243.12317	1.8
255.11258	0.9
256.09644	0.4
259.08356	0.6
259.10809	0.4
260.09180	100.0
261.09506	2.5
289.33499	0.3
301.11874	0.8
302.10281	1.3
311.60513	0.4
387.18478	0.3
422.14395	13.7
440.15631	0.6
441.16794	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78197	1.4
55.01858	2.0
55.05499	2.4
56.96550	1.6
57.03428	3.0
58.99580	4.4
67.05511	2.5
69.03420	3.6
69.07073	7.5
69.64739	3.9
69.65160	5.6
70.06603	7.1
71.00260	1.3
71.04987	5.3
72.08160	1.7
73.02885	1.4
76.02218	8.0
76.07671	1.2
80.54817	1.3
81.07047	4.7
83.04981	2.8
85.02917	12.8
86.09720	3.8
86.99036	2.8
88.03999	1.3
91.41608	1.4
93.07065	3.5
95.08619	2.1
97.02899	2.5
97.06541	2.4
98.97592	3.3
99.04424	1.8
99.08069	6.7
100.02203	9.9
101.02348	3.4
105.00127	3.1
105.07027	2.5
107.08607	2.7
109.02908	1.7
109.06501	1.8
109.10139	3.1
111.08069	1.6
112.43985	1.3
113.05972	2.3
116.98614	2.1
119.08594	2.3
121.10157	8.0
123.11742	1.7
124.07619	1.7
125.06019	5.7
127.03878	2.6
127.07542	4.6
129.05464	2.1
135.11722	2.8
136.07570	3.1
137.09737	1.8
145.08624	2.6
146.02719	13.3
150.03860	1.5
152.01691	1.5
162.05452	1.6
163.11209	3.6
166.03250	1.3
172.07562	3.3
175.08679	3.9
181.12277	4.9
186.09134	2.9
196.07629	2.9
198.09137	4.1
199.08759	1.7
199.13297	23.4
209.15251	1.6
213.10310	8.3
214.08569	3.8
215.08124	1.7
215.11809	3.2
217.09648	3.2
218.08105	2.4
225.14763	1.7
226.07089	2.1
227.08237	1.8
227.11826	2.9
235.10767	5.8
240.08939	3.2
241.09703	28.3
242.08167	4.5
243.11351	15.5
243.16006	3.6
254.06367	1.8
255.11256	6.4
258.12460	9.1
259.10828	25.4
260.09207	3.9
273.12259	1.7
278.10269	1.8
282.09885	1.6
283.10843	9.4
284.09195	2.4
284.14059	1.7
285.12299	11.2
286.09430	2.1
299.08423	2.6
300.10925	1.5
301.11887	28.0
302.10367	4.6
303.13373	4.3
317.10162	2.6
317.13712	18.1
318.12735	4.0
319.12866	6.3
362.11627	10.5
363.10141	3.8
378.14899	2.0
404.12766	16.6
405.11157	7.4
412.42728	1.6
422.13837	100.0
423.12131	19.2
440.19077	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3573
Annotation	Calocedimer A
Peak:m/z	Relative Intensity
50.99827	8.8
54.61125	9.0
55.05501	23.2
57.07077	16.7
67.05501	26.4
69.07072	59.5
69.95574	56.5
75.36686	8.2
79.05502	12.0
80.63062	9.2
81.07057	34.8
83.08617	40.0
89.06023	12.8
91.05487	13.8
93.07040	23.3
93.44806	9.4
95.08604	43.5
104.01834	10.0
105.07056	23.3
107.08601	26.6
109.10162	75.8
117.06994	13.5
119.08586	31.9
119.12024	9.7
121.10116	31.4
123.11716	27.8
131.08562	12.8
133.10139	24.5
133.38860	9.4
135.11639	18.7
137.09618	14.7
137.13315	14.8
145.10136	22.0
147.11716	20.3
149.13254	16.9
157.10147	19.8
159.11708	19.9
169.10077	10.4
171.11729	12.3
173.13255	19.5
175.60399	9.1
177.16371	11.1
183.11751	16.8
185.13268	20.4
199.14894	19.9
211.14905	12.6
213.16351	14.2
223.14822	10.6
227.17989	11.0
237.78825	9.1
241.19463	12.5
260.31525	10.0
273.18588	11.4
283.20563	35.3
287.20270	11.3
301.21579	70.2
311.27145	13.9
365.28812	9.1
389.24048	11.6
421.34637	42.0
436.22357	11.6
439.35745	100.0
461.79651	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	439.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37171	2.3
55.05511	16.5
57.03440	6.0
59.04998	6.4
61.02919	2.9
65.03933	3.7
67.05508	100.0
69.03410	5.8
69.07069	7.1
71.04990	5.2
71.33366	3.3
79.05492	19.1
81.03422	31.0
81.07054	29.9
83.04987	7.6
83.08618	18.6
85.02901	18.1
85.06545	4.6
91.05481	25.7
93.07057	17.7
95.04970	14.0
95.08614	13.1
97.06530	5.6
97.10188	3.8
105.07041	16.1
107.04980	4.1
107.08609	9.7
109.06561	4.5
109.10161	67.1
111.04462	2.7
111.08086	8.4
113.05976	4.9
119.08620	12.5
121.10175	8.1
129.07018	5.9
131.07556	2.0
131.08578	7.7
133.10188	8.3
137.09589	5.4
145.10123	4.6
147.08112	2.6
147.11710	7.4
149.09656	3.2
155.10735	4.3
157.10144	6.9
165.12799	2.7
173.11746	17.9
175.11192	6.6
181.10005	2.2
192.33720	2.2
193.12210	30.3
193.13792	2.3
211.13290	40.1
229.14409	7.5
267.15820	5.4
421.25818	7.5
439.26935	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2692
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45122	0.8
53.03936	1.3
55.01866	2.3
55.05510	12.7
56.76270	0.8
56.96573	1.3
57.03434	7.3
59.05001	5.3
61.02917	2.0
62.15024	0.9
65.03934	3.0
67.05504	97.0
68.05821	0.8
69.03418	3.4
69.07057	5.4
69.17155	0.9
71.04996	5.7
71.11709	1.2
71.12035	1.9
78.77377	0.8
79.05489	13.0
81.03416	34.5
81.07056	26.8
83.04989	7.7
83.08144	1.3
83.08619	17.3
85.02905	17.4
85.06529	4.0
91.03959	1.3
91.04905	1.1
91.05478	20.1
93.07049	12.0
95.04971	17.4
95.08601	9.1
97.02889	3.6
97.06517	2.6
97.10161	2.1
99.04490	1.3
99.08069	1.1
102.51482	0.9
105.07031	12.3
107.04952	4.3
107.08590	6.2
109.06498	3.5
109.10156	68.4
110.10503	1.3
111.04443	2.2
111.08086	8.3
113.06003	2.2
115.05457	1.2
117.06985	1.8
119.08578	15.6
119.72484	0.8
121.06556	1.0
121.10150	6.6
123.08038	1.4
123.11709	1.2
125.09632	1.7
129.07018	5.5
131.08557	5.3
133.06516	1.6
133.10133	4.8
135.11710	1.8
137.09625	3.9
142.07730	1.7
145.10068	2.0
147.08069	2.0
147.11662	7.7
149.09618	4.0
155.10678	3.4
157.01219	1.0
157.10153	5.9
163.11127	1.6
165.09135	2.5
165.12729	1.6
166.93275	0.8
173.11740	21.8
175.11194	8.7
193.12248	33.2
194.12750	0.9
205.12364	1.0
211.13281	41.4
217.07462	1.0
229.14360	3.3
249.26801	0.9
255.09067	2.4
255.16110	1.2
267.09128	2.5
267.15875	5.1
273.10132	2.2
281.41913	0.9
285.10214	3.6
309.10873	4.0
315.11160	2.5
324.11465	2.2
330.53281	1.0
340.12842	1.0
357.61386	1.1
414.17218	3.2
414.67303	1.6
421.25858	3.3
439.26917	100.0
440.06775	0.9
440.27426	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	439.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95348	1.4
53.03935	1.9
55.01867	1.8
55.05510	17.1
57.03431	8.5
57.07068	2.3
59.05001	4.0
65.03934	3.3
66.74805	1.2
67.05504	100.0
68.50485	1.5
69.03424	7.1
69.07061	6.8
69.47166	11.0
69.47596	3.0
71.04987	6.2
71.46209	1.5
72.01640	1.4
73.02924	1.7
79.05500	17.6
81.03420	34.9
81.07057	34.5
83.04997	8.3
83.08624	18.7
85.02911	22.0
85.06554	3.3
91.03973	1.7
91.05476	24.1
93.07045	14.9
95.04970	15.2
95.08601	15.0
97.02905	1.9
97.06487	2.0
97.10184	2.9
98.20791	2.8
99.04443	1.8
99.08099	1.8
105.07034	14.0
107.04958	3.2
107.08611	10.4
109.06526	4.2
109.10158	78.7
110.10464	2.2
111.04436	2.9
111.08095	10.5
113.06009	3.3
115.05435	1.9
117.07063	2.3
119.08581	19.5
121.06562	1.8
121.10153	6.6
123.08112	3.2
125.09615	3.0
129.07002	7.0
131.08546	8.1
133.06468	1.7
133.10133	6.0
135.11717	1.8
137.09615	3.7
139.62747	1.5
145.10135	4.9
147.11681	7.1
149.09637	4.7
155.10722	4.2
157.10107	10.6
158.17580	1.4
158.42905	1.5
161.09657	2.1
165.09114	8.1
165.12778	2.4
173.11754	19.8
175.11124	9.4
193.12245	30.3
207.10120	2.3
211.13287	41.6
211.15251	2.4
227.14384	1.5
229.14445	4.0
255.09122	3.2
263.16370	3.5
267.09103	1.8
267.15933	6.1
285.10229	3.4
324.11575	2.1
421.25803	5.8
439.26950	99.8
440.27390	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	439.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.4
54.42244	1.6
55.01876	3.1
55.05514	11.1
56.05017	1.9
56.96563	1.9
57.03428	7.7
57.07072	21.6
57.86451	1.8
58.07385	1.6
58.99610	1.9
61.02927	2.0
65.03931	2.3
67.05505	5.4
69.03419	9.2
69.07063	12.4
69.66653	3.0
69.67054	12.1
70.06586	13.6
71.04985	6.6
72.08143	4.3
73.02902	2.0
79.05492	5.6
81.03433	3.0
81.07058	66.0
82.03712	1.8
83.04987	3.3
84.04505	4.2
84.08120	4.3
85.02909	17.2
85.06544	18.8
86.09701	7.6
87.00823	3.2
91.05477	6.9
93.07025	4.0
95.04969	5.4
95.08607	23.8
97.02912	8.5
97.10175	12.3
98.97569	2.9
99.04498	1.9
99.08092	69.1
105.01882	3.6
105.07048	5.7
107.04958	10.1
107.08609	3.2
109.02883	5.6
109.10132	4.0
111.04446	2.6
111.11736	2.6
115.03938	1.8
116.07047	2.1
119.04936	7.2
119.08583	3.1
120.08106	2.7
121.02869	21.7
121.10104	4.3
123.08096	2.5
124.07608	2.2
127.03882	4.2
129.10139	1.7
133.10118	2.8
136.06209	3.6
137.13234	20.2
145.02779	2.2
145.10124	2.9
147.04398	3.1
153.12770	3.7
155.14293	41.6
171.06592	1.8
173.05882	2.0
173.15370	33.0
189.01828	7.2
191.16414	43.2
195.02870	5.9
202.44217	1.7
203.03551	2.2
207.02919	12.1
221.75278	2.0
229.04907	4.8
247.05901	2.0
257.04489	4.2
259.08270	2.3
267.06686	2.1
268.07245	2.1
277.07086	2.7
277.10635	2.6
279.06436	4.6
283.06015	2.2
293.08078	4.0
294.05225	9.2
295.05945	24.4
296.06619	4.7
297.07593	4.6
297.15024	2.2
305.08075	2.0
307.05991	46.8
308.06668	17.9
309.07483	4.7
319.06250	2.3
319.09903	2.5
320.06845	4.2
321.07504	14.6
322.08359	7.8
323.09061	2.9
325.07074	43.3
326.07382	2.7
333.07632	3.6
337.07013	15.9
345.07629	4.0
346.08182	2.4
347.09052	5.9
349.07104	7.1
351.08704	8.8
361.07199	2.9
363.08798	2.4
365.10080	13.0
367.08194	2.9
375.08563	10.4
379.08148	11.9
391.07971	22.6
392.08652	2.5
393.09735	5.9
403.08078	15.0
409.09293	11.7
421.09167	39.1
422.09396	4.5
439.10251	100.0
439.15591	5.6
439.23712	3.1
440.10477	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	439.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.5
55.01872	7.3
57.03428	11.0
57.07062	6.5
61.02918	8.0
67.05490	10.0
69.03431	43.9
69.07057	4.0
70.06596	3.8
71.04979	8.4
73.01567	3.6
73.02903	4.3
73.06548	5.9
74.35970	3.0
81.03416	32.8
81.07052	8.9
85.02902	100.0
85.06549	6.2
85.10174	12.9
87.00826	39.5
91.59416	2.8
93.07034	5.3
95.04988	3.7
95.08606	53.7
96.06877	3.6
97.02894	23.2
97.06531	7.7
99.04479	15.2
99.08081	4.0
101.07195	2.7
105.01181	4.3
105.01861	51.0
105.07030	4.7
107.08593	5.3
107.62275	2.6
109.02876	23.0
109.10204	4.8
113.09639	35.3
119.08545	4.5
121.10120	4.4
123.08082	17.9
123.11723	3.0
127.03908	77.1
129.09155	4.0
131.10683	87.4
131.60976	3.1
133.10127	3.8
145.04955	15.9
145.10208	3.6
147.11755	3.4
151.19403	3.2
155.10629	16.7
159.10197	14.6
165.09195	3.1
173.11713	9.0
189.03896	4.2
191.12785	24.0
191.14290	4.7
201.11205	11.0
231.05052	18.3
238.43709	3.8
257.13684	4.6
281.13818	3.9
385.14899	3.8
403.16232	4.3
408.91769	3.9
439.23718	4.0
454.39615	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	438.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	1.8
55.01851	2.5
55.05507	7.0
57.03432	3.9
57.07067	5.1
59.05004	2.1
59.20823	1.1
61.02918	7.7
66.91317	1.2
67.05503	3.2
69.03422	10.9
69.07063	5.4
69.91826	7.3
71.04984	4.3
71.08633	19.2
73.02913	3.2
73.06553	28.8
79.05470	1.9
81.03410	9.0
81.07053	12.7
83.04963	1.7
83.08611	6.6
85.02424	2.2
85.02907	27.5
85.03425	1.7
85.06538	5.2
87.00843	10.9
91.05458	2.8
93.07051	1.9
95.04967	2.0
95.08615	15.6
97.02886	9.8
97.06559	1.9
97.10157	8.2
99.04449	5.9
99.08093	23.5
105.01846	9.1
105.07037	2.7
109.02877	9.8
109.10136	3.5
110.07143	1.2
111.11737	1.8
119.08579	2.3
121.10172	2.5
122.09699	1.6
127.03910	17.5
129.01802	1.2
129.12779	2.0
130.45856	1.1
131.08589	1.3
133.10121	3.3
137.09711	1.3
137.12186	1.7
137.13249	34.9
145.04971	5.5
155.08557	1.9
155.14308	100.0
159.02856	3.1
165.09108	1.5
173.15375	79.3
231.04926	1.2
265.13541	1.4
269.12714	1.5
285.09879	1.5
409.94586	1.2
438.20404	2.6
443.81186	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	437.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47390	2.1
52.26817	1.7
53.03940	2.6
55.01852	7.8
55.05511	18.3
56.96544	4.4
57.03432	3.2
57.07064	3.1
57.36407	1.8
59.04989	4.9
64.98698	2.3
65.03923	2.5
67.05505	100.0
68.05806	2.2
68.12366	1.8
69.07049	5.7
70.77081	2.3
71.04971	5.5
73.02902	1.8
79.05072	2.4
79.05494	23.8
81.03402	9.3
81.07051	30.5
83.01351	2.8
83.04977	11.2
83.08608	11.8
85.02886	6.8
85.06522	3.0
91.05484	20.2
93.06547	2.8
93.07039	29.8
95.04950	9.1
95.08614	15.8
97.02860	3.0
97.06538	5.7
97.10175	2.7
98.21611	3.2
99.04453	2.7
105.07012	11.3
107.04938	7.5
107.08590	15.0
109.06500	5.0
109.10157	71.0
111.04462	3.4
111.08065	4.2
117.06986	8.3
119.08601	14.2
121.10134	8.4
123.08093	5.1
125.09651	2.4
127.03896	4.5
131.08536	3.6
133.10138	4.5
135.08002	2.2
135.11676	13.8
137.09608	6.1
145.10149	11.3
147.08008	2.7
149.09636	3.6
155.10658	2.7
163.11157	17.9
173.09601	4.0
173.10306	2.5
173.11748	26.9
180.99896	2.0
181.12204	3.1
191.10667	4.6
209.11691	7.3
227.12807	15.5
275.20047	6.6
277.96600	2.6
285.10126	4.8
293.21219	2.8
437.19333	4.7
437.25290	82.5
438.25912	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	437.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61637	1.1
53.03939	1.3
53.49694	1.2
55.01873	7.0
55.05515	15.9
56.96546	1.5
57.03437	6.2
57.07073	1.5
59.04993	6.8
59.69277	1.0
61.02921	1.9
62.48273	1.0
65.03938	2.3
67.05505	100.0
67.85380	0.9
68.05843	1.8
69.03416	3.2
69.07072	6.3
71.05000	5.1
75.15564	1.1
79.05489	16.2
81.03428	9.9
81.07058	25.9
83.01355	5.1
83.04980	9.8
83.08626	14.2
85.02892	4.0
85.06531	4.0
91.04969	1.9
91.05488	18.7
93.07045	25.1
95.04460	1.2
95.04970	6.7
95.08588	11.5
97.02887	4.4
97.06535	5.6
97.10149	2.2
99.04463	1.4
99.08018	1.3
105.07015	10.1
107.04971	7.2
107.08601	13.8
109.06504	4.7
109.10155	75.1
110.10485	1.7
111.04431	3.8
111.08076	3.8
117.07016	3.4
119.08567	12.5
121.06522	2.9
121.10136	7.3
123.08052	5.0
125.05981	1.6
125.09603	2.4
127.03907	1.2
131.04942	1.2
131.08556	4.8
133.10204	2.3
135.08038	2.3
135.11707	10.8
137.09618	3.7
145.10132	15.5
147.08104	1.8
147.11717	1.5
149.02322	1.8
149.09662	2.4
153.12724	4.4
155.08534	1.5
155.10641	5.1
159.11649	1.4
163.11174	20.8
173.09608	3.3
173.11755	25.7
181.12257	3.7
183.11630	1.3
191.10730	3.9
193.04878	1.6
209.11813	5.8
216.27885	1.0
227.12753	8.6
228.23282	2.6
237.07497	1.5
265.14423	2.0
283.15448	1.0
285.10101	1.9
437.25339	83.9
438.20160	1.3
438.25726	3.5
438.29202	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	437.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.5
55.01876	5.7
55.02850	1.1
55.05264	1.2
55.05513	18.5
57.03429	5.2
57.07053	1.7
59.05005	6.0
62.44672	1.2
65.03938	2.1
67.05508	100.0
68.05827	1.9
69.03424	2.3
69.07082	5.4
71.04971	5.0
71.60344	1.7
72.04881	1.1
74.80241	1.0
79.05147	1.3
79.05498	17.3
81.03418	8.4
81.07066	26.5
82.52391	1.1
83.01328	5.0
83.04982	13.0
83.08619	11.8
85.02904	3.7
85.06548	3.6
91.05483	15.4
93.07053	21.5
95.04961	8.8
95.08620	13.5
97.02880	2.4
97.06538	7.8
97.10153	1.6
99.04404	1.3
102.89124	1.3
103.05489	1.4
105.07039	8.8
107.04972	6.3
107.08076	0.9
107.08603	10.2
109.02940	1.2
109.06528	6.2
109.10163	68.9
110.40330	1.2
111.04406	2.2
111.08075	4.9
117.07040	6.4
119.08590	12.4
121.06488	3.1
121.10159	6.8
123.04411	1.5
123.08080	5.7
123.11650	1.9
125.09679	1.3
129.07010	1.4
130.07761	1.5
131.08565	4.4
133.10135	2.4
135.08109	2.7
135.11707	10.3
137.09636	4.6
145.10150	12.4
153.12741	4.1
155.10617	2.9
163.11183	17.8
173.09627	2.8
173.11755	25.6
174.82043	1.1
174.98421	1.3
181.12236	3.5
191.10678	3.2
199.18423	1.3
209.11705	6.3
227.12819	10.3
247.08507	1.1
260.02350	1.3
265.14395	1.3
285.10162	1.3
437.25327	75.0
438.25629	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.29203	0.6
55.05503	2.0
57.03440	0.8
57.07069	0.8
58.84690	0.6
59.04984	1.0
59.51926	0.7
67.05497	2.6
69.03435	3.2
69.07060	2.5
71.04989	10.3
71.59187	0.9
72.73706	0.7
73.06562	3.1
79.05492	4.5
80.32050	0.6
81.03416	2.4
81.07055	16.7
83.08607	1.0
85.02899	8.2
85.06545	0.8
87.00835	3.4
91.05476	3.2
93.07045	13.4
95.04962	1.6
95.08603	6.2
97.02892	3.5
97.06523	2.1
99.04449	1.4
105.01869	5.1
105.07040	1.8
107.08586	8.7
109.02871	2.4
109.06514	0.9
109.10148	3.0
111.08076	1.3
119.08578	2.9
120.08083	2.3
121.06434	0.7
121.10129	1.6
122.09626	0.9
122.28147	0.7
123.11710	1.3
127.03918	7.0
129.05472	1.0
133.10110	2.2
135.11699	19.8
136.07573	0.7
136.12003	0.9
137.13277	0.8
145.04953	2.5
145.10143	1.1
147.11664	0.7
153.12743	100.0
154.13048	1.8
161.13293	3.4
167.07043	1.6
171.13762	1.1
179.14319	0.8
181.04977	1.5
182.05293	0.9
221.15385	2.7
221.18829	0.7
231.05070	1.8
233.08008	1.1
239.16443	1.6
249.06111	1.6
251.08708	1.9
264.09634	0.8
435.46390	0.7
436.19092	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	436.2183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	9.6
55.01881	4.8
55.05509	6.7
55.62494	3.4
56.02792	3.0
57.03437	10.1
59.05005	3.1
61.02924	5.0
67.05510	9.9
68.99764	3.7
69.03436	37.1
69.07072	20.5
69.61743	3.0
70.14460	4.6
70.14857	9.2
71.04996	6.8
73.02905	10.2
75.04478	7.8
79.05492	10.4
81.03417	32.0
81.07066	20.4
83.08627	6.0
85.02913	100.0
85.03423	5.2
85.06546	3.8
86.09734	4.6
87.00835	35.4
87.04500	3.8
91.05466	6.6
93.07043	16.7
94.07378	3.0
94.88525	3.1
95.04986	5.1
95.08613	58.8
97.02893	52.0
97.06549	9.0
97.10171	5.4
97.68494	3.0
99.04471	19.6
105.01873	55.1
105.07025	6.7
106.13154	2.9
107.04965	13.6
107.08601	14.1
109.02908	31.3
109.10155	20.1
111.11749	4.0
117.01881	3.6
119.08614	5.9
121.10147	3.3
122.09728	4.1
123.11686	3.8
127.03933	73.6
129.01831	3.1
131.08655	3.9
132.98813	3.6
133.10123	5.6
134.86517	3.2
135.11726	19.6
137.06007	4.1
143.08559	4.2
145.04976	35.2
145.10077	3.9
149.13379	3.4
153.12747	54.4
155.91559	3.3
159.02914	19.4
161.09650	4.0
165.09167	3.5
171.13814	76.5
172.14188	3.9
179.10785	3.2
213.04019	5.4
231.04959	21.2
239.16470	6.6
249.05965	5.8
408.19171	9.5
436.18600	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	436.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.5
54.13011	2.5
55.01865	8.8
55.05496	4.2
55.54628	2.3
57.03423	4.4
57.07090	3.1
61.02922	5.2
66.42754	2.6
67.05493	9.1
68.99788	3.5
69.03081	3.0
69.03431	30.8
69.07064	11.4
71.04977	19.0
71.60601	2.3
71.61000	3.8
72.08136	3.1
73.02942	5.1
73.06528	3.7
79.05495	10.0
81.03416	25.5
81.07056	25.4
82.06600	3.1
83.08630	3.7
84.08156	3.2
85.02901	68.2
86.09687	3.6
87.00826	34.4
91.05472	10.3
93.07043	33.2
95.04977	6.0
95.08595	12.4
97.02891	44.9
97.06517	9.4
99.04451	10.2
99.10720	2.7
100.11224	3.3
105.01868	40.3
105.07037	14.7
107.08585	28.2
109.02879	17.8
109.06529	8.4
109.10151	13.4
115.03934	4.1
117.01839	4.0
119.08578	20.5
121.06480	6.8
121.10153	6.7
122.10489	2.4
123.04375	3.3
123.11746	3.3
127.03913	40.9
129.07068	3.1
131.08572	5.8
133.10112	9.8
135.08008	3.1
135.11682	35.9
137.05986	3.4
137.09648	3.3
137.13235	3.8
143.06822	2.7
143.08559	5.2
145.04947	18.5
145.10106	6.2
147.08043	5.8
147.11647	4.3
149.09578	4.3
153.12735	100.0
155.08467	3.9
159.02907	7.6
159.08104	3.0
159.11673	5.8
161.13277	9.5
163.11121	3.2
165.12776	8.2
165.66628	2.7
167.06953	3.4
168.07297	4.1
171.13791	3.7
173.09608	5.0
177.12708	6.8
177.33089	2.7
179.14294	3.0
181.04950	2.3
182.05357	4.5
193.12201	3.5
195.13782	8.7
197.13199	3.6
207.13805	3.4
210.14815	2.9
215.14284	3.7
219.13843	3.1
230.11636	3.7
231.04926	12.4
239.16322	5.9
239.91655	2.8
243.13885	8.0
249.06126	6.1
258.11249	6.1
261.14822	8.9
271.06018	3.1
272.06174	6.0
273.06433	4.2
274.07007	3.7
275.13968	5.6
295.11185	3.5
347.14771	4.6
365.15964	11.1
383.17014	14.3
401.18228	4.7
436.19754	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2741
Annotation	Iriomoteolide 3a
Peak:m/z	Relative Intensity
53.03930	4.3
53.92526	1.0
55.01851	3.2
55.05261	1.8
55.05509	22.3
57.03439	11.5
57.07066	2.1
59.37483	1.0
65.03931	3.1
67.05504	77.9
69.03398	1.5
69.07072	19.1
69.95497	3.9
69.95912	1.8
71.01358	6.7
71.04993	5.8
75.74297	1.0
79.05492	67.5
81.03418	8.9
81.07053	32.8
83.04975	13.9
83.08622	5.4
85.06537	6.8
90.96432	1.2
91.05479	30.9
93.07041	71.2
95.04967	12.6
95.08602	14.0
97.06530	20.6
97.10165	12.8
98.21471	1.2
99.08075	2.1
100.29381	1.0
105.04481	1.5
105.07028	12.4
107.04975	5.2
107.05646	1.2
107.07864	2.5
107.08594	47.8
109.06504	4.9
109.10151	17.7
111.08086	3.2
115.05452	2.3
117.07040	8.0
118.79550	1.2
119.08570	12.2
121.06493	2.7
121.10132	9.7
123.08080	1.8
123.11649	1.1
125.09602	3.1
129.07011	2.7
130.07774	1.5
131.08571	3.3
133.10123	7.5
135.08052	2.5
135.11690	79.1
136.12013	1.5
137.09624	3.1
137.38951	1.0
143.08554	3.3
145.10115	15.7
147.08037	2.5
147.11662	3.4
149.05931	1.0
151.11220	1.9
153.12732	3.3
157.10159	2.2
159.11685	1.8
163.11186	12.1
171.11714	2.9
173.11716	2.9
181.12239	20.6
181.30649	1.2
192.09229	1.1
199.13232	5.5
207.13849	3.3
219.81068	1.0
237.14903	1.5
255.15916	2.5
273.18698	1.2
297.78220	1.2
341.02695	1.1
343.22714	2.7
349.09631	1.1
361.23627	1.3
417.20538	1.4
417.26608	2.0
435.22330	3.4
435.27429	100.0
436.27902	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	435.165
Annotation	CHEBI:67628
Peak:m/z	Relative Intensity
53.03939	2.5
53.04457	0.9
55.01871	2.7
55.05510	8.6
56.96558	1.3
57.03426	0.9
57.42968	0.9
65.03949	8.2
67.05508	7.8
69.03434	6.9
69.07072	4.8
70.06584	2.4
70.74744	1.2
70.75072	2.0
79.05489	10.1
81.03425	5.3
81.07051	9.8
82.04193	2.4
83.04958	2.6
83.08617	3.9
85.02910	9.6
86.09689	1.7
91.05477	8.1
93.03456	2.1
93.07037	5.5
95.04967	7.6
95.08600	6.5
97.02886	6.4
97.06527	6.2
97.10177	3.7
99.05513	0.9
100.07597	1.7
100.11266	13.2
103.05452	2.1
105.07019	6.2
106.04171	3.0
106.71076	1.0
107.04956	15.3
107.08604	5.0
109.02861	1.0
109.06518	2.6
109.10155	6.5
110.03671	3.3
111.04450	6.2
111.08101	1.0
115.05468	3.1
117.07018	4.5
119.04935	2.2
119.08572	4.7
121.06494	4.8
121.10181	2.1
123.04418	4.2
123.11726	2.6
124.05208	3.2
125.05997	5.7
127.03931	6.6
128.06230	1.6
128.07069	3.0
129.07013	4.2
131.04953	1.9
131.08516	4.8
133.06464	1.9
133.10156	2.7
134.03708	1.4
135.04526	1.3
135.08051	1.4
135.11708	2.7
137.05998	3.7
138.03090	1.3
139.07570	1.6
139.11137	1.5
140.07010	1.2
141.07024	2.1
141.11525	2.5
142.02603	2.5
143.08592	1.6
143.10622	1.2
144.05739	3.3
145.06493	7.9
145.10124	2.7
147.04422	7.4
147.11685	2.4
149.05998	4.7
149.13226	2.0
151.07529	1.5
152.04669	2.3
153.01825	12.9
153.09082	1.5
155.04936	1.3
155.07065	2.5
157.10146	2.6
159.08063	5.9
159.11736	2.6
161.05972	5.2
161.13272	1.2
163.03844	1.1
165.05473	1.1
167.07042	48.3
171.06563	5.8
171.10085	1.1
171.11667	1.7
172.05202	5.8
173.05962	3.7
175.07478	1.8
175.14780	1.3
176.04390	1.1
176.08368	1.5
177.05484	2.3
177.12741	1.2
181.04958	100.0
181.08511	3.0
182.05429	1.3
182.15417	7.9
185.05962	1.5
185.13188	1.1
187.07530	9.0
187.39336	1.0
189.05470	2.8
190.06358	1.2
191.07027	2.7
191.10629	2.4
195.06548	2.6
200.04771	2.3
201.05489	5.1
202.06065	1.1
205.08563	4.5
206.05772	2.1
209.08031	7.3
209.16551	2.1
210.14876	8.2
211.15167	1.3
218.05756	4.6
219.10123	5.4
221.08075	6.4
225.07727	1.0
228.15959	1.9
231.06358	1.5
233.08078	43.2
233.10403	2.1
235.09615	1.7
245.08212	2.3
245.18491	1.3
251.09154	3.2
263.06958	1.2
263.09219	14.0
268.21356	1.3
271.05997	2.8
272.06400	2.2
273.07568	18.4
307.09796	1.3
323.09174	1.6
331.74533	2.2
335.09152	1.3
339.12088	1.9
340.75171	1.3
353.75891	4.3
355.11679	2.1
367.11710	2.0
371.14960	2.0
381.13470	1.9
387.14349	11.2
399.14355	6.9
399.25177	2.1
417.15417	25.0
417.28857	2.2
426.29611	2.3
435.27374	8.7
435.33258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
53.04457	0.9
55.01871	2.7
55.05510	8.6
56.96558	1.3
57.03426	0.9
57.42968	0.9
65.03949	8.2
67.05508	7.8
69.03434	6.9
69.07072	4.8
70.06584	2.4
70.74744	1.2
70.75072	2.0
79.05489	10.1
81.03425	5.3
81.07051	9.8
82.04193	2.4
83.04958	2.6
83.08617	3.9
85.02910	9.6
86.09689	1.7
91.05477	8.1
93.03456	2.1
93.07037	5.5
95.04967	7.6
95.08600	6.5
97.02886	6.4
97.06527	6.2
97.10177	3.7
99.05513	0.9
100.07597	1.7
100.11266	13.2
103.05452	2.1
105.07019	6.2
106.04171	3.0
106.71076	1.0
107.04956	15.3
107.08604	5.0
109.02861	1.0
109.06518	2.6
109.10155	6.5
110.03671	3.3
111.04450	6.2
111.08101	1.0
115.05468	3.1
117.07018	4.5
119.04935	2.2
119.08572	4.7
121.06494	4.8
121.10181	2.1
123.04418	4.2
123.11726	2.6
124.05208	3.2
125.05997	5.7
127.03931	6.6
128.06230	1.6
128.07069	3.0
129.07013	4.2
131.04953	1.9
131.08516	4.8
133.06464	1.9
133.10156	2.7
134.03708	1.4
135.04526	1.3
135.08051	1.4
135.11708	2.7
137.05998	3.7
138.03090	1.3
139.07570	1.6
139.11137	1.5
140.07010	1.2
141.07024	2.1
141.11525	2.5
142.02603	2.5
143.08592	1.6
143.10622	1.2
144.05739	3.3
145.06493	7.9
145.10124	2.7
147.04422	7.4
147.11685	2.4
149.05998	4.7
149.13226	2.0
151.07529	1.5
152.04669	2.3
153.01825	12.9
153.09082	1.5
155.04936	1.3
155.07065	2.5
157.10146	2.6
159.08063	5.9
159.11736	2.6
161.05972	5.2
161.13272	1.2
163.03844	1.1
165.05473	1.1
167.07042	48.3
171.06563	5.8
171.10085	1.1
171.11667	1.7
172.05202	5.8
173.05962	3.7
175.07478	1.8
175.14780	1.3
176.04390	1.1
176.08368	1.5
177.05484	2.3
177.12741	1.2
181.04958	100.0
181.08511	3.0
182.05429	1.3
182.15417	7.9
185.05962	1.5
185.13188	1.1
187.07530	9.0
187.39336	1.0
189.05470	2.8
190.06358	1.2
191.07027	2.7
191.10629	2.4
195.06548	2.6
200.04771	2.3
201.05489	5.1
202.06065	1.1
205.08563	4.5
206.05772	2.1
209.08031	7.3
209.16551	2.1
210.14876	8.2
211.15167	1.3
218.05756	4.6
219.10123	5.4
221.08075	6.4
225.07727	1.0
228.15959	1.9
231.06358	1.5
233.08078	43.2
233.10403	2.1
235.09615	1.7
245.08212	2.3
245.18491	1.3
251.09154	3.2
263.06958	1.2
263.09219	14.0
268.21356	1.3
271.05997	2.8
272.06400	2.2
273.07568	18.4
307.09796	1.3
323.09174	1.6
331.74533	2.2
335.09152	1.3
339.12088	1.9
340.75171	1.3
353.75891	4.3
355.11679	2.1
367.11710	2.0
371.14960	2.0
381.13470	1.9
387.14349	11.2
399.14355	6.9
399.25177	2.1
417.15417	25.0
417.28857	2.2
426.29611	2.3
435.27374	8.7
435.33258	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1647
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
53.03900	0.5
55.01837	0.5
55.05484	0.6
57.03376	1.2
61.02874	1.7
65.03881	0.5
67.05478	0.6
68.99746	0.4
69.03426	5.5
70.06543	1.3
71.04951	0.8
71.58865	0.8
72.08075	0.4
73.02899	1.0
77.70141	0.4
79.05460	0.8
81.03352	1.7
81.07009	0.9
82.04138	0.5
83.04873	0.4
83.08563	0.5
84.04480	1.0
85.02901	9.5
86.09662	1.6
87.04410	0.9
91.05424	0.9
93.07011	0.6
95.04884	0.4
95.08547	0.5
97.02892	3.3
99.04402	1.1
100.11197	1.3
101.02333	0.4
105.06955	0.9
107.04932	2.6
107.08540	0.7
109.02817	1.4
109.10091	0.5
109.73141	0.4
110.06071	0.5
111.04387	0.7
111.22892	0.4
117.06983	0.6
119.04901	0.8
119.08556	0.5
120.08062	0.5
121.06470	0.4
121.10081	0.5
123.04454	0.4
127.03848	1.7
130.04947	0.5
131.04868	1.2
131.08498	0.9
133.10088	0.4
137.05902	0.4
141.04652	0.4
141.06911	0.7
145.06490	3.1
147.04395	7.6
157.06448	0.6
157.13292	0.6
159.08008	0.7
165.06932	0.6
167.07047	2.1
169.06505	0.7
171.04335	1.3
181.03590	0.5
181.04968	4.7
182.15308	1.0
187.07570	0.5
189.05389	1.9
210.14722	0.7
212.08243	1.3
215.07066	0.7
227.10651	2.1
228.07790	0.6
229.08595	34.3
233.08087	3.1
241.08539	1.8
245.12769	1.4
255.07495	0.8
255.10129	11.5
258.09982	0.7
271.06052	0.7
272.06448	1.0
273.11185	100.0
274.11523	1.7
283.19659	0.4
336.22885	0.6
391.14014	0.8
399.14587	0.7
417.15439	2.0
435.16568	18.9
435.33295	1.8
437.30273	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1651
Annotation	Scorzodihydrostilbene C
Peak:m/z	Relative Intensity
53.03936	0.2
55.01849	0.3
55.05481	0.4
57.03408	0.6
61.02909	0.3
67.05508	1.1
68.99773	0.5
69.03399	0.9
69.07043	0.5
70.06584	0.2
71.04996	1.0
71.17073	0.2
71.17409	0.3
79.05470	0.7
81.03391	0.4
81.07025	0.9
83.04951	0.5
85.02914	2.2
86.09699	0.3
91.05437	0.9
92.53378	0.2
93.07040	1.2
95.04962	0.4
95.08608	1.8
97.02885	0.4
97.06509	0.3
99.04417	0.6
105.06994	1.0
107.04967	1.8
107.08560	0.4
109.02846	0.7
109.06488	0.3
109.10106	0.9
115.05435	0.4
117.06990	0.7
119.04908	0.7
119.08534	0.3
121.10129	0.8
125.09641	0.3
127.03896	0.3
129.05434	0.2
131.04948	1.0
131.08556	0.6
133.10120	0.5
135.04460	0.3
135.11652	0.4
137.09572	0.6
139.11127	0.7
141.06926	0.4
145.06506	1.9
147.04411	7.5
153.12747	0.3
155.05948	0.2
155.08597	0.3
157.06502	0.5
159.08038	0.5
159.11633	0.7
161.06017	0.4
165.06947	0.7
169.06422	0.3
171.04396	1.3
173.13248	0.4
183.08031	0.5
183.11653	0.2
187.07538	0.8
189.05498	1.2
201.09114	0.4
211.07526	0.2
214.06148	0.2
219.13850	0.6
227.10643	0.2
228.07745	0.6
229.08603	42.5
230.08951	0.9
237.14842	0.7
243.06729	0.4
255.10147	5.9
255.15724	0.4
273.11212	100.0
274.11530	2.9
335.08047	0.3
417.11771	0.3
435.16586	16.7
436.16840	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1354
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	8.4
57.03418	14.1
61.02923	27.5
68.30600	3.6
69.03137	4.4
69.03432	47.5
70.06569	4.2
70.43764	14.5
73.02920	26.8
81.03407	6.9
85.02901	100.0
91.03934	16.9
95.08550	4.1
97.02891	50.4
98.97571	8.2
99.04430	9.3
101.00875	6.7
101.02348	4.5
115.03902	5.8
119.01914	35.6
119.08614	4.2
127.03920	51.7
131.01848	6.6
133.03439	17.0
137.02992	9.0
138.03386	7.0
143.01881	29.5
145.03468	7.6
145.04924	36.0
147.66539	4.4
148.92015	3.8
153.03960	9.1
155.01842	34.5
156.01909	4.4
157.03485	7.5
161.02945	48.2
162.54657	3.9
163.05977	5.0
171.05046	4.6
173.02960	78.8
174.03134	8.8
174.04486	5.7
175.57985	4.1
177.02451	5.2
182.70491	4.1
183.05043	18.4
183.55164	7.0
184.04645	5.7
185.02922	28.5
186.03220	4.8
187.00911	9.1
187.04428	4.3
189.02440	8.3
191.03903	12.0
192.05562	10.1
193.35464	4.3
197.02992	6.1
199.00780	7.0
203.03949	17.6
215.00397	13.1
215.04004	9.0
217.01921	12.7
221.05020	4.5
227.03917	3.7
231.03473	9.4
245.05054	67.2
246.05276	12.1
247.02933	9.9
255.07103	17.3
257.05170	6.4
258.06775	3.7
259.02991	5.3
263.06039	13.8
264.07693	78.6
264.57800	24.7
272.06580	11.3
273.08160	31.8
273.58295	11.3
275.02652	6.4
275.06000	9.3
275.20132	3.9
277.04068	4.5
289.04019	8.7
296.02859	4.7
305.07169	47.5
306.07529	7.7
307.04941	10.7
308.49243	4.2
315.01764	5.1
318.21133	5.0
321.95444	3.6
330.06641	4.3
333.02863	4.7
359.04340	5.6
361.02402	4.4
365.09119	16.6
375.04388	11.6
377.05496	5.1
386.60272	4.3
393.05423	5.4
407.10400	5.1
421.04608	4.3
425.11438	7.2
435.07596	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	434.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00618	1.7
55.01853	4.4
55.05504	4.0
56.96563	3.4
57.03439	10.0
57.81509	1.8
60.04516	6.3
61.02922	3.0
67.05501	4.0
69.03426	7.4
69.07059	3.7
70.06583	7.4
71.04992	4.4
71.58687	3.2
72.08139	5.6
73.02907	2.3
75.04482	7.4
76.21899	1.9
79.05484	4.7
81.03404	5.8
81.07040	5.9
83.04958	5.7
84.04500	3.4
84.08140	1.9
85.02897	21.8
86.09699	7.8
91.05478	8.5
93.07026	6.5
94.06544	2.2
95.04945	2.2
95.08588	5.1
97.02869	7.8
97.06494	2.7
98.97551	3.3
99.04444	3.4
102.87228	1.9
103.05457	23.9
105.07024	7.8
107.04940	4.4
107.08592	7.1
109.02898	3.5
109.06505	4.0
109.10156	5.6
110.03629	4.7
111.04431	2.3
116.98625	2.9
119.04925	10.2
119.08576	6.2
121.06495	6.2
121.10155	3.3
123.04420	7.6
123.11704	2.6
124.05238	2.0
124.07607	14.1
127.03922	5.2
130.06557	3.7
131.04927	100.0
131.08611	2.7
132.04428	2.2
132.05301	3.4
133.06461	2.2
133.10118	9.0
135.08025	5.8
135.11711	3.8
137.05972	17.4
138.06766	13.2
145.04965	4.9
145.10156	4.6
147.04433	3.5
147.07970	1.9
147.11702	4.6
148.05182	10.9
149.05978	2.8
151.07536	11.5
153.01836	3.8
157.07639	2.8
158.99600	3.5
159.11661	3.2
161.01260	2.9
161.05972	3.3
161.13239	2.1
163.07529	68.5
166.06245	22.2
167.07018	2.5
173.13249	3.9
177.00755	2.5
179.07045	4.4
181.04970	3.6
181.08554	27.6
191.10732	2.4
191.14363	4.3
219.10104	3.8
234.99066	3.0
237.02853	3.1
237.11192	22.4
240.12233	3.1
254.13760	6.4
255.12282	70.4
256.12836	2.1
272.06424	3.9
272.14807	3.2
273.07419	3.2
276.16959	2.0
299.20016	4.6
317.21033	6.9
357.11392	2.1
365.83810	2.2
435.12762	3.1
435.18317	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	433.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	24.6
59.05003	51.5
64.22495	9.4
65.26271	9.1
67.05487	16.4
67.92692	8.3
68.15836	9.8
70.02340	44.5
85.06537	100.0
91.05463	42.6
91.51012	9.3
93.07036	35.5
94.00728	8.8
95.08604	26.6
105.07030	34.3
107.08566	28.0
109.06546	12.2
111.08105	10.7
117.07007	14.8
119.08574	68.5
121.10139	18.1
125.09624	20.8
126.32053	9.3
129.07082	11.0
131.08568	25.8
133.10156	16.6
137.09637	22.1
142.07793	14.1
143.08508	22.4
145.10109	39.6
147.11696	14.9
151.11165	20.2
156.09512	10.7
157.10097	42.8
159.11728	18.2
169.10193	14.7
171.11723	17.0
175.14748	10.3
183.11670	11.0
185.13313	11.3
194.10794	10.2
338.69897	10.1
404.05249	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	433.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53373	7.3
55.05503	27.9
59.05006	47.7
60.32640	6.8
67.05512	14.7
69.35333	71.3
79.05488	18.9
80.12092	5.9
81.07047	8.4
85.06548	100.0
91.05484	44.4
93.07032	25.1
93.12468	7.3
95.04973	8.7
95.08606	28.6
105.07039	33.3
107.08605	13.7
109.06550	8.5
109.10143	13.0
111.08102	10.5
117.06994	13.8
119.08601	48.1
121.10112	23.9
123.08059	9.0
125.09593	23.4
131.08589	19.6
133.10133	16.5
135.08087	8.1
137.09586	26.2
142.07762	9.3
143.08542	21.5
145.10112	28.4
147.11716	9.8
149.09622	9.7
151.11191	31.0
155.08585	8.0
156.09309	11.2
157.10106	24.3
159.11671	13.2
163.11160	9.9
165.12839	7.7
167.08487	6.6
171.11708	24.5
183.11647	10.5
185.13327	10.8
209.13329	16.1
209.15402	7.2
211.14777	8.4
221.13243	8.7
341.24667	7.8
391.05200	8.0
413.59982	7.8
433.30551	11.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	1.2
53.03939	3.5
55.01866	7.4
55.05513	23.8
57.03446	6.2
62.60876	1.1
65.03928	2.3
67.05505	31.5
69.03429	6.5
69.07066	10.5
69.28461	5.4
69.28884	5.4
71.04974	2.6
72.55782	0.9
79.05492	40.2
81.03416	6.9
81.07057	31.3
83.04988	6.9
83.08620	13.0
85.02925	2.4
85.06535	2.5
91.05479	30.8
93.07046	28.3
94.56440	0.9
95.04968	31.5
95.08602	17.9
97.02850	1.7
97.06553	4.8
97.10166	18.4
98.20633	1.1
99.04448	1.5
99.08084	1.8
103.05456	2.8
105.03379	1.5
105.07034	22.1
107.04953	12.8
107.08598	21.1
109.06505	5.8
109.10138	10.5
111.08076	3.9
111.11710	1.1
115.05447	3.4
116.06216	1.1
117.07005	14.7
119.04908	3.7
119.08576	14.3
121.06513	17.3
121.10146	17.4
123.08076	7.0
123.11691	2.7
125.05959	1.1
125.09628	10.9
128.06233	3.7
129.05478	2.9
129.07007	19.5
130.07724	1.6
131.04933	8.8
131.08571	21.2
133.06514	7.4
133.10147	8.6
135.04381	1.6
135.08035	10.2
135.11665	3.4
137.05962	1.5
137.09627	2.7
141.06985	6.5
142.07785	1.5
143.08559	12.9
143.10655	1.4
145.06494	18.2
145.10115	11.6
147.08032	6.6
147.11691	3.6
149.09624	21.2
150.93581	1.0
151.07545	2.3
153.06992	1.6
153.09039	2.0
154.07721	2.3
155.08553	7.7
156.09248	1.5
157.06523	4.8
157.10068	6.3
159.08063	7.4
159.11681	8.4
160.08788	1.2
161.05959	1.6
161.09604	4.6
161.13275	2.8
163.11189	4.3
165.07063	1.5
165.09109	1.0
165.12823	1.1
166.07773	1.6
167.08589	3.9
169.06462	2.0
169.10118	10.9
171.08028	3.3
171.10248	1.4
171.11661	17.0
173.09627	6.1
173.13243	2.0
175.11212	3.3
177.09081	1.1
177.12720	3.2
179.08560	2.4
181.10123	3.5
183.08023	2.3
183.11661	4.3
185.09641	2.8
185.13277	3.7
187.11195	10.4
189.09200	2.0
189.11186	7.8
189.12747	12.8
189.16428	1.0
191.10689	1.2
193.10159	2.5
193.12233	2.9
195.11621	2.5
197.09648	3.7
197.13292	2.8
199.11214	4.3
199.14854	1.8
201.12773	3.2
203.10719	1.0
203.14326	1.5
205.12288	6.5
207.11725	2.1
209.13271	2.9
211.11198	6.8
211.14796	1.7
212.11960	1.5
213.12796	3.0
215.10698	2.8
215.14351	2.8
217.12279	1.1
221.13335	1.6
223.11340	1.4
223.13293	4.6
225.12665	3.8
227.12769	4.3
229.12216	4.0
231.13805	3.1
239.14363	2.2
243.13803	4.2
247.13239	1.7
249.14935	2.9
257.15353	2.2
257.52988	1.0
267.15930	3.1
271.06024	28.1
272.06226	1.8
273.14914	2.9
275.16724	1.0
295.20627	3.7
305.18973	2.3
313.21686	4.7
321.16901	2.3
323.20059	19.5
335.18460	1.7
341.21112	92.0
342.21384	1.7
349.20367	1.3
359.22073	9.2
361.21555	1.3
377.23340	2.2
379.22702	1.1
397.23685	2.4
415.24796	44.6
433.25851	100.0
434.26248	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	433.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.4
55.01871	9.1
55.05508	25.8
57.03436	7.4
59.05001	1.0
65.03932	2.1
67.05502	32.7
69.03419	4.7
69.06725	0.8
69.07067	10.6
70.00249	1.7
70.00655	3.2
71.04984	3.2
73.06520	0.7
77.03929	0.8
79.05489	34.9
80.05806	0.8
81.03406	6.0
81.07054	25.6
83.04979	5.1
83.08614	13.0
85.02938	0.8
85.06528	1.7
91.05480	29.2
93.07041	26.5
95.04359	1.4
95.04963	26.2
95.08604	13.7
97.06513	4.6
97.10172	17.2
99.08102	1.0
103.05470	2.3
105.03417	1.2
105.07029	20.5
107.04946	11.6
107.08590	18.8
109.06528	4.1
109.10155	6.9
111.08083	2.4
115.05459	3.1
116.06250	1.1
117.07017	14.4
119.04941	2.6
119.08566	13.3
121.06512	13.8
121.10138	14.9
123.04465	1.1
123.08043	5.7
123.11723	0.9
125.05962	0.7
125.09627	14.7
128.06189	5.1
129.05470	2.2
129.06995	19.3
130.07765	1.2
131.04922	9.7
131.08565	19.3
133.06512	7.0
133.10121	5.8
135.04430	1.5
135.08051	7.9
135.11673	2.6
137.05954	0.9
137.09624	2.5
141.06982	7.4
142.07797	1.3
143.08553	11.2
144.09320	1.2
145.06476	20.1
145.10114	12.2
146.07288	0.9
147.04352	0.8
147.08055	8.5
147.11694	3.2
149.09624	20.6
151.07538	1.2
151.11201	1.4
153.06996	1.8
153.09126	2.5
154.07785	2.5
155.08574	8.2
157.06502	2.8
157.10126	6.3
159.08060	8.4
159.11687	7.4
161.05952	1.0
161.09660	4.9
161.13269	2.5
163.11188	4.3
165.07028	1.7
166.07770	1.2
167.08546	3.5
168.09462	0.9
169.06502	1.7
169.10121	10.3
171.08046	4.9
171.10278	1.3
171.11671	16.7
173.09624	6.3
173.13249	1.4
175.11221	2.5
177.12776	2.4
178.07681	0.8
179.08542	2.6
181.10104	2.7
183.08054	2.1
183.11658	4.8
185.09637	3.0
185.11810	0.9
185.13284	4.2
187.11192	9.0
189.09135	2.7
189.11198	10.5
189.12778	9.9
189.27956	0.8
191.14487	0.9
191.60329	0.7
193.10147	1.8
193.12222	1.8
195.10106	0.9
195.11688	2.4
196.68098	1.0
197.09579	4.8
197.11389	0.7
197.13290	2.8
199.11221	3.1
201.12724	2.4
203.10696	2.1
203.14323	1.6
205.12245	6.6
207.11726	1.9
207.13683	1.1
209.09457	0.9
209.13335	2.3
211.11185	7.2
211.14934	1.4
211.28809	0.8
212.12061	0.8
213.12755	3.1
215.10757	2.8
215.14209	1.4
219.13905	1.4
221.13377	1.3
223.11458	0.8
223.13232	5.0
225.12715	3.5
225.16370	1.0
227.12627	4.8
229.12204	3.9
231.13815	2.7
237.12791	0.9
239.14317	1.9
243.13776	4.9
249.14926	2.8
257.15430	3.1
261.14932	1.4
267.15970	3.3
271.06076	4.9
273.14792	2.4
275.16306	1.3
277.19516	1.7
295.20596	2.7
299.20041	1.1
303.15726	0.9
305.18851	2.3
313.21716	5.9
315.58249	0.8
317.17563	1.4
321.16937	2.1
323.20041	18.8
331.18881	0.9
331.22583	1.6
335.18680	2.1
341.21109	93.2
342.21484	2.2
349.20166	1.4
359.22131	8.3
377.23288	2.0
379.22943	1.9
397.23734	2.9
415.24783	46.5
416.25226	1.4
433.25854	100.0
434.26175	3.1
453.00943	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	LMPK12110338
Peak:m/z	Relative Intensity
53.81238	1.3
70.84363	2.9
70.84760	2.7
76.94736	1.2
79.01830	3.0
83.04966	1.6
85.02901	2.2
95.04912	1.7
109.02845	1.7
110.15371	1.4
119.04946	3.5
119.08629	1.3
121.02869	18.0
145.02850	3.8
163.03909	2.2
165.01831	5.2
167.03383	2.2
182.76465	1.3
183.02943	3.2
187.04030	1.8
210.83975	1.3
213.05405	4.4
217.04985	3.6
227.06841	1.6
243.06560	1.6
255.06548	5.6
256.07278	10.8
259.06073	3.3
261.03964	2.8
267.06506	3.9
271.06039	5.2
281.08224	3.1
283.06009	92.5
284.06750	41.4
285.07620	2.9
295.06055	17.6
297.07495	19.0
308.06696	3.0
309.07568	12.4
311.05569	2.7
313.07037	100.0
314.07465	3.3
321.07681	2.7
323.09097	21.1
325.07022	6.6
327.08633	2.0
333.07666	2.1
337.07025	30.7
343.08167	6.0
349.07294	3.8
351.08691	6.0
361.06882	2.6
367.08127	21.0
379.08047	16.0
397.09155	35.0
397.14063	2.6
415.10217	47.4
433.11307	99.7
434.11780	3.9
448.81821	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	433.2351
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05516	13.4
55.67587	2.6
57.03437	11.4
57.07080	3.0
66.80513	2.3
67.05509	49.4
69.07063	10.8
71.32298	6.3
75.08352	2.2
79.05490	27.5
81.07050	53.6
83.08614	8.5
91.05466	16.6
93.07041	35.9
95.04944	4.3
95.08610	43.0
97.06535	2.5
97.10138	4.3
98.98463	75.4
100.22836	2.6
100.23529	2.7
105.07028	16.0
107.08590	28.5
109.10157	21.1
117.07040	6.0
119.08568	11.6
121.10136	23.2
123.11715	7.9
131.08568	9.8
133.10130	10.4
135.11714	14.2
145.10139	11.0
147.11708	6.0
149.13237	12.4
153.05472	5.8
155.01059	10.1
159.11690	10.1
161.13277	7.2
163.11113	3.4
163.14842	6.9
171.11681	3.3
171.86099	2.8
173.02065	13.6
173.13293	6.6
177.16420	2.9
201.16483	2.7
233.22533	3.0
243.21086	21.1
261.22165	53.7
262.22412	2.8
271.06012	11.1
280.35938	2.7
283.07202	2.6
317.24640	6.7
335.25806	100.0
336.26297	3.3
415.22385	3.9
433.29517	3.7
433.36575	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	433.1132
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.03937	0.5
55.05507	1.0
56.30730	0.3
57.03446	0.6
61.02921	0.7
67.05495	0.8
68.99796	0.5
69.03410	1.2
69.07069	0.7
70.06573	0.5
70.16416	1.6
70.16826	0.7
71.04993	0.9
72.08159	0.6
73.02895	0.7
79.05474	0.6
81.03416	0.6
81.07028	1.2
82.07359	0.4
84.08144	1.1
85.02905	3.4
85.06570	0.5
86.09698	1.2
91.05482	0.7
93.07040	0.7
95.08572	0.8
97.02885	1.7
97.06506	0.9
99.04407	0.6
105.01891	0.4
105.07030	0.6
107.08593	1.2
109.02863	0.5
109.06489	0.5
109.10156	0.7
114.33621	0.4
116.07042	0.4
119.04919	1.8
119.08555	0.8
120.08086	0.5
121.02858	1.0
121.10131	0.9
123.08050	0.5
123.11695	0.7
125.05991	0.5
127.03925	1.0
133.10150	0.5
135.08086	0.4
137.09596	0.4
141.06844	0.4
145.02789	0.5
149.22366	0.4
151.11188	1.3
153.01839	4.3
153.09145	0.4
157.07559	0.7
158.06026	0.4
163.03833	0.6
165.05244	0.4
167.10645	0.6
169.08664	0.4
169.12268	1.2
171.02904	0.7
181.04959	0.7
191.14468	0.5
213.80614	0.4
220.33496	0.4
235.17058	0.5
237.02748	0.5
252.09410	1.1
271.06015	100.0
272.06320	2.7
283.06036	3.4
284.06873	1.2
295.05988	0.5
296.07303	0.4
307.13187	0.4
309.07605	0.6
313.07013	4.0
323.09494	0.9
333.06586	0.5
337.07037	1.8
367.08075	0.9
379.07849	1.3
397.08978	1.2
415.10104	1.1
429.76398	0.4
433.10974	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	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
57.02587	0.2
57.89428	0.1
67.01868	0.4
68.99811	0.3
69.50170	1.2
70.43083	0.1
82.96664	0.1
85.02940	0.2
91.05459	0.3
119.04941	1.4
120.61769	0.1
121.02863	0.5
145.02867	0.5
153.01830	3.7
163.03911	0.4
171.02879	0.5
209.75522	0.2
225.05434	0.3
229.04890	0.2
239.15359	0.2
243.06575	0.5
254.06100	0.2
266.16641	0.1
271.06021	100.0
272.06329	2.2
433.11349	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	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.7
55.05517	5.9
56.05035	3.7
56.96566	0.7
57.03416	1.0
57.07069	0.6
58.52674	0.6
60.04520	4.4
67.05175	0.7
67.05508	10.4
68.05025	1.5
68.99792	0.6
69.06760	0.6
69.07066	5.3
70.06579	1.9
70.63770	1.6
71.04994	1.3
72.04515	0.6
74.06087	0.9
78.98116	0.5
79.05492	6.4
81.03408	0.8
81.07063	11.7
82.06586	2.5
83.08616	3.3
84.08162	0.7
85.02914	1.3
85.06558	1.0
86.06062	4.3
86.09685	0.7
88.30760	0.5
91.05482	2.8
93.07048	7.0
94.06568	1.3
95.04989	0.8
95.08611	9.5
96.08123	4.7
97.02879	1.2
97.06535	2.1
97.10166	1.2
100.07632	0.7
105.07027	1.7
107.08598	4.0
109.06541	0.9
109.10181	3.9
110.09682	0.8
114.09162	2.7
116.10710	0.6
119.04949	0.9
119.08578	1.0
120.08068	0.5
121.02831	0.5
121.10133	2.6
121.33194	0.5
122.06075	0.6
123.11728	0.8
124.07565	0.9
126.09190	1.1
130.08644	0.5
131.08531	0.9
133.10103	1.2
135.04448	0.5
135.11679	1.0
140.06960	0.6
147.11734	0.9
149.09657	0.8
149.13255	0.7
153.01846	2.2
181.21571	0.5
192.01855	0.5
196.20583	1.3
198.18553	0.5
212.20055	0.9
216.30904	0.5
222.22179	5.5
224.20035	0.8
230.11787	0.8
236.23730	0.7
238.21684	6.5
247.14447	1.7
248.20062	0.6
248.23767	4.4
249.15968	0.5
252.23366	0.9
259.09698	0.6
264.23233	7.9
266.24789	40.9
267.25150	1.3
271.06015	35.8
274.21805	0.7
281.15164	0.6
282.24283	48.6
283.06042	1.5
283.24503	0.6
284.25839	43.1
285.10086	1.0
285.26382	0.9
287.05496	20.0
292.22827	2.2
300.25342	43.1
301.25720	1.1
310.23819	3.8
313.07065	0.6
328.24847	7.7
346.25998	3.0
346.71527	0.5
370.26157	0.8
388.26923	12.1
397.09018	0.6
414.20184	0.7
414.24976	1.1
432.25961	100.0
433.11331	0.9
433.26285	3.5
452.29114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2595
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.0
54.89666	0.8
55.05511	5.4
56.05034	1.2
56.96566	1.2
57.03432	0.8
58.06591	1.2
67.05509	11.8
67.54417	0.8
69.03425	2.2
69.07066	4.6
70.06593	14.4
71.43551	2.0
72.08146	2.0
73.06540	1.5
74.06048	1.0
76.38922	0.7
78.27099	0.8
78.75298	0.9
79.05492	6.4
81.03391	1.1
81.07061	9.9
82.06577	2.2
83.04971	0.8
83.08609	1.1
84.04505	2.5
84.08124	1.2
85.02902	3.3
86.09703	25.3
86.38776	1.0
87.04476	2.2
87.10014	7.0
88.04011	1.4
89.06027	23.2
91.05468	3.5
93.07036	8.7
93.88715	0.8
95.04952	1.2
95.08605	10.1
96.08144	9.7
97.02891	1.5
98.09692	9.6
98.97564	1.7
102.05573	1.1
105.07005	2.5
107.04934	1.2
107.08556	4.2
109.10146	3.5
110.09693	2.2
112.08455	0.8
114.09145	7.5
116.98600	1.6
119.08575	1.9
121.02876	2.3
121.10169	4.0
124.11209	1.5
127.03896	0.9
131.08560	1.2
133.08606	15.3
133.10144	1.8
135.11676	1.3
136.49057	0.9
137.06085	1.1
138.12801	3.0
145.10190	1.5
147.11656	0.9
149.09595	1.9
149.13275	1.0
152.14328	0.9
156.10146	1.3
157.10466	0.9
173.13187	1.1
177.11162	5.8
184.09628	1.9
189.12389	1.9
190.12686	1.5
194.55188	0.8
201.12410	2.1
202.12724	2.0
203.03394	1.7
203.13901	2.2
204.14275	1.7
205.03142	0.8
215.13988	1.5
216.14238	1.9
221.13951	1.2
229.11833	2.1
230.12219	2.5
236.20094	1.4
237.02782	1.6
239.08929	0.8
243.13470	1.7
244.13716	1.0
246.22488	0.9
248.23723	24.5
264.23224	30.8
266.24768	15.0
270.17221	0.8
271.05991	7.0
282.24243	20.0
283.06021	3.4
284.25793	15.3
292.22720	3.7
293.08170	1.2
300.25323	26.5
307.06149	1.7
308.06702	1.7
310.23676	7.0
313.07077	1.6
321.07541	4.5
328.24820	20.7
338.77109	0.9
346.08499	1.1
346.26016	2.6
349.07050	3.0
351.08569	0.9
359.09119	1.3
361.07312	0.9
363.08771	1.0
377.10205	1.1
379.08185	1.6
387.08719	1.6
388.26981	12.7
405.09616	2.6
414.24896	1.1
415.08344	2.4
415.25394	8.3
430.95819	1.1
432.25967	100.0
433.09082	17.9
433.14438	1.5
433.26215	3.4
441.11655	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.06121	33.4
70.78703	50.6
70.79065	45.5
81.07024	25.7
83.06068	26.7
84.18073	21.7
106.31003	21.9
110.07149	66.3
117.17952	22.9
122.07203	30.9
125.34906	22.9
125.65314	23.8
134.07126	31.7
136.08693	35.5
149.08267	34.0
151.07585	51.0
160.08736	29.4
165.09154	34.0
167.07001	100.0
241.34468	26.3
431.35217	72.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.8
55.01871	3.1
55.05517	5.7
56.05028	2.2
57.03417	2.9
57.07058	1.3
58.06599	2.2
61.02917	2.2
65.03936	1.1
67.05509	7.7
67.90137	1.2
69.03431	7.6
69.07063	6.9
70.06594	11.5
70.70335	2.6
70.70705	2.0
71.04993	3.8
72.08144	5.4
73.02901	5.1
79.05487	4.2
81.03397	3.0
81.07054	10.0
82.06592	1.5
83.05003	2.2
83.08617	1.4
84.04512	2.2
84.08151	2.2
85.02907	16.0
85.06553	1.4
86.06065	1.4
86.09707	9.4
87.04458	2.2
91.05466	15.4
93.07030	8.6
94.06595	1.7
95.04955	3.9
95.08597	13.7
96.08129	6.8
97.02891	11.0
97.06512	3.8
98.06070	1.8
98.09694	3.0
98.97588	2.0
99.04444	2.2
100.07610	4.2
105.07020	8.0
107.04948	1.9
107.08589	13.6
108.08115	3.0
109.02872	1.9
109.06509	3.7
109.10158	13.8
109.25677	1.2
110.09670	3.3
111.08106	2.2
114.09159	2.0
115.03925	1.3
116.98660	1.3
117.07053	1.8
119.08592	9.5
120.08084	1.4
121.02808	1.3
121.10150	15.0
123.08058	5.2
123.11747	2.7
124.07588	2.4
127.03925	4.0
128.98615	1.5
129.07033	1.9
131.08568	4.3
133.04971	1.9
133.06473	1.6
133.10117	10.2
135.08040	2.8
135.11659	7.3
137.09612	4.1
139.11186	1.9
145.04961	4.5
145.10114	3.5
147.11720	3.3
148.07553	3.7
149.09624	1.6
149.13264	6.4
150.12773	1.5
151.11118	1.4
158.10918	1.3
159.11682	4.5
163.14771	1.2
165.16452	1.5
166.08591	1.7
173.13199	4.6
175.14838	5.9
177.12750	1.9
190.15848	1.3
191.14287	3.3
193.15865	4.5
195.13750	1.4
204.08768	2.8
208.16995	2.8
209.15320	1.9
219.01892	1.3
222.09750	3.0
223.13275	1.2
226.18033	3.9
231.06766	2.1
234.18559	4.4
241.07112	1.5
248.23732	5.4
252.19586	100.0
253.19861	1.7
262.16071	1.4
264.23236	6.2
270.04337	1.6
270.20688	6.8
271.05991	29.1
282.24243	3.3
284.25726	4.2
300.25308	4.7
328.24933	3.9
388.26962	2.8
389.14224	2.8
432.26550	55.4
433.13046	12.5
433.25949	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	431.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03958	0.8
53.90676	0.5
55.05509	2.5
57.03440	4.5
57.07078	1.6
62.72556	0.6
67.05508	11.6
69.03445	0.7
69.07069	2.0
69.21812	0.5
70.79654	1.4
78.26328	0.5
79.05486	3.1
81.07060	12.0
83.08621	2.4
91.05495	2.3
93.07040	3.0
95.04964	0.9
95.08614	10.4
97.06567	1.1
97.10143	0.7
98.98453	0.7
101.07208	0.6
105.07008	1.2
107.08591	2.4
109.10158	4.7
111.08080	0.8
113.00019	91.5
113.35129	0.6
115.28019	0.6
119.08608	1.3
121.10144	2.3
123.11700	1.7
129.55612	0.6
131.01074	0.9
131.08578	0.6
133.10130	1.8
135.11702	1.3
135.84959	0.6
137.09641	1.0
137.13293	0.7
139.01604	0.8
147.11644	1.2
154.02612	1.4
155.01064	0.9
159.03157	0.6
161.13200	0.8
169.02617	100.0
170.02933	0.7
175.14766	0.6
192.44252	0.6
195.33861	0.5
224.83633	0.6
233.15524	0.6
245.22714	3.9
255.95018	0.6
263.23743	6.8
431.32242	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0981
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
50.16457	0.1
55.01864	0.2
55.05495	0.2
55.53255	0.1
67.05498	0.2
68.99788	0.4
69.03429	0.4
69.07063	0.5
69.66730	0.8
69.67136	0.4
70.06570	0.7
71.04991	0.4
72.08156	0.8
79.05480	0.3
81.03402	0.2
81.07054	0.7
84.04505	0.2
84.08130	0.5
85.02905	0.9
86.09215	0.3
86.09709	4.7
91.05478	0.5
93.07070	0.3
95.04993	0.2
95.08594	0.5
97.02879	0.3
97.06494	0.2
98.20708	0.2
99.08083	0.3
105.07044	0.4
107.08585	0.4
109.06510	0.2
109.10142	0.4
118.69115	0.2
119.08578	0.5
120.08073	0.2
121.02834	0.2
121.10114	0.5
126.11904	0.2
127.03933	0.4
128.06221	0.2
129.10242	0.2
131.08611	0.2
132.10219	0.3
133.10120	0.2
135.08041	0.3
137.05948	0.3
137.09573	0.3
141.06871	0.2
143.08540	0.2
143.11795	0.8
143.34912	0.2
145.04973	0.2
145.10074	0.2
147.08058	0.3
147.11801	0.2
157.06532	0.8
165.09042	0.2
165.10310	0.3
165.12740	0.3
171.04408	0.6
171.11284	0.7
173.12866	0.3
181.06418	0.2
183.13806	0.8
185.06007	0.3
187.07439	0.2
201.12383	0.2
208.14191	0.3
212.16370	0.2
213.05457	0.6
219.13445	0.2
227.06953	0.8
243.13303	0.5
251.12839	0.3
251.16364	0.2
255.06522	100.0
256.06888	3.5
269.17557	0.3
271.06079	0.5
273.06644	0.3
369.25943	0.4
394.66864	0.2
401.51755	0.2
424.20752	0.2
431.09695	1.6
431.18097	2.2
431.26224	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0974
Annotation	Chrysin 7-glucuronide
Peak:m/z	Relative Intensity
50.28032	0.1
55.05498	0.1
64.82725	0.1
67.01853	0.4
67.05495	0.2
68.99460	0.1
68.99784	0.3
69.03418	0.1
69.36530	0.8
73.02887	0.1
79.05476	0.1
81.03399	0.1
81.07043	0.2
83.04961	0.1
85.02894	0.1
90.15911	0.1
91.05467	0.1
93.07024	0.2
95.04911	0.1
95.08592	0.2
97.02877	0.1
97.06546	0.1
103.05451	0.6
105.03382	0.3
105.07005	0.1
107.08603	0.2
107.23016	0.1
109.10141	0.2
119.08538	0.2
120.08089	0.2
121.10127	0.1
123.11718	0.1
125.09630	0.1
127.03842	0.1
129.01834	0.1
129.03326	0.4
133.10097	0.1
145.10158	0.1
147.04393	0.4
147.11652	0.1
151.07623	0.1
153.01823	2.9
171.02942	0.4
174.71097	0.1
183.13757	0.1
187.07484	0.2
209.05872	0.4
213.05505	0.2
231.06639	0.2
255.06508	100.0
256.06860	3.4
287.05615	0.2
431.09674	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	430.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
55.05514	3.5
56.05032	0.4
56.96572	0.5
57.03427	0.6
57.07073	0.3
62.06090	1.7
62.62336	0.3
65.03934	0.4
67.05502	3.9
68.88406	0.2
69.03418	1.2
69.07058	1.7
70.06596	1.6
71.04987	0.4
71.07378	0.8
71.08631	7.1
71.59945	0.3
72.08154	2.8
73.02889	0.4
79.05054	0.5
79.05492	6.6
81.03407	0.7
81.07059	5.4
82.06570	0.6
83.07327	0.3
83.08613	1.6
84.04514	0.5
84.08142	1.7
85.02905	1.4
85.06509	0.7
86.06068	16.8
86.09706	0.4
87.04466	0.9
91.05475	2.9
93.07036	4.9
94.06584	0.4
95.04956	1.0
95.07346	0.4
95.08597	4.1
96.08125	4.3
97.02863	0.5
97.06534	0.7
97.10160	1.5
98.06052	1.7
98.09694	8.2
98.20130	0.3
98.97576	0.3
99.04433	0.6
99.08090	3.5
105.07018	1.2
107.04958	1.2
107.07436	0.4
107.08597	5.3
108.08115	3.6
108.08797	0.5
109.06493	1.4
109.10149	2.1
110.09687	0.6
111.04477	0.4
111.08069	2.0
112.07611	0.3
113.08368	0.5
114.09182	0.9
114.14263	0.3
115.05495	0.4
116.10731	53.3
117.07024	1.9
117.11093	0.3
119.08562	1.2
120.08076	0.3
121.06549	0.5
121.08864	0.5
121.10119	0.9
122.09643	2.6
123.11757	0.3
124.07558	1.5
125.09635	2.5
126.09158	1.1
133.10149	0.5
134.09616	0.5
135.08054	4.9
135.10390	0.3
135.11676	0.4
136.11180	0.8
137.13318	0.3
138.09157	0.6
140.10687	1.1
142.08618	1.9
142.12279	1.1
143.10670	9.6
145.06517	0.7
145.10083	0.5
147.11659	0.6
148.11266	0.3
151.07520	0.5
152.10645	0.7
152.14375	0.3
153.09137	2.2
154.12337	0.4
154.15967	1.8
155.07054	0.5
163.07582	0.8
163.11218	0.3
163.54750	0.3
164.14270	0.4
164.45947	0.3
165.09076	0.4
166.15930	1.7
168.17491	0.6
169.50897	0.3
171.10110	0.4
178.15907	1.0
181.08582	0.5
182.12605	0.6
185.11728	0.4
196.16997	6.7
198.14957	0.3
199.09686	0.3
199.13263	0.6
208.16971	0.7
210.18454	0.7
214.18015	76.4
215.12781	0.7
215.18248	1.4
220.16914	0.8
221.01309	0.4
222.18480	0.7
234.18567	0.6
238.17979	2.3
249.00684	0.6
250.18004	1.1
252.19630	2.1
256.19095	3.2
260.14972	0.6
261.13278	2.2
267.01654	0.7
268.19092	2.4
269.12418	0.5
270.20663	6.8
272.18619	0.8
286.20145	7.6
287.05576	1.1
296.18466	0.6
309.02945	0.4
314.19601	6.4
332.20667	100.0
333.21054	2.1
354.26746	0.3
368.27805	0.6
412.26865	2.5
430.28024	34.2
431.09460	0.5
431.28378	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	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01875	0.9
55.05264	0.2
55.05515	3.7
56.05029	0.5
56.35903	0.2
56.96558	0.4
57.03432	0.7
57.07070	0.2
59.05016	0.2
62.06092	0.9
65.03928	0.2
65.07325	0.2
67.05167	0.3
67.05507	4.9
69.03420	0.9
69.07063	1.5
70.06579	1.3
71.04984	0.3
71.07365	0.4
71.08634	3.8
71.60651	0.2
71.61026	0.3
72.08152	2.7
73.02925	0.4
77.57909	0.2
77.91443	0.2
79.05491	5.5
80.05003	0.2
80.45399	0.2
81.03421	0.4
81.06575	0.3
81.07056	5.3
82.07370	0.2
83.07370	0.4
83.08611	1.1
84.04499	0.5
84.08140	1.7
85.02913	0.8
85.06541	0.6
86.06068	14.9
86.09704	0.2
87.04462	0.5
91.05476	2.1
93.07049	4.0
94.06572	0.3
95.04978	0.8
95.08605	4.2
96.08131	3.7
97.02928	0.3
97.06504	1.0
97.10181	1.1
98.06055	1.4
98.09692	6.7
99.04460	0.3
99.08099	1.8
100.07632	0.4
101.06004	0.2
105.07014	1.1
107.04966	0.8
107.07412	0.2
107.08600	4.7
108.08126	2.6
108.08859	0.3
109.06515	1.0
109.08925	0.2
109.10160	2.5
110.09690	0.5
110.10419	0.2
111.04478	0.3
111.08083	1.7
112.07607	0.2
113.08385	0.3
114.09177	1.2
115.03934	0.5
116.10734	45.7
117.07023	2.1
117.11062	0.6
119.08589	1.1
120.08168	0.4
121.06508	0.5
121.08872	0.6
121.10149	0.5
122.09668	1.8
123.08097	0.5
123.11687	0.3
124.07602	1.1
125.09634	1.8
126.09166	0.8
127.03929	0.3
129.07051	0.3
131.08569	0.6
133.10158	0.6
134.09651	0.5
134.99643	0.3
135.08061	4.0
135.10381	0.2
136.08382	0.2
136.11240	0.6
137.09572	0.2
138.09138	0.5
140.10733	0.7
142.08649	1.4
142.12231	1.0
143.10678	8.5
145.06476	0.5
145.10159	0.5
147.11623	0.5
149.09644	0.3
151.07558	1.5
152.07912	0.6
152.10704	0.5
153.09111	2.5
154.12283	0.2
154.15881	0.3
159.11664	0.3
161.13177	0.2
162.12755	0.2
163.07509	0.5
163.11148	0.4
166.15907	0.4
178.15962	0.2
181.08607	0.5
189.11229	0.4
191.10686	0.7
192.10991	0.3
196.16989	1.5
198.14961	0.3
199.13336	0.7
202.45464	0.2
206.15450	0.3
208.16966	0.9
210.18581	0.9
214.18024	14.8
215.12851	0.5
215.18376	0.5
220.17026	1.2
221.84052	0.2
222.18507	0.6
226.17928	0.4
234.18465	0.5
238.18021	2.6
240.19647	0.3
249.00496	0.2
250.17992	1.1
252.19502	1.5
255.06570	0.6
256.19077	3.9
260.11270	0.2
261.13385	1.7
268.19101	2.6
270.20636	6.2
270.23474	0.4
272.18689	0.6
280.14240	0.3
284.18469	0.4
286.20135	6.6
286.23288	0.4
287.05460	0.4
296.18625	0.8
314.19635	5.6
332.20673	100.0
333.21045	2.7
368.28006	0.6
412.26950	1.6
430.28018	29.1
431.28455	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	430.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57538	0.3
53.03936	0.5
54.50473	0.2
55.01869	0.7
55.05515	4.1
56.05030	0.6
56.96574	0.3
57.03430	0.6
57.07066	0.2
59.15414	0.2
62.06097	1.2
67.05170	0.4
67.05502	5.1
69.03429	1.2
69.07071	1.9
69.39471	2.5
70.06586	1.6
71.04994	0.7
71.07380	0.5
71.08631	4.3
72.08150	2.9
73.02917	0.3
79.05054	0.4
79.05492	6.0
81.03403	0.6
81.05776	0.4
81.07053	5.9
82.06564	0.3
83.07368	0.4
83.08604	1.3
84.04506	0.6
84.08135	1.7
85.02897	0.9
85.06545	0.4
86.06065	15.4
86.09689	0.3
87.04457	0.8
91.05466	2.5
93.07034	4.6
94.06573	0.4
95.04968	0.9
95.07330	0.2
95.08606	4.3
96.08133	3.7
97.02892	0.3
97.06528	0.8
97.10166	1.5
98.06048	1.8
98.09688	8.3
98.97617	0.3
99.04454	0.7
99.08082	1.9
100.07577	0.3
105.07021	1.4
107.04941	1.2
107.08595	5.4
108.08116	3.2
109.06519	0.9
109.10162	2.3
110.09671	0.7
111.08074	2.5
112.07626	0.6
114.09161	1.0
116.10728	49.0
117.06995	1.8
117.11075	0.5
119.08578	1.2
121.06481	0.5
121.08871	0.3
121.10112	0.9
122.09673	2.2
124.07594	1.7
125.09635	2.2
125.73293	0.3
126.09138	0.7
127.03971	0.3
131.08589	0.7
133.10121	0.6
135.08054	4.1
135.11670	0.3
136.11176	0.7
138.09100	0.4
140.10696	0.9
142.08646	1.8
142.12276	1.3
143.08438	0.3
143.10667	9.6
145.06555	0.3
145.10126	0.7
147.11646	0.3
149.13266	0.3
151.07584	0.7
152.07875	0.4
152.10703	0.7
153.09105	2.2
154.12234	0.3
154.15948	0.6
159.11763	0.3
163.07556	0.6
166.15915	0.5
171.10167	0.3
173.09669	0.3
177.09094	0.3
181.08658	0.4
185.11760	0.5
191.10599	0.3
192.10909	0.4
196.16953	2.1
199.13274	0.6
208.17009	0.5
210.18506	0.9
214.18010	18.8
215.10825	0.3
215.12881	0.4
215.18314	0.3
220.16960	0.8
222.18581	0.5
226.18030	0.3
233.19983	0.3
234.18602	0.5
238.18007	2.3
238.93262	0.2
240.19556	0.3
250.17996	1.2
252.19591	1.5
255.06482	0.4
256.08951	0.2
256.19046	3.7
261.13275	2.2
268.19107	2.6
270.20645	7.2
271.13843	0.4
272.18597	1.2
280.14395	0.8
286.20135	7.3
287.05527	0.3
287.20358	0.3
296.18619	0.7
314.19632	5.4
332.20657	100.0
333.21082	2.1
368.27634	0.5
412.26791	2.1
430.28027	29.2
431.28378	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.4
55.01850	0.8
55.05511	3.1
56.96560	0.7
57.03409	1.2
61.02880	0.6
62.06057	1.2
66.20329	0.3
67.05511	4.5
69.03418	1.2
69.07063	2.3
70.06567	1.3
70.09273	1.2
70.09686	1.0
71.04964	0.4
71.07375	0.4
71.08638	3.3
72.08154	2.7
79.05496	6.1
81.03404	1.1
81.07069	5.0
83.08608	1.4
84.04475	0.4
84.08110	1.2
85.02885	1.1
86.06067	12.5
87.04421	0.9
91.03966	0.4
91.05470	3.3
93.07039	4.6
94.06525	0.4
95.04931	1.0
95.08598	3.5
96.07670	0.4
96.08137	4.3
97.02877	0.8
97.06506	1.3
97.10152	1.2
98.06053	1.4
98.09692	5.7
98.21464	0.5
99.04451	0.4
99.08067	1.2
105.07008	1.8
107.04961	1.2
107.08591	5.6
108.08138	2.2
109.06492	1.1
109.10168	1.9
110.09657	0.5
111.08054	1.7
113.08389	0.4
114.09164	1.0
114.36866	0.4
116.10730	40.0
117.07000	1.4
119.08587	3.0
121.06534	0.5
121.08871	0.6
121.10094	0.8
122.09663	1.9
123.07997	0.5
124.07564	0.8
125.09612	2.4
126.09169	0.8
131.08493	0.4
135.08060	3.9
135.67285	0.4
136.11176	0.7
138.09149	0.4
139.09924	0.4
140.10675	0.6
142.08626	1.3
142.12247	2.5
143.08562	0.6
143.10657	5.0
145.10107	1.0
147.10493	0.7
147.11681	14.7
148.12054	0.6
149.09601	0.4
153.09116	1.2
153.88853	0.4
156.56963	0.4
157.10129	0.7
163.07538	0.6
181.08600	0.5
192.70738	0.4
193.12245	0.5
196.16910	1.7
208.16856	0.6
210.18550	1.1
211.13210	0.9
214.18022	9.4
220.16927	0.9
221.01147	0.5
222.18507	0.4
226.18158	0.6
234.18578	0.7
238.17955	1.8
249.00722	0.4
250.17940	0.9
251.11533	0.6
252.19533	1.2
256.19043	3.6
257.31458	0.4
261.13367	1.2
268.19080	1.8
269.12296	3.1
270.12668	0.8
270.20572	5.2
271.06030	2.9
272.06378	5.7
272.18701	0.5
273.06598	0.6
286.20160	6.3
286.45239	0.5
309.02740	1.0
311.12698	1.0
314.19611	5.2
332.20663	100.0
333.21021	3.1
360.08820	0.4
363.86966	0.4
410.03946	0.5
412.26874	2.8
430.08505	1.7
430.19406	0.8
430.27979	18.3
431.28329	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.3
55.05498	3.2
56.96569	1.1
62.06078	1.7
67.05508	4.1
69.03423	1.6
69.07076	1.9
70.06578	2.1
70.85515	2.2
71.07377	1.0
71.08627	8.4
72.08154	2.8
79.05495	6.9
81.03423	1.5
81.07064	5.7
81.29041	0.8
83.08640	1.6
84.04478	0.8
84.08134	2.3
85.02896	1.3
86.06063	11.4
87.04497	1.2
91.05472	1.8
93.07070	4.6
95.04958	1.1
95.08596	2.9
96.08162	4.0
97.06520	1.7
97.10155	1.5
98.06053	2.0
98.09681	6.1
99.04417	1.1
99.08100	2.3
105.07040	1.9
107.04970	1.1
107.08587	4.6
108.08121	3.8
108.33206	1.0
109.06495	1.2
109.10165	2.5
111.08061	1.2
112.11230	1.0
114.09142	0.9
116.10725	49.3
117.07030	1.9
119.08578	1.7
121.10120	0.9
122.09663	2.8
124.07611	1.0
125.09623	2.6
126.09151	1.1
133.12561	0.9
135.08049	4.7
136.11205	1.2
138.09157	1.4
143.10666	6.4
145.06488	0.9
147.11635	3.9
153.09082	2.1
154.15878	1.8
159.63498	0.9
166.15947	2.2
167.08568	0.9
178.15892	1.8
188.93597	1.0
196.16939	7.7
198.14841	1.2
214.18013	100.0
215.18425	1.9
238.18059	1.7
256.18982	2.3
261.13400	1.7
268.19052	2.5
269.12198	1.0
270.20569	4.8
286.20126	5.6
314.19586	3.6
332.20648	79.9
333.20676	1.7
352.53168	1.0
412.26984	4.2
430.19232	1.0
430.27951	23.0
431.28806	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	430.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05511	4.0
56.05031	0.4
56.96558	0.6
57.03429	0.7
59.05029	0.3
61.02939	0.3
62.06086	1.2
62.06779	0.3
65.03914	0.3
67.05503	3.9
69.03425	1.0
69.07072	1.8
70.06593	1.1
71.04991	0.3
71.07372	0.5
71.08633	2.7
71.60897	0.6
72.08156	2.8
73.02905	0.4
79.05492	5.9
81.03413	0.9
81.07064	4.7
83.08620	1.4
84.04494	0.4
84.08138	1.4
85.02902	1.9
86.06069	12.1
87.04453	0.6
87.26107	0.3
91.05471	2.5
93.07047	3.9
95.04960	0.8
95.08611	3.3
96.08132	3.4
97.02908	0.5
97.06523	1.1
97.10157	0.9
98.06058	1.1
98.09694	6.4
98.97610	0.4
99.04428	0.4
99.08095	1.1
102.79398	0.3
105.07058	1.6
107.04978	1.0
107.08594	4.8
108.08124	3.4
108.08887	0.4
109.06513	1.0
109.10133	2.0
110.09692	0.8
110.10423	0.3
111.08092	1.7
112.07643	0.4
114.09155	0.9
115.05413	0.3
116.10735	43.7
117.07043	1.7
117.10970	0.4
119.08615	1.8
119.09325	0.3
121.06514	0.8
121.08886	0.5
121.10164	0.6
122.09658	2.1
123.08045	0.4
124.07567	1.0
125.09618	2.4
126.09155	0.7
131.08522	0.8
133.10132	0.8
134.09615	0.5
134.99638	0.4
135.08043	3.8
135.10544	0.4
135.11615	0.4
136.11249	0.5
138.09187	0.7
140.10728	0.7
142.08630	1.2
142.12259	2.6
143.10674	5.6
145.06528	0.3
145.10109	0.7
147.11690	9.2
148.12125	0.3
152.10716	0.9
153.09122	1.3
163.07547	0.6
166.15993	0.3
168.64270	0.3
171.10196	0.5
181.08537	0.5
196.16985	1.2
198.14864	0.5
199.13338	0.7
208.17015	0.7
210.18562	1.2
211.13275	0.4
214.18021	10.0
215.12836	0.6
220.17015	0.8
221.01224	0.8
222.18535	0.7
226.17860	0.4
238.18010	2.8
239.02286	0.4
249.00626	0.5
250.18053	1.0
252.19644	1.7
255.01563	0.4
256.19107	4.0
260.15094	0.3
261.13220	1.5
267.01825	0.7
268.19061	2.1
269.12332	2.2
270.12561	0.4
270.20639	5.2
271.06067	1.6
272.06296	3.8
272.18570	0.8
284.18454	0.4
286.20132	6.6
296.18494	0.5
309.02762	0.7
314.19632	4.7
332.20673	100.0
333.20959	1.7
368.28055	0.5
412.26755	3.1
430.08649	0.7
430.28030	19.0
442.35986	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	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03902	0.9
55.01831	0.7
55.05459	3.5
56.04978	1.7
56.96527	0.8
57.03396	0.9
57.07047	0.6
64.85281	0.5
65.03885	1.8
67.05505	13.6
67.05830	0.9
68.04966	1.7
68.05305	0.6
69.03374	1.5
69.07074	4.1
69.36433	5.3
70.06586	6.1
70.62290	0.5
71.04949	0.9
72.08108	0.6
73.02867	1.0
79.05492	3.8
80.05009	3.2
81.03355	2.2
81.07061	7.1
81.39957	0.5
82.06525	2.3
83.04923	1.4
83.08548	2.0
84.08098	1.5
85.02843	2.2
85.06461	0.7
85.69056	0.5
86.06004	2.4
86.09656	1.7
86.45131	0.5
88.80785	0.5
91.05418	2.3
93.07041	4.1
94.06572	4.3
95.04916	1.9
95.08603	7.6
96.08136	3.0
97.02883	1.1
97.06464	1.4
97.14788	0.6
98.09637	1.1
98.20764	0.9
99.04427	0.7
105.07009	2.9
106.06492	1.7
107.04903	0.7
107.07302	1.1
107.08534	2.2
108.08124	2.5
108.08733	0.6
109.06467	0.8
109.10096	2.0
110.09640	1.0
112.07599	3.7
113.05934	0.6
116.10741	4.1
116.98583	1.0
119.08521	2.2
120.08044	2.1
120.08804	0.7
121.06403	0.6
121.10094	1.7
122.09605	0.9
123.08002	0.9
123.11687	0.6
124.07487	0.8
124.11195	0.9
126.09147	0.7
127.03838	0.8
131.08536	0.8
133.10089	1.1
134.09578	0.8
135.07999	0.6
135.11641	1.2
136.11098	0.9
137.09579	0.8
138.09070	0.9
142.08618	0.8
143.09375	1.0
145.10068	1.0
147.11588	0.6
156.10176	2.2
157.09901	0.6
161.13217	0.8
163.11113	1.5
164.11554	0.9
178.15834	0.9
208.20589	0.7
211.13254	1.6
212.13638	1.3
212.16393	0.8
213.05370	0.6
220.20572	0.7
224.20094	1.6
225.14803	0.9
229.15562	0.8
232.20564	1.8
233.11783	0.6
234.22145	1.5
236.20114	2.5
236.23709	2.0
240.39528	0.5
244.20653	1.1
246.22206	1.3
248.20061	2.1
250.21648	3.8
252.23230	3.8
255.06512	1.3
262.21710	7.9
264.23260	9.9
268.16385	0.7
280.22702	18.6
281.23114	0.7
282.24280	57.2
283.24649	2.0
290.21115	0.9
298.23770	100.0
299.24118	2.9
308.22177	1.5
316.21204	7.3
326.23291	6.1
344.24423	2.8
368.24939	1.3
386.25394	14.8
386.30322	0.8
430.24442	84.3
431.13126	0.8
431.19138	0.7
431.24481	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	430.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01872	8.2
55.05502	6.7
56.05022	5.5
56.96552	2.0
57.03433	17.1
57.07071	13.9
58.06588	5.4
59.04985	2.2
60.04524	1.6
61.02924	13.9
63.04488	21.3
65.03918	3.1
65.37047	1.7
67.05504	6.2
67.21706	1.4
69.03426	40.2
69.07047	2.3
70.06588	4.3
71.01352	3.7
71.04666	1.5
71.04992	12.7
72.08125	2.6
73.02917	71.4
74.06088	2.0
79.05482	4.1
81.03412	11.0
81.07072	7.4
82.06573	3.5
83.04979	4.1
83.08602	3.3
84.04504	1.7
84.08137	3.4
85.02905	85.2
85.06543	2.1
86.06058	1.7
86.09695	6.2
87.04461	5.0
91.03957	3.5
91.05485	26.9
92.05814	3.0
93.07049	10.0
94.06537	3.1
95.04964	49.0
95.08595	6.7
96.08129	6.8
97.02891	63.2
97.06533	4.3
98.06062	4.1
98.09684	5.6
98.97586	4.0
99.04446	18.9
103.03927	4.3
105.07021	12.2
107.08594	13.3
108.08109	5.7
109.02872	7.2
109.06511	10.8
109.10161	7.2
110.06035	6.0
111.04449	3.6
111.08051	2.2
113.02357	1.9
115.03928	26.8
117.07027	1.5
119.08576	9.4
119.10691	100.0
121.02871	1.5
121.10128	11.0
122.09676	2.9
123.04418	1.5
123.08051	10.0
123.11710	3.0
124.07620	2.1
124.11214	3.2
125.06001	1.6
125.09634	3.4
126.05516	3.7
126.09204	1.8
127.03921	28.1
129.05498	2.0
129.06956	1.6
131.08578	6.6
133.04958	35.4
133.10123	14.6
134.09634	2.1
135.08075	4.0
135.11650	4.8
136.11226	2.9
137.09673	2.1
138.09090	1.9
139.03885	1.7
145.04955	35.7
145.10143	7.4
146.09569	2.5
147.11711	8.5
148.11200	2.4
149.01245	1.7
149.09636	11.2
150.07588	2.1
151.07553	3.7
152.14323	3.2
153.09109	6.2
158.08112	1.7
159.10397	1.5
159.11621	2.1
161.11784	1.4
161.13199	2.3
162.12782	1.9
163.06035	14.1
163.11205	5.5
165.09132	2.3
165.12738	2.0
167.10660	1.6
170.11795	1.6
171.11734	2.5
173.13226	8.4
174.12778	4.8
175.11157	4.0
186.07683	3.7
189.12729	4.6
190.15927	3.7
191.14314	6.5
192.13774	3.0
193.05000	2.0
204.08705	15.7
206.15427	2.6
207.13850	5.9
209.15295	2.9
215.12755	3.8
223.06033	8.4
224.16379	3.0
231.83807	1.6
232.16977	13.0
232.27281	1.6
233.15393	4.6
235.41426	1.6
237.02766	1.9
241.07083	9.1
250.18036	33.7
251.14919	5.6
259.08121	11.8
268.19070	22.4
277.09207	2.9
280.22781	1.7
281.10574	1.6
281.16031	4.5
295.10162	7.2
298.23697	2.4
325.03552	1.7
326.23767	1.5
327.07599	4.7
340.64029	1.7
412.23303	13.3
430.24698	56.6
431.18719	2.6
431.25168	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	430.2283
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.9
55.01878	11.6
55.05496	2.7
56.05031	3.6
57.03440	22.1
57.07077	16.2
58.06591	3.8
59.04991	3.0
60.04497	1.3
61.02632	1.6
61.02928	16.5
63.04203	1.6
63.04492	23.5
65.03919	2.4
67.05491	4.6
69.03429	43.6
69.07059	2.4
70.06577	4.7
71.01337	3.9
71.04994	14.7
71.59152	1.6
72.08144	3.3
73.02917	87.1
74.03241	1.4
74.06079	3.1
79.05477	4.0
81.03426	10.1
81.07050	6.6
81.13898	1.1
82.06586	2.1
83.04962	3.2
83.08599	2.7
84.04497	1.8
84.08138	5.2
85.02905	100.0
86.03258	1.6
86.06069	3.2
86.09703	7.1
87.04460	6.4
87.04898	1.1
87.62083	1.2
91.03946	4.5
91.05481	27.3
93.07053	6.4
94.06533	2.0
95.04967	45.9
95.08585	5.1
96.08124	5.5
97.02892	68.4
98.06042	2.5
98.09671	4.3
98.97585	2.3
99.04459	15.1
103.03939	2.7
105.07031	11.6
107.08587	11.3
108.08109	4.9
109.02874	10.5
109.06544	8.4
109.10140	7.3
110.06049	3.7
110.09666	1.5
111.04414	1.7
112.07612	1.8
113.05974	1.8
114.05507	2.7
115.03927	29.5
116.31383	1.4
116.32195	1.2
116.65952	1.3
116.98624	1.4
117.07051	1.3
119.08586	9.9
119.10693	95.9
120.11034	1.5
121.10152	10.8
122.06030	1.8
122.09659	3.7
123.04464	2.1
123.08071	8.2
123.11729	2.7
124.11179	1.5
125.09641	2.2
126.05507	2.9
126.09187	1.7
127.02975	1.8
127.03922	32.7
128.98587	1.4
129.05443	3.0
131.08569	6.1
133.04970	36.7
133.09352	1.3
133.10141	12.4
134.09601	2.2
135.08017	3.4
135.11681	3.6
137.09575	2.1
139.03917	2.0
143.08574	2.1
144.06485	1.3
145.04971	35.2
145.10106	5.2
147.11639	8.4
148.11183	3.1
149.09621	10.0
150.07635	1.6
151.11159	1.3
152.10681	2.1
152.14275	1.8
153.09094	6.8
157.04909	1.8
157.10178	1.7
158.08165	1.5
159.11662	1.9
161.13327	1.4
162.12683	1.7
163.06035	15.6
163.11159	4.3
165.09109	2.0
165.12794	1.5
171.11681	2.4
173.13287	6.7
174.12830	4.0
175.11176	3.3
176.14497	1.3
180.13882	2.5
186.07588	3.3
187.05939	2.0
189.12694	4.5
190.15860	2.3
191.14310	3.9
192.13824	2.8
193.05006	1.7
193.12160	2.2
194.11823	1.3
199.06056	2.4
204.08687	13.9
206.15405	2.2
207.13748	3.5
208.16974	1.6
209.15326	1.8
214.15764	2.1
215.12700	3.0
217.06992	2.0
219.01804	1.5
223.05975	5.4
232.16939	8.9
233.15355	2.6
237.02748	3.0
241.07036	6.5
250.18018	29.1
251.14784	6.4
259.08197	12.5
264.23160	1.8
268.19095	19.3
277.09167	3.0
280.22607	3.0
281.10507	2.4
281.15872	3.3
295.10208	4.9
298.23688	2.9
299.11652	1.5
326.23056	1.5
327.07578	4.6
357.13794	3.8
386.14966	1.3
386.21112	1.4
407.11536	1.6
412.23401	15.0
430.15646	2.3
430.24747	52.7
431.18658	3.5
431.24811	3.1
443.15524	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	429.3728
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05501	2.8
57.06826	1.2
57.07078	15.6
59.12267	0.8
61.24749	0.8
61.71893	0.8
67.05499	5.1
69.07046	3.2
69.38492	9.7
71.08627	12.3
73.26855	0.9
80.84611	0.8
81.07066	7.4
83.08600	2.9
85.10200	5.3
91.05482	1.9
91.46716	0.9
93.07024	1.8
95.08615	6.2
97.10177	2.6
99.11729	1.5
105.07028	2.6
107.08616	5.3
109.10162	6.5
111.11707	1.4
119.08581	3.4
120.95208	1.1
121.10133	2.7
122.07320	1.1
123.08067	1.5
123.11752	1.1
131.08630	1.9
133.10075	1.1
135.08066	3.7
135.11665	2.3
137.09619	6.9
139.07581	1.8
144.61357	0.9
145.10132	1.8
149.09624	12.4
151.07489	1.3
159.11723	2.5
163.11180	19.9
165.09114	100.0
166.09483	2.9
173.09598	1.8
173.13290	2.1
175.11197	7.7
176.08298	2.3
177.09094	12.0
177.12698	2.9
179.10669	1.8
187.11185	3.1
189.12776	1.6
191.10680	9.9
201.12677	3.2
203.10695	1.3
203.14319	1.0
205.12207	9.1
215.14235	1.8
219.13826	3.8
233.15498	2.4
240.83568	1.0
261.18414	1.4
276.04889	0.9
289.21555	1.0
303.23239	1.4
331.26404	1.8
343.17538	1.0
401.34009	2.4
411.36316	2.3
429.37268	59.1
430.37866	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	429.3362
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57098	0.3
51.52446	0.3
51.96487	0.3
53.03939	0.5
55.01882	0.6
55.05503	2.6
56.96560	0.9
57.03434	0.8
57.07070	0.7
61.02622	0.3
61.02919	1.3
67.05502	5.3
69.03412	2.0
69.07074	2.7
69.47007	2.0
69.47427	1.0
70.06581	0.3
71.04989	0.7
71.08609	0.3
73.02912	0.3
74.92747	0.3
79.05482	2.7
81.03423	2.3
81.07050	9.6
83.01374	0.6
83.04964	1.0
83.08606	1.4
85.02892	1.5
85.06533	0.8
85.19907	0.3
91.03963	0.7
91.05428	2.0
93.07043	3.1
95.04971	1.5
95.08599	11.9
96.03607	0.3
97.02889	1.4
97.06559	0.4
97.10171	0.8
98.20735	0.4
99.04437	0.7
105.07021	3.7
107.04950	0.7
107.08586	2.1
108.05737	0.6
109.06533	0.8
109.10146	4.5
111.04445	3.0
111.08098	0.8
111.11727	0.6
116.98611	0.5
117.07003	0.8
119.08597	2.0
121.06493	1.0
121.10127	2.1
123.08063	10.0
123.11706	2.4
125.09628	0.4
130.07770	0.4
131.08563	2.3
133.10133	1.2
135.04436	0.4
135.08031	4.4
135.11690	1.2
137.06004	0.7
137.13239	1.1
139.03914	0.4
143.08611	0.3
145.10121	3.2
146.10507	0.4
147.08075	0.3
147.11674	4.9
149.09601	2.6
149.13229	1.4
151.07533	100.0
151.14876	0.5
152.07903	1.7
155.08513	0.4
157.10164	0.9
159.08005	2.0
159.11679	1.3
161.06009	0.5
161.09618	1.0
161.13226	0.6
162.06755	1.2
163.07556	0.6
163.11185	4.1
163.14818	0.5
165.09114	3.0
165.12553	0.3
170.12830	0.3
170.47107	0.3
171.11670	0.3
172.08856	0.4
173.09607	2.4
175.07550	0.5
175.11197	1.3
176.08322	3.2
177.09100	23.6
177.12630	0.8
177.16304	0.4
178.09462	0.5
179.10643	0.4
187.11206	1.1
189.09087	0.8
189.12767	1.2
190.09894	1.2
191.10660	44.4
192.10979	1.0
193.12187	0.7
193.89409	0.3
203.10675	1.0
203.14265	0.3
205.12231	24.7
206.12575	0.4
211.13304	1.3
214.17995	0.3
215.18304	0.6
217.12369	0.6
219.13753	2.4
233.15302	0.4
247.24602	0.4
249.14932	0.4
258.05212	4.8
259.05725	0.4
267.09082	1.4
269.12381	0.8
273.25696	0.4
285.09973	2.6
286.04715	9.3
286.10074	0.5
287.05392	3.4
291.26990	0.5
324.11322	1.6
342.66782	0.3
359.03040	0.4
359.42133	0.3
411.33044	1.4
429.06439	0.5
429.11868	7.3
429.18033	0.8
429.20392	1.0
429.33832	6.7
430.12128	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	429.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31588	1.0
55.05505	3.3
57.03434	6.8
57.07071	1.1
67.05505	10.1
69.03423	1.7
69.07067	3.0
71.05015	1.0
79.05488	9.9
81.03411	3.9
81.07063	11.2
83.08602	1.9
91.05480	4.2
93.07043	12.4
95.04975	1.8
95.08611	7.9
97.02863	2.2
105.07041	4.3
107.08596	8.2
109.10184	5.3
113.00021	100.0
117.07045	1.3
119.08601	4.8
121.10147	6.9
123.11723	2.4
130.19641	1.0
131.01079	1.5
131.08580	4.5
133.10139	2.0
135.11685	6.1
136.00124	1.0
142.06609	1.0
145.10164	3.2
147.11685	3.6
149.09607	1.3
149.13271	4.5
155.00943	1.0
159.11720	3.0
161.13278	1.4
163.14818	3.7
165.09119	1.0
165.12698	1.1
169.02621	95.6
173.13275	2.8
177.16370	1.3
187.14819	2.3
191.14334	1.2
193.12282	2.7
211.13348	3.8
212.24602	1.2
233.22748	1.2
243.21097	9.0
244.59822	1.0
244.62863	1.3
244.65738	1.0
261.22153	24.1
275.23590	1.4
358.49231	1.1
429.19714	1.6
429.24640	1.7
429.37640	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	429.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
55.01860	6.0
55.05511	12.0
55.40050	2.0
57.03426	9.2
59.04997	4.2
61.02927	10.0
67.05499	15.1
69.03420	17.5
69.07069	4.6
70.06583	7.7
71.01346	2.4
71.04980	7.5
71.60770	3.1
73.02907	6.1
79.05492	16.2
79.48545	1.9
81.03420	43.4
81.07068	19.9
83.04968	8.2
83.08617	6.6
85.02911	18.7
86.09698	5.3
87.04510	2.0
89.06033	5.3
91.03913	2.7
91.05450	16.8
93.07045	11.1
95.01291	2.1
95.04979	30.7
95.08604	5.7
97.02888	20.7
97.06505	3.9
97.10150	5.1
98.97559	3.7
99.04467	4.0
103.03947	4.1
103.07584	4.6
105.07030	46.7
107.04944	7.2
107.08563	6.8
109.02898	10.7
109.06503	6.5
109.10158	3.7
111.04453	4.4
111.08086	4.1
116.07117	3.1
117.07003	5.2
119.08585	12.1
121.06496	5.6
121.10121	9.4
123.04421	16.5
123.08060	2.9
125.09634	3.1
127.03912	8.5
129.06989	7.4
131.04878	2.3
131.08549	6.4
133.06456	4.2
133.08586	3.3
133.10110	7.4
134.99721	2.5
135.08054	4.4
135.11714	5.1
137.05992	4.5
137.09592	2.9
141.35060	2.3
143.08562	2.4
145.04907	3.2
145.10114	8.4
147.04364	2.2
147.08044	3.8
147.11667	7.8
149.05919	2.2
149.09607	5.8
155.08540	2.5
157.10077	6.4
159.11542	2.8
161.06007	5.4
163.11209	12.5
171.11787	2.7
175.11154	3.3
177.12784	2.9
181.12334	2.2
182.04991	3.4
189.12679	2.8
193.12250	14.9
205.12206	2.9
207.13776	4.5
211.13248	17.4
217.12175	2.5
231.13852	2.6
235.13303	27.4
237.02794	4.7
245.61455	2.1
249.14896	7.4
259.13260	5.2
267.12057	100.0
267.15607	10.9
268.12402	2.9
273.14832	8.1
277.14310	2.1
285.16907	3.7
287.05371	2.7
301.14365	5.3
309.16995	12.3
319.15436	2.8
351.17957	2.7
359.02667	2.4
375.17950	9.8
393.18906	7.8
411.20181	8.3
427.16653	3.6
429.17142	58.2
429.21371	37.2
430.17133	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	429.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	11.1
55.01859	10.0
55.05511	26.1
56.96566	4.6
57.03439	26.3
59.06132	3.3
61.02919	12.4
63.68279	2.4
67.05508	45.2
68.05015	3.4
69.03436	32.8
69.07057	13.1
70.06590	18.1
70.79198	3.0
70.99594	7.2
71.01346	4.2
71.04974	11.9
72.08128	4.4
73.02924	14.8
75.19394	3.0
79.05495	34.7
81.03415	94.4
81.07055	44.6
82.06572	5.5
83.04977	17.8
83.08634	20.9
84.08141	5.0
85.02898	39.3
85.06541	4.4
86.06058	6.0
86.09708	14.9
91.03931	8.3
91.05463	31.5
93.07036	30.2
94.06588	4.6
95.04964	52.6
95.08601	18.5
96.08122	4.3
97.02894	48.9
97.06538	7.9
97.10180	7.2
98.97614	3.8
99.04444	13.1
103.03934	12.6
105.07021	31.0
107.04928	16.1
107.08579	20.7
108.08097	4.6
109.02865	21.4
109.06507	10.4
109.10173	10.2
111.04443	9.1
111.08076	6.1
112.07640	5.3
113.06019	3.0
117.07038	12.9
119.04924	5.2
119.08573	27.8
120.08113	4.3
121.06495	10.8
121.10176	17.4
123.04429	29.1
123.08070	7.9
123.11724	4.9
125.09602	4.1
127.03903	22.6
129.05420	3.1
129.06998	16.2
131.04961	4.5
131.08571	17.2
133.06494	6.5
133.10106	11.8
135.08014	7.4
135.11716	7.4
137.05994	7.8
141.05426	3.5
142.07655	3.6
143.08592	4.8
145.05045	7.1
145.06447	6.6
145.10100	15.4
147.04399	5.6
147.08009	6.7
147.11667	24.6
149.05972	3.2
149.09602	9.3
153.09171	3.6
157.10147	15.3
159.08037	3.8
161.06017	3.7
161.09625	4.7
161.13316	4.3
163.11183	35.5
165.12816	8.8
171.11719	5.2
173.04401	3.0
173.05943	3.9
173.09666	5.9
175.11208	14.0
187.11130	3.2
189.05515	3.3
189.12740	7.0
191.10663	6.3
193.12262	43.3
198.14854	4.5
207.13847	10.5
211.13286	47.0
212.16461	6.7
213.16794	5.6
217.12300	5.0
219.13930	3.0
223.13306	3.7
231.13542	3.1
232.20508	3.8
235.13313	31.8
236.19917	4.1
236.23761	4.4
245.06297	5.3
248.20197	3.8
249.14833	9.2
250.21704	3.8
259.13358	7.1
260.14877	7.4
261.15216	11.3
262.21707	8.0
264.23245	12.7
267.15952	29.5
271.06055	5.0
273.14847	16.2
277.14285	3.9
280.22781	21.4
282.24240	48.5
285.17007	13.2
289.14429	4.2
298.23755	100.0
301.14362	19.5
308.22076	4.0
309.17004	22.1
313.16528	3.9
319.15582	7.1
326.23206	8.3
345.17035	3.5
348.99680	3.3
351.18127	8.2
367.24634	26.9
375.18039	16.1
386.25259	17.7
393.19147	12.5
411.19962	12.9
429.15875	5.8
429.20633	97.8
429.25595	23.2
430.24445	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	429.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31747	3.5
52.07983	3.4
53.03954	12.8
55.01876	10.9
55.05510	10.8
57.03436	10.7
67.05499	15.5
69.03436	29.3
69.07063	7.0
70.81364	9.0
71.04991	29.5
79.05506	11.2
81.03421	77.4
81.07058	19.1
83.04980	20.0
83.08616	19.9
85.02917	21.0
91.05472	18.5
93.07059	15.2
95.04973	16.7
95.08620	12.3
97.02888	50.0
97.06503	24.6
97.10165	6.9
105.07042	17.1
107.08623	6.9
109.02901	10.5
109.10216	7.0
111.04468	9.0
111.08099	14.2
119.08591	16.9
121.10160	7.2
127.03939	12.1
129.05524	8.3
129.07008	10.2
131.08566	5.1
133.10150	8.4
139.04280	9.1
142.07742	5.0
145.10159	6.5
147.11694	14.5
157.10112	12.3
157.72940	4.5
165.09145	5.5
175.11194	11.3
181.12344	4.5
189.16447	4.8
191.18013	6.0
193.12262	43.1
211.13290	100.0
227.12843	5.3
249.14920	7.2
266.37607	4.0
267.16159	4.6
285.17029	6.0
355.17151	5.7
366.00531	5.3
369.31570	6.3
429.21298	97.9
429.26181	8.1
429.31763	92.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2121
Annotation	Cichorioside N
Peak:m/z	Relative Intensity
53.03937	5.4
55.01857	4.6
55.05510	12.3
57.03439	14.3
61.02932	13.8
67.05508	20.6
69.03434	13.8
69.07050	6.7
70.06597	8.7
71.01348	3.4
71.04987	4.9
71.31570	1.3
71.60280	2.9
72.08134	4.0
72.88689	1.5
73.02919	8.9
75.32768	1.5
77.03900	1.6
79.05499	21.2
81.03421	46.8
81.07056	21.0
83.04992	8.3
83.08619	10.4
84.08115	1.4
85.02911	23.5
85.06534	2.1
85.65825	1.5
86.06045	5.1
86.09705	22.1
91.03954	6.9
91.05457	18.5
93.07045	18.3
95.04974	46.9
95.08599	9.7
97.02896	26.1
97.06519	3.6
97.10150	5.4
98.06048	2.4
99.04445	6.5
101.02370	1.6
103.03938	6.4
103.05501	2.0
105.07040	19.0
107.04972	8.4
107.08619	13.4
109.02883	9.7
109.06499	6.2
109.10132	4.7
111.04430	5.1
111.08043	3.8
115.05394	3.0
116.07091	4.4
117.07000	6.3
119.04910	4.5
119.08560	12.9
121.02867	2.0
121.06530	8.2
121.10142	9.2
123.04433	28.0
123.08090	2.6
123.11696	2.2
125.09627	4.8
127.03905	9.1
128.06284	2.0
129.05461	2.2
129.06998	6.9
130.07774	1.5
131.04909	3.1
131.08580	10.5
133.06482	4.2
133.10133	9.3
135.04431	2.4
135.08022	5.6
135.11667	6.0
137.05980	2.4
137.09677	1.9
139.03896	2.1
142.07736	2.1
143.08539	4.3
145.04944	3.7
145.06480	2.1
145.10153	9.8
147.04384	6.0
147.08009	5.6
147.11670	8.4
149.05957	3.5
149.09599	5.6
153.09091	2.5
157.10127	6.7
159.11710	2.4
160.70784	1.7
161.05939	2.0
161.09566	3.5
163.11203	30.1
165.09119	2.4
165.12767	3.2
167.06949	1.7
171.11745	3.3
173.09570	4.3
173.12918	2.5
175.11168	6.4
177.12749	1.6
183.11366	1.5
185.13521	2.0
187.11198	2.0
189.05470	3.0
189.11240	1.6
189.12672	6.9
191.10617	4.8
193.12276	16.2
197.13426	1.7
198.14868	4.0
199.15135	4.2
201.12430	2.6
203.10648	1.6
205.12201	3.8
207.13759	5.8
211.13298	14.3
212.16415	8.7
213.16800	9.9
214.14346	3.0
215.14543	2.1
217.12198	5.9
223.13197	4.7
229.12411	2.0
231.13860	1.9
231.97084	1.5
235.13319	41.8
247.13333	1.8
249.14844	6.7
253.14357	3.6
255.13654	2.0
259.13303	8.2
260.14923	11.0
261.15228	12.6
267.15903	18.9
271.06030	30.1
272.06403	2.5
273.14832	12.0
277.14383	2.6
283.13235	2.6
285.17035	3.0
289.14325	3.5
296.19592	3.1
301.14383	13.2
302.14563	1.5
309.16986	24.8
319.15448	6.3
330.55463	2.0
333.16940	3.6
337.16257	3.0
351.17923	3.6
355.17218	2.9
357.17047	2.4
363.18002	3.0
367.24420	4.4
375.17996	12.9
383.23749	2.3
393.19055	10.7
411.19318	9.1
411.24722	2.0
429.08072	3.8
429.20874	100.0
429.25992	16.7
430.20969	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	429.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06588	0.3
57.67588	0.3
69.70937	1.8
70.06593	2.1
71.04993	0.3
72.08143	0.5
73.02911	0.4
81.07059	0.4
84.04527	0.3
84.08130	0.3
85.02898	1.5
86.09700	0.7
91.05817	0.5
95.04978	0.4
97.02879	0.4
98.20751	0.6
98.47218	0.3
105.07024	0.6
107.08557	0.5
110.06011	0.3
122.06041	0.5
203.05293	1.1
237.02827	0.4
248.44661	0.3
249.14694	0.6
265.19824	0.4
267.12122	0.4
411.19833	1.7
429.20984	100.0
430.21301	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	429.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03172	0.5
53.03945	4.4
55.01870	5.1
55.05494	1.7
57.03444	4.2
57.07064	0.6
61.02909	2.6
62.73221	0.6
67.05490	1.5
67.64326	0.6
68.99775	2.3
69.03430	19.3
69.07058	1.5
70.06580	0.9
70.31111	0.5
71.01360	1.0
71.04986	2.8
71.58406	1.0
73.02914	5.4
79.05508	3.5
81.03418	21.0
81.07062	4.7
81.98559	0.5
83.04967	2.6
85.02908	38.5
86.09699	1.1
87.00830	13.4
91.03954	1.3
91.05450	5.4
93.07054	8.9
95.04974	17.6
95.08564	1.1
97.02893	14.2
97.06535	1.5
98.42135	0.6
99.04453	8.0
103.03931	1.7
104.10791	0.9
105.01868	12.8
105.07045	7.8
107.08593	11.4
109.02888	19.9
109.06538	3.2
111.08073	0.8
115.03889	0.7
117.01858	2.5
117.07008	3.5
119.08581	4.5
121.06500	4.3
121.10142	9.2
123.08055	1.5
125.05949	1.3
127.03922	37.4
128.04259	0.5
129.01840	3.1
129.07005	0.7
130.07776	2.6
131.08530	0.6
133.06505	1.4
133.10147	1.2
135.08041	0.7
135.11684	5.2
137.06004	1.0
143.08589	1.0
145.04961	15.5
145.09027	1.0
145.10130	11.9
147.02887	2.1
147.08046	2.5
147.11716	0.7
149.05974	0.8
151.07527	0.7
157.10077	0.9
159.02885	12.7
159.11716	0.8
161.09642	2.0
163.11182	100.0
164.11513	2.0
165.09114	1.7
165.12732	1.0
167.06999	4.0
175.11185	2.3
177.03940	0.9
177.12778	0.8
181.12239	5.9
181.91690	0.6
183.10156	0.9
184.07436	0.8
187.11040	0.8
189.03947	2.6
189.12723	1.0
190.74583	0.6
193.12213	1.0
205.12276	4.2
213.03941	1.7
221.11823	0.6
223.13271	8.5
231.05023	8.6
249.14680	0.7
257.72327	0.7
267.15952	1.1
271.13348	1.5
283.64227	0.6
289.14310	1.1
375.14508	1.2
393.15363	3.5
411.16589	1.8
429.20932	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	428.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.0
55.05498	1.1
56.96558	1.3
57.03437	1.5
67.05518	3.7
68.95000	0.8
69.03434	3.1
69.07063	1.8
69.38599	6.6
70.06595	2.8
71.05000	1.8
73.02919	1.2
75.63245	0.6
76.57630	0.6
78.75339	0.7
79.05490	2.7
81.03428	1.1
81.07072	4.5
81.52395	0.8
83.04999	0.8
83.08633	0.9
85.02911	5.9
85.06553	1.6
86.06071	100.0
86.09709	5.7
87.06444	0.8
91.05463	1.8
93.07053	3.2
95.04978	1.7
95.08594	2.4
96.08178	0.8
97.02889	3.3
97.06547	1.9
98.06072	0.9
105.07049	2.4
107.04967	1.0
107.08603	2.4
109.06505	1.4
109.10159	1.8
115.03984	0.9
116.07060	2.1
116.98644	0.8
119.08566	1.6
121.06535	0.8
121.10164	1.8
123.11681	1.0
127.03918	1.6
133.10144	1.5
135.08090	1.7
137.05989	1.6
137.09605	1.0
139.07602	0.9
142.12314	1.2
143.08612	1.3
145.04971	1.6
145.10139	1.7
154.31718	0.9
157.59280	0.7
159.11710	0.9
161.06039	1.7
163.06131	1.0
163.07628	1.1
163.11203	1.8
167.06995	0.8
173.09799	0.8
175.11293	0.9
184.36554	0.7
193.08647	1.4
228.86790	0.8
244.15512	0.9
246.35770	0.7
260.14966	4.7
267.16074	1.0
302.15961	6.3
355.15417	0.9
392.18964	3.4
408.12686	0.9
428.27039	1.5
428.33105	0.9
429.19601	2.1
444.95828	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	428.1763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16232	0.9
53.03949	5.6
55.01876	7.2
56.96557	1.4
57.03431	13.6
57.07077	12.8
59.04979	1.4
61.02928	5.9
67.05518	2.6
68.99796	2.6
69.03426	42.8
69.07033	1.5
69.85728	7.5
71.04989	8.9
71.95414	1.2
73.02918	8.2
81.03413	31.3
85.02901	100.0
85.06538	15.7
86.21108	1.3
87.00828	38.9
91.03945	2.3
95.04961	7.9
97.02283	2.2
97.02886	34.5
98.03156	1.5
99.04456	16.1
101.06020	4.2
103.03872	1.2
103.07578	94.6
105.01864	56.1
109.02116	2.0
109.02874	36.2
113.05994	5.8
115.03917	1.5
117.01821	3.2
127.03912	88.7
127.07541	17.2
129.01810	3.8
131.07060	6.4
145.04945	27.5
145.08597	10.4
147.02853	1.9
159.02882	17.0
163.09651	58.9
164.09958	1.2
173.08081	10.8
175.01576	1.1
175.28824	1.1
177.03983	1.4
180.03748	1.6
189.03937	2.6
213.03983	3.8
229.10693	3.4
231.04993	26.6
249.06033	6.0
253.10718	9.2
271.11880	1.7
289.12994	1.0
331.13879	6.6
357.11700	8.7
375.12735	11.2
393.13919	9.5
428.19748	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	428.213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	5.8
64.11633	2.4
69.03425	3.6
70.06572	2.8
71.01054	5.2
71.01394	2.5
71.04990	55.6
73.02900	2.8
81.23053	2.4
83.04980	8.2
85.02903	71.8
85.06543	100.0
91.05796	6.3
97.02913	4.6
103.07545	14.2
111.04427	3.2
116.98618	2.6
127.03918	2.7
129.05472	27.0
145.04935	4.0
147.06520	11.2
167.05566	3.4
167.63725	2.4
176.08992	2.4
228.04965	2.9
246.29443	2.8
428.19440	5.5
429.20401	3.2
440.60162	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	428.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05494	6.3
56.05017	1.2
56.82859	1.0
57.03432	5.4
57.90977	1.0
60.04521	1.0
61.02913	2.4
67.05499	11.5
69.03417	5.3
69.07056	8.8
70.06575	5.2
71.04973	3.1
71.59267	1.9
72.08131	2.5
73.02890	1.8
74.92144	0.9
79.05498	8.2
81.03418	11.5
81.07050	9.3
83.04975	2.1
83.08604	2.0
84.04520	1.1
84.08126	3.8
85.02905	7.3
85.06528	2.1
86.06059	13.4
86.09702	9.4
87.84425	1.1
91.03937	2.3
91.05473	7.8
93.07043	8.3
95.04971	8.7
95.08620	7.3
96.08144	5.3
97.02885	4.6
97.06490	1.6
97.10140	2.2
98.06045	5.2
98.09694	2.0
98.97599	1.1
99.04443	4.7
103.03913	2.6
105.07015	5.1
107.08598	6.6
108.08102	4.6
109.02863	2.3
109.06513	3.2
109.10125	2.4
110.07142	3.2
110.09666	3.5
111.04411	2.1
111.08055	2.5
112.07619	1.2
112.11195	1.7
114.09184	1.9
116.07108	1.2
116.10720	4.7
117.07031	2.6
119.08585	5.5
120.08069	2.2
121.06490	2.0
121.10172	1.7
122.09624	2.5
123.04409	4.3
123.08102	1.1
123.11763	2.1
124.07592	2.9
124.11229	2.6
127.03926	2.4
129.06970	1.5
129.26877	1.1
131.08522	2.2
133.06439	1.2
133.10149	2.4
134.09685	6.1
135.08031	4.7
135.11705	2.5
136.11215	2.0
138.09084	3.1
142.08641	12.4
145.04953	1.8
145.06474	1.3
145.10120	2.4
146.89458	1.2
147.08058	1.9
147.11674	2.2
149.09610	1.3
151.11200	2.3
152.10721	4.8
153.09163	1.8
154.12244	3.6
162.09123	1.6
163.11148	9.5
167.05635	1.3
167.07062	1.1
168.13739	1.1
169.12199	6.2
171.11752	1.3
173.09520	1.1
175.11156	1.4
182.15417	1.3
184.13329	12.2
189.12796	1.3
193.12238	2.8
194.15401	2.6
196.13321	9.0
198.14890	37.2
208.13336	1.7
209.78101	1.1
211.13309	2.8
212.16440	68.7
214.14380	17.5
228.15913	1.3
235.13187	5.2
238.08232	1.6
242.13777	2.0
244.15437	7.6
249.14812	1.4
255.14029	1.2
259.13327	1.5
260.14926	100.0
261.13092	1.8
261.15482	2.6
267.15982	3.0
271.05997	17.7
273.14850	1.8
301.14322	2.6
309.16849	3.9
314.19650	1.6
352.24872	1.7
367.21063	3.7
375.17746	1.6
382.25363	1.2
393.19119	2.2
410.25427	1.8
411.19913	1.3
428.20059	3.0
428.26450	72.6
429.08124	3.4
429.15811	1.6
429.20905	24.8
429.25439	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	427.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69769	0.6
55.01854	1.0
55.05510	5.1
57.07066	1.8
61.02924	1.2
67.05496	4.7
68.06736	0.6
69.03443	1.4
69.07071	5.9
71.04977	0.6
71.08614	1.4
71.59789	0.7
79.05483	3.9
81.03410	3.8
81.07055	11.5
83.01385	0.6
83.04964	1.9
83.08612	4.0
85.02902	1.6
91.05473	2.6
93.07055	4.6
95.04948	1.0
95.08604	8.0
97.02892	1.9
97.06541	0.9
97.10177	3.0
99.02083	0.6
99.04488	1.0
105.07008	2.1
107.04945	1.1
107.08582	3.1
109.02853	0.8
109.10170	6.7
111.11703	1.4
119.08546	3.6
121.06539	0.6
121.10150	2.3
122.07313	0.8
123.11674	2.1
125.09644	0.8
127.03905	0.8
129.05515	0.7
129.07028	0.7
131.08554	1.2
133.10114	1.7
135.08051	1.7
135.11668	1.0
137.09622	8.4
137.13272	2.1
139.11212	0.8
145.10156	1.8
149.09647	3.8
149.13239	1.6
151.07547	2.1
157.09969	0.7
159.07924	0.5
159.11729	0.6
161.09662	0.6
163.07574	1.7
163.11140	1.4
165.09113	100.0
166.09482	2.5
171.11763	0.8
173.09517	0.6
173.13177	0.6
175.07545	1.9
176.08316	0.7
177.09064	2.9
177.12802	1.0
179.10652	1.2
181.12170	0.7
187.11156	1.3
189.09122	2.2
190.09911	1.8
191.10709	2.8
197.06396	0.6
198.14961	0.8
203.10797	1.4
203.12743	1.3
205.12247	16.9
211.13297	1.3
212.16432	2.2
214.14357	0.7
217.12283	0.8
218.53137	0.6
219.13773	0.7
227.12637	0.8
237.57132	0.6
245.15483	0.7
260.14957	2.5
269.12350	2.0
275.27423	1.0
315.10938	0.9
316.12402	1.0
330.22757	0.8
390.40350	0.7
397.52286	0.6
427.19708	2.5
427.26367	1.0
427.35776	7.4
428.26492	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05522	1.2
56.05038	0.4
57.07085	0.8
57.26487	0.4
62.76412	0.4
67.05504	0.9
69.07069	6.7
70.23244	1.0
70.23651	1.5
72.26978	0.4
73.06577	1.7
74.00978	0.4
80.55009	0.4
81.07034	0.4
81.20219	0.4
83.04990	0.6
86.09705	100.0
87.10071	0.4
91.04388	0.4
93.07043	0.5
98.20870	0.4
105.10031	0.4
107.08590	0.5
112.07575	0.5
119.08557	0.8
121.10142	0.5
133.30360	0.4
147.11662	0.5
168.13831	1.5
186.14890	69.2
187.15155	1.1
203.12764	0.9
214.14378	28.4
215.14726	0.5
219.12593	0.4
279.47552	0.4
303.78735	0.5
314.19620	12.2
327.22928	0.5
399.28500	9.6
427.28070	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	427.3205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.5
55.01838	0.5
55.05514	2.6
55.38516	0.4
57.03434	0.5
57.07042	0.6
59.34442	0.3
61.90050	0.3
67.05504	4.7
69.03408	1.6
69.07064	3.5
71.04991	0.5
71.59689	0.3
71.60116	0.6
77.59724	0.3
79.05472	1.7
81.03400	1.4
81.06656	0.5
81.07057	6.7
82.07307	0.3
83.04970	1.4
83.08608	1.1
85.02905	0.5
85.06509	0.5
86.06051	0.5
91.05463	1.4
93.07047	3.4
95.04964	0.8
95.08602	8.5
97.02866	0.6
97.06509	1.4
97.10143	1.4
105.07024	2.7
107.04919	0.4
107.08595	2.8
108.05742	0.6
108.78195	0.3
109.06497	0.9
109.10162	4.0
111.04433	1.1
116.10739	0.9
117.07019	0.6
119.08571	1.6
121.06487	0.9
121.10131	2.0
123.08067	7.7
123.11710	2.3
125.09601	1.0
127.11169	0.5
131.08539	0.8
133.10107	2.5
135.08054	4.7
135.11708	0.6
137.06004	0.5
137.09570	0.7
137.13211	1.0
139.11162	1.9
143.08485	0.4
145.10117	1.6
147.07993	0.7
147.11644	1.2
149.09583	0.9
149.13246	1.0
151.07538	100.0
151.11020	2.8
152.07864	2.3
153.12790	0.5
154.60724	0.4
159.07971	0.4
159.11679	0.6
161.09598	0.6
163.07533	8.2
163.08800	0.6
163.11162	2.2
163.14796	0.6
165.09158	1.9
165.12764	1.6
171.11739	0.5
173.09592	1.7
175.07483	1.5
175.11195	0.7
175.14783	0.9
176.08366	0.9
177.09097	4.3
177.16351	0.8
187.11137	0.5
187.14862	0.6
189.09081	2.2
189.12865	0.5
190.09810	0.4
191.10664	36.6
192.11034	0.8
193.08675	0.5
193.12154	0.8
203.10687	1.6
203.12662	0.6
203.17915	0.6
205.12215	2.5
214.17957	0.7
215.10643	1.4
215.18497	0.5
229.12222	0.5
231.13606	0.5
243.13831	0.6
245.22615	0.7
260.14874	0.4
261.18475	1.2
271.16956	4.9
289.17941	6.0
328.21262	0.4
330.22693	1.4
409.30920	1.4
427.19891	2.3
427.27310	0.9
427.32111	22.6
428.32068	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	427.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.7
55.01874	8.7
55.05513	88.2
57.03185	1.8
57.03437	22.0
59.04998	2.5
64.92229	1.6
67.05176	2.3
67.05506	32.9
69.03426	13.7
69.07073	19.3
69.30810	14.8
69.31213	3.7
71.04971	6.3
75.63373	1.4
79.05492	58.0
81.03418	99.1
81.07062	48.4
83.04982	17.4
83.08149	3.8
83.08620	53.7
85.02428	2.5
85.02905	31.5
85.06540	2.4
89.54571	1.8
91.05483	33.9
93.06557	1.7
93.07052	20.1
95.04964	30.4
95.08608	11.1
97.02885	7.6
97.06503	7.2
97.10168	53.1
99.04430	2.0
99.08083	2.7
100.69122	1.5
101.09685	2.3
105.07027	28.3
105.12004	1.4
107.04944	4.5
107.08596	31.9
109.02815	1.8
109.06522	10.6
109.10137	6.4
111.04471	2.5
111.08086	16.0
112.87449	1.5
113.05964	4.9
115.05468	3.0
117.06995	1.8
119.04932	1.9
119.08593	22.0
121.10133	13.4
123.08060	3.0
123.11648	2.1
125.08747	3.3
125.09628	44.7
127.03865	1.5
129.07004	13.1
131.08540	11.9
133.06520	5.3
133.10129	11.8
135.11682	2.6
139.11192	2.1
142.07799	3.8
143.10684	11.4
145.10138	3.7
147.08046	5.1
147.11681	23.1
149.09641	8.5
151.07555	3.1
157.10114	18.0
165.09087	2.0
165.12750	5.6
167.07008	1.9
175.11200	18.2
191.10637	2.1
193.12236	94.7
194.12563	2.6
199.13283	26.6
203.12807	3.4
211.13304	75.2
212.16490	2.3
214.18007	5.7
217.14357	38.4
217.80402	1.6
249.14864	1.7
260.14987	2.6
267.15921	49.3
268.16251	2.3
285.16977	21.1
299.20071	1.9
317.21310	8.6
330.22839	2.5
335.22092	12.6
409.25836	50.8
410.26144	3.0
427.20013	6.2
427.26913	100.0
428.27234	6.4
441.67520	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	427.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.5
55.05515	86.8
57.03432	29.4
57.82095	7.2
59.58923	7.3
61.02923	11.7
67.05507	40.8
69.03426	18.1
69.07072	22.3
71.04971	6.6
71.08617	8.5
71.59604	9.7
71.59943	8.0
79.05494	58.8
81.03424	89.8
81.07063	54.6
83.04984	27.7
83.08624	52.3
85.02918	44.4
91.05491	45.5
93.07026	31.2
95.04971	42.7
95.08614	27.5
97.02898	16.6
97.06519	14.2
97.10171	54.7
105.07041	42.8
105.29671	6.3
107.04937	9.7
107.08593	39.0
109.06553	11.4
109.10165	16.6
111.04449	8.8
111.08095	9.0
119.08588	34.2
121.10162	25.1
123.08089	8.6
125.09611	43.2
133.10123	15.9
137.09584	9.2
143.10626	11.2
144.66707	6.2
145.10129	8.8
147.11694	23.5
149.09639	18.2
157.10103	18.0
165.09148	16.4
165.12802	8.4
175.11230	28.4
187.11079	7.3
193.12219	93.6
199.13347	33.8
203.12811	14.7
211.13268	73.3
217.14342	34.2
227.12885	7.8
265.12946	10.0
267.15924	50.0
283.13739	7.3
285.17023	13.8
314.12903	15.9
317.21136	7.6
335.22171	14.5
409.25821	52.0
427.19281	8.7
427.21143	9.9
427.27014	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	427.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01865	3.4
55.05508	15.9
56.96554	1.3
57.03434	5.6
57.07067	1.4
59.04986	3.6
61.02924	4.6
65.03938	1.0
67.05505	6.5
69.03428	17.7
69.07064	6.3
70.06591	2.1
71.04987	4.4
71.61149	1.1
73.02942	1.8
79.05492	7.5
81.03421	11.1
81.07047	14.4
83.04981	18.2
83.08620	2.2
85.02901	40.6
85.06532	3.2
86.06079	2.4
86.09704	2.3
87.04459	2.7
91.05476	17.4
92.05813	1.4
93.07045	11.4
94.06550	1.0
95.04970	22.4
95.08604	9.8
97.02895	15.4
97.06522	3.5
97.10140	1.3
98.97538	1.0
99.04464	3.5
101.06019	9.8
103.03936	1.4
105.07030	10.7
107.04937	2.0
107.08595	13.0
109.02850	5.8
109.06506	9.6
109.10149	8.9
111.04448	3.3
111.08088	1.3
115.05437	0.9
116.39214	0.9
116.98590	1.0
117.07008	2.3
119.04926	1.8
119.08583	8.5
120.08109	1.9
121.06527	3.9
121.08398	1.1
121.10149	8.9
123.08055	3.6
123.11707	5.4
125.06017	1.6
127.03910	8.9
128.06282	1.9
129.06975	1.4
131.04974	1.0
131.08551	5.2
132.66508	1.0
133.06569	1.1
133.10118	7.1
135.04372	1.1
135.08043	7.8
135.11684	9.7
137.06006	2.3
137.09608	2.3
137.13326	1.1
139.07523	1.2
143.08565	4.2
145.04990	3.8
145.06491	1.3
145.10104	8.4
147.08095	1.6
147.11659	8.3
148.12010	1.7
149.09613	5.8
151.07530	2.9
153.05428	1.3
153.07042	1.0
153.12679	1.5
155.08549	1.3
157.10110	2.3
159.08076	3.2
159.11696	4.4
161.09641	5.5
161.13243	2.9
163.03902	1.5
163.07584	1.6
163.11218	7.2
163.14799	1.1
165.09126	1.3
165.12750	47.9
167.07065	1.2
169.10173	1.2
171.11636	1.7
173.09631	2.2
173.13287	2.2
175.14792	1.4
177.09129	4.5
177.16309	1.1
179.10622	1.4
181.12268	2.0
185.09669	1.3
187.14832	2.2
189.12794	4.2
191.10716	6.3
191.12239	1.3
191.14310	1.7
196.12532	1.0
201.16519	1.3
203.12683	2.2
205.12126	1.1
205.15875	6.1
208.12199	1.1
219.17445	1.8
227.12801	1.8
229.15903	3.1
235.16968	1.4
247.16928	29.4
265.17987	100.0
286.17365	5.5
304.54514	1.0
341.05560	1.3
353.16336	1.2
365.22937	1.4
384.15353	1.3
409.18152	3.1
409.22919	1.4
427.18610	16.4
427.23480	8.8
427.28485	1.2
427.29526	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	427.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
53.49411	1.0
55.05515	20.2
56.96562	4.2
57.03442	7.8
59.04995	1.1
60.04520	1.1
61.02914	1.0
61.87166	1.1
67.05493	2.8
69.03432	7.3
70.06586	4.1
71.04999	30.5
71.17251	1.4
71.17612	2.6
72.08153	1.7
73.02929	2.6
75.04482	5.1
79.05487	2.0
81.03424	3.3
81.05468	1.1
81.07041	3.3
83.04984	6.4
83.08625	44.3
84.04531	1.5
85.02910	61.3
85.06510	1.6
87.04452	2.2
87.39684	1.4
91.05468	2.3
91.32764	1.3
93.07053	2.7
95.04974	1.3
95.08603	3.0
97.02901	8.9
97.06514	1.5
97.10166	1.5
98.97599	5.2
99.04438	4.8
101.07140	4.5
101.09663	41.5
103.07585	1.6
107.08600	5.7
108.08930	1.5
109.02885	2.8
109.06512	1.1
109.10168	2.3
110.97591	1.7
111.04443	4.7
116.98622	4.8
119.08555	1.5
119.10699	21.6
120.05612	12.8
121.10158	3.3
123.04470	1.5
123.08051	1.8
123.11689	1.1
124.78375	1.1
127.03939	4.8
128.98659	1.9
129.05490	18.0
129.06390	1.8
131.08580	1.6
133.10178	1.7
134.99648	2.1
135.08104	1.0
135.11740	1.7
145.04976	3.4
146.99646	2.6
147.04427	3.9
147.06499	7.8
150.07771	8.7
150.10101	1.3
158.99646	2.1
161.01215	1.5
163.03954	1.5
166.52701	1.1
173.13200	1.4
177.00749	1.7
179.03442	15.4
180.03780	3.4
181.03787	1.8
201.03813	1.9
201.07240	1.3
203.05327	3.9
203.12816	2.3
214.08641	1.2
219.01857	3.1
223.04373	1.2
223.59193	1.2
224.26302	1.2
237.02904	4.2
239.02371	2.2
247.06244	1.3
257.03452	1.8
283.12213	3.5
295.11609	1.4
301.13275	1.6
302.13489	1.4
336.67090	1.4
343.14713	1.4
345.67764	3.1
365.05685	4.3
366.05673	2.8
367.05484	2.1
397.18488	1.8
426.70285	1.9
427.19510	100.0
428.19846	3.1
445.17627	1.6
446.17606	2.9
447.17688	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	427.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09972	3.2
53.03941	7.2
55.01870	10.5
55.05503	9.0
57.03438	9.3
57.07062	3.7
59.05008	3.0
67.05509	14.5
69.03431	29.6
69.07064	8.3
71.04980	10.4
71.62389	4.3
79.05490	16.9
81.03423	65.0
81.07059	24.8
83.04981	17.1
83.08630	5.2
85.02919	11.0
91.05511	7.1
93.07055	23.4
95.04956	3.3
95.08610	28.8
97.02891	24.2
97.06535	5.0
97.10149	4.3
99.04488	7.4
105.07048	4.4
106.51440	3.3
107.04898	3.0
107.08575	15.8
109.02881	10.3
109.10175	9.7
111.04465	10.3
111.08046	4.7
111.35912	3.3
117.07001	4.4
119.08620	8.9
121.06465	3.5
121.10133	9.5
123.11691	4.4
127.03933	22.0
133.10172	4.5
135.11719	18.3
137.13278	13.9
145.10101	9.1
147.11642	2.9
149.13269	3.9
153.12769	15.8
159.11562	3.5
163.11197	17.7
166.15123	3.4
181.12225	15.8
191.10669	8.7
202.31039	3.6
209.11780	6.7
227.12758	32.4
283.15543	3.8
306.57690	3.8
353.15942	10.6
370.62726	3.5
427.19711	100.0
427.35620	6.6
428.20337	4.9
448.76477	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	425.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26151	3.5
53.03949	3.4
54.03470	3.6
55.05502	9.1
56.57753	2.9
57.07067	6.2
57.32151	3.5
60.25791	3.7
60.76233	2.9
67.05515	34.6
69.07059	18.4
70.21358	16.4
72.60368	3.1
79.05480	9.6
81.07062	39.6
83.08609	6.4
91.05486	7.8
93.07044	22.5
95.08605	50.6
97.10179	7.3
105.07033	16.7
107.08604	26.5
109.10162	100.0
117.93969	3.3
119.08590	29.8
121.10144	27.3
123.11684	13.2
125.09670	3.1
127.11205	4.6
131.08556	5.4
133.10149	24.3
135.11665	24.0
137.13255	8.7
145.10115	5.9
147.11665	19.4
149.13269	13.6
159.11696	12.4
161.13263	16.0
162.19121	3.3
163.14810	9.5
163.48410	3.2
164.68138	3.8
173.13284	7.6
175.14798	7.0
177.16391	9.0
179.14200	4.7
179.49043	3.4
187.14853	4.6
189.16351	16.6
191.17966	21.2
201.16364	4.4
203.17981	18.8
205.19516	4.0
207.17393	7.9
213.16269	5.1
215.17911	8.9
217.19548	23.9
269.22775	5.1
313.27313	4.1
341.49811	4.1
407.36703	23.7
425.37939	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
54.93114	6.4
55.05498	8.1
59.91563	6.2
65.27994	8.5
66.04267	6.5
69.07066	22.8
71.60019	12.8
74.05923	9.3
81.07054	41.1
91.04858	8.2
91.05428	11.3
93.07047	23.7
95.08615	53.4
107.08609	35.2
109.10152	38.4
114.70301	8.5
119.08572	12.8
121.10153	31.9
123.08058	7.4
123.11709	16.4
133.10127	17.6
135.11694	22.3
137.13219	17.4
147.11684	14.1
149.13283	9.9
163.14781	9.5
189.16399	10.2
191.17947	18.2
201.16405	8.4
203.17961	11.1
233.18571	7.4
233.22591	7.4
257.22519	12.6
381.47836	7.8
407.36743	30.2
425.15714	14.1
425.37738	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	427.1572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.7
56.96543	0.2
57.03438	0.2
57.04541	0.5
69.03403	0.5
69.07060	0.3
69.39056	0.2
70.06566	0.4
70.36974	0.5
70.64373	0.2
71.05003	0.2
72.01119	0.2
75.13156	0.2
79.05442	0.2
81.03415	0.2
84.04393	0.1
84.71735	0.2
85.02892	0.7
93.07024	0.2
94.04049	1.5
97.02882	0.5
97.10156	0.8
98.97597	0.3
107.08543	0.2
109.10148	0.2
115.11179	0.6
121.10103	0.3
122.35175	0.2
123.04407	0.4
123.06666	0.9
124.04788	0.3
124.07579	0.3
127.03926	0.3
129.10188	0.2
131.45036	0.2
133.05098	0.5
135.05370	0.2
136.07460	0.3
143.35249	0.2
147.04469	0.3
147.11713	0.2
150.07742	100.0
151.08118	0.8
179.03339	0.5
189.02023	0.2
203.05223	0.2
225.11143	0.2
239.44852	0.2
262.96371	0.2
265.12674	0.7
265.59238	0.2
282.11945	0.8
295.11487	24.3
296.11841	0.5
297.61487	0.2
397.18710	0.4
409.18204	0.3
427.19427	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	425.3775
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.60302	7.6
55.05495	29.3
57.07070	16.0
59.16496	7.8
67.05484	26.8
69.07069	95.5
70.79710	19.5
70.80080	17.2
79.05495	20.0
81.07046	68.5
83.08622	44.5
83.09066	8.4
91.05470	21.0
93.07058	43.4
95.05019	9.5
95.08592	100.0
97.10147	18.3
105.07011	38.6
107.08585	86.2
109.10155	93.6
111.11686	14.1
119.08587	57.8
121.10146	67.6
123.11718	40.0
133.10132	66.6
135.11673	61.2
137.13229	24.5
145.10118	17.0
147.11670	32.8
149.13249	16.4
159.11659	27.0
161.13203	41.1
163.14804	37.7
171.97583	7.8
173.13286	21.1
175.14786	25.8
177.16371	8.9
187.14746	17.1
189.16348	38.2
191.17934	17.8
199.14827	10.5
201.16425	24.7
203.17905	24.0
213.16377	11.6
215.17921	17.7
217.19513	20.1
227.17984	11.9
229.19458	15.2
231.21069	10.3
241.19608	8.8
255.20979	8.7
257.22702	12.4
269.22675	69.9
271.24136	9.8
281.77249	8.4
287.23657	65.6
315.26877	16.4
407.36932	48.3
425.37936	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
51.30076	2.4
55.05503	16.2
57.07055	8.4
61.34443	2.2
67.05492	31.2
69.06719	4.5
69.07065	53.1
69.93612	16.0
71.04993	13.8
79.05500	14.2
81.07059	51.0
83.08611	19.2
85.06539	50.1
89.06025	7.8
89.71390	2.7
91.05462	13.0
93.07032	29.6
95.04971	5.5
95.08607	66.6
97.06512	8.7
97.10156	8.2
105.07026	33.5
107.08596	48.6
109.10155	65.8
111.08056	4.2
111.11720	6.8
113.09612	6.8
117.07006	6.0
119.08571	30.8
121.10126	37.1
123.11710	35.4
129.07028	3.4
131.08568	16.4
133.08574	5.9
133.10133	28.0
135.11700	24.1
137.09627	5.6
137.13226	13.2
139.11157	16.9
143.08553	5.8
143.48308	2.7
145.10109	26.3
147.11665	23.8
149.13242	18.6
151.11163	3.4
151.14865	3.9
153.12741	3.8
156.09280	3.0
157.10136	11.7
159.11691	24.4
161.13237	18.7
163.11177	3.2
163.14816	10.6
170.10962	2.6
171.11711	11.3
173.13255	21.8
175.14804	13.2
177.16386	10.3
179.14284	3.7
185.13208	11.9
187.14755	14.3
189.16373	10.0
191.14241	5.2
191.17944	6.7
199.14844	8.4
201.16399	10.6
203.17958	9.9
205.19524	3.8
209.13150	2.7
213.16425	11.3
215.17976	9.9
217.19550	10.0
227.17975	4.4
229.19586	7.8
231.17371	3.4
231.20987	3.3
233.19063	5.0
239.14905	6.3
240.15318	4.8
241.19586	3.9
245.19090	5.0
247.20543	4.5
255.21167	4.1
259.20660	5.9
269.22720	5.5
271.24335	5.2
273.21967	6.2
287.23706	4.1
297.25607	3.4
301.25290	3.2
325.28656	5.4
343.30026	3.6
351.30698	3.2
369.31653	4.1
407.36758	6.7
425.37799	100.0
426.38092	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
52.78141	7.6
54.39078	6.6
55.05509	19.2
57.70217	6.9
60.11060	7.4
61.48724	7.3
64.16644	7.0
67.05495	32.5
69.07082	45.3
69.25037	37.0
69.25469	51.7
73.99678	8.0
79.05487	23.2
81.07061	78.3
83.08627	18.7
87.34268	8.7
91.05490	25.4
93.07058	48.2
94.08051	9.5
95.08614	100.0
97.10159	9.7
98.20788	16.0
99.55892	7.3
105.07035	32.7
107.08592	74.2
109.10158	97.3
111.11697	11.8
117.07075	8.0
119.08575	64.8
120.28324	7.0
121.10146	55.8
123.11702	42.4
126.52000	7.1
130.55080	6.9
131.08568	9.1
131.77098	8.0
133.10123	43.8
135.11697	46.8
137.13263	17.1
145.10106	25.5
147.11717	43.2
149.13257	37.7
152.09351	8.0
153.17975	8.2
159.11696	25.7
161.13277	55.0
163.14839	32.6
169.15747	7.7
171.11629	11.2
173.13254	20.7
175.14821	29.5
177.16393	15.8
179.14301	12.5
187.14876	17.6
189.16360	17.3
191.14326	12.2
191.17981	37.3
195.13759	8.6
201.16441	15.3
203.17929	47.1
205.19478	16.6
215.17966	24.7
217.19542	25.7
229.19469	17.8
230.63786	7.6
231.20998	8.2
259.23660	8.1
297.25607	8.6
407.36972	47.9
425.37711	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	425.3779
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.01872	5.8
55.05502	20.2
57.07070	14.9
57.67757	4.9
62.23230	4.9
63.80834	4.3
67.05508	33.7
68.93782	4.6
69.07066	45.4
71.04987	13.0
71.34298	12.5
72.96038	4.0
74.03150	4.5
79.05482	12.0
81.03391	5.1
81.07058	65.3
83.08618	11.3
85.06548	53.1
91.05485	11.3
93.07033	38.4
93.76464	5.3
95.04990	4.9
95.08611	70.9
97.06520	5.0
97.10170	6.3
105.07025	31.2
107.08604	50.2
109.10154	71.2
111.08072	8.2
111.11711	7.0
117.06989	7.2
119.08591	30.6
121.10163	38.0
123.11696	28.1
131.08588	12.7
133.10126	30.0
135.11694	29.6
137.13266	9.5
139.11186	8.1
143.08531	6.3
145.10141	23.9
147.11710	27.4
149.13249	21.5
157.10139	11.6
159.11716	38.4
161.13275	15.6
163.14867	13.7
171.11646	5.7
173.13283	17.7
175.14778	6.9
177.16406	8.2
185.13300	8.9
187.14812	13.5
189.12810	5.1
189.16405	18.2
191.17995	16.7
199.14873	7.4
201.16391	12.7
203.17978	15.4
213.16379	7.1
215.17839	10.9
217.19562	9.1
227.18089	5.0
229.19377	6.2
241.19678	6.1
241.23186	4.3
243.21162	4.8
284.89777	5.0
369.31216	6.2
407.36618	7.5
425.37930	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	425.3777
Annotation	Pachysandienol B
Peak:m/z	Relative Intensity
55.05511	23.7
57.07063	10.8
62.90581	2.5
66.90445	2.4
67.05502	34.7
69.07067	62.9
70.04324	12.4
71.04985	9.8
79.05484	18.7
81.07053	63.3
83.08618	22.3
85.06541	21.0
91.05470	16.5
93.07046	44.7
95.04948	3.9
95.08606	73.5
96.08926	2.8
97.06523	8.5
97.10183	9.4
98.20820	3.1
105.07031	32.8
107.08598	54.1
109.06493	3.8
109.10157	60.9
111.08119	4.0
111.11697	6.0
113.09638	3.7
117.07000	3.6
119.08590	44.4
121.10139	54.4
123.11701	30.2
125.09634	4.5
128.55534	2.5
131.08560	14.3
133.10135	37.3
135.11682	30.9
137.09567	3.5
137.13223	14.0
139.11140	7.8
143.08609	5.9
144.09343	3.7
145.10118	25.5
147.11694	29.6
149.13263	31.3
151.07579	3.3
151.11176	2.6
151.14809	4.5
153.12762	4.1
157.10123	6.0
158.03998	2.3
159.11679	27.0
161.13261	26.6
163.14812	15.3
171.11725	5.5
173.13324	16.0
175.14818	13.0
177.16397	13.1
179.14417	3.0
181.09825	2.6
185.13277	7.5
187.14752	12.2
189.16342	13.3
191.14351	2.9
191.17989	10.8
193.15826	4.9
199.14867	6.6
201.16431	9.3
203.17915	13.9
205.15877	3.0
205.19574	4.5
211.14732	2.6
213.16379	6.1
215.17970	9.0
217.19521	11.6
219.17445	3.6
229.19487	13.9
231.21132	3.9
233.19136	4.0
241.19508	4.4
243.20940	2.7
245.22656	6.2
247.20567	8.8
255.21101	6.1
257.22766	2.6
269.22614	4.5
271.24261	3.5
275.23688	2.5
283.24207	4.7
297.25946	3.0
313.25629	2.9
328.94061	2.6
343.30112	4.3
383.33148	3.2
407.37015	25.3
408.37436	2.9
425.37823	100.0
426.38364	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	425.2663
Annotation	Methyldehydrograviphane
Peak:m/z	Relative Intensity
55.05503	5.4
57.03426	7.0
57.07079	19.6
67.05494	7.0
69.07051	7.5
69.99671	7.9
70.00086	3.6
71.08624	14.3
79.44035	2.3
81.07072	12.8
83.08623	5.1
85.10173	8.2
85.52146	2.6
91.05476	3.1
93.07025	4.0
95.08613	17.4
97.10146	4.3
98.21481	3.2
100.84444	2.4
107.08568	3.4
109.10146	9.3
113.00021	81.4
119.08571	5.4
120.50481	2.7
121.10147	5.6
123.11710	4.0
131.72131	2.1
133.10112	3.4
135.11655	3.7
137.13219	3.6
143.08556	2.7
149.13255	3.3
169.02605	100.0
246.07890	2.1
256.32983	2.4
313.27368	42.2
407.25406	3.4
425.37906	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	425.378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	31.6
57.07068	21.1
59.04978	4.2
59.51943	4.7
60.95282	4.1
67.05505	49.3
69.07070	72.6
71.04984	16.1
71.08620	9.1
71.34824	3.8
71.53631	4.3
71.60638	6.6
79.05500	22.2
81.07053	85.8
83.08621	29.1
85.06545	64.8
85.10186	6.1
87.04474	9.2
89.06034	5.8
91.05462	14.9
93.07029	41.2
95.08043	6.8
95.08608	75.0
97.06544	11.8
97.10165	8.9
99.08059	5.1
105.07028	36.0
107.08591	64.4
109.10160	100.0
111.08067	6.2
113.00018	31.7
113.09621	8.7
119.08572	31.9
121.10133	39.5
123.11712	39.6
127.11186	16.4
131.08589	21.0
133.10117	29.7
135.11700	29.8
137.09631	9.5
137.13246	13.0
139.11195	13.6
145.10141	32.6
147.11685	30.6
149.13264	25.5
152.20724	4.5
153.12732	4.6
157.10150	14.7
159.11705	31.1
161.13254	18.7
163.14801	16.2
169.02644	42.9
171.11729	13.6
173.13316	23.9
173.54254	4.9
175.14803	12.3
177.16437	9.6
179.14328	7.1
179.17804	5.0
183.11678	6.5
185.13248	19.0
187.14816	14.0
189.16356	11.5
191.17946	5.4
199.14761	13.5
201.16322	9.0
203.17992	17.7
205.19443	8.2
213.16431	14.9
215.18004	13.2
217.19501	17.9
219.17799	4.7
227.17903	5.2
229.19539	14.6
235.20639	6.4
241.19371	6.4
243.21175	9.2
247.20699	5.5
255.20940	6.1
297.25674	11.5
313.27313	19.1
336.46725	5.0
407.36813	8.0
425.21481	52.8
425.37949	97.9
426.21640	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	425.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.3
55.01862	6.0
55.05511	3.9
57.03439	13.5
57.07078	2.9
59.04981	1.9
61.02927	8.6
64.88138	1.8
67.05502	5.4
68.99790	4.1
69.03075	3.1
69.03429	47.5
70.06582	2.3
71.04990	15.6
71.08633	16.2
71.59422	3.1
73.02917	4.7
79.05495	5.2
80.54357	1.4
81.03417	24.2
81.07057	18.2
83.04988	6.1
83.08601	2.3
84.04494	2.1
85.02903	100.0
85.06539	7.6
86.03220	1.4
87.00832	42.8
87.04485	2.8
91.05489	3.0
93.07039	3.3
94.69812	1.5
95.04988	5.0
95.08614	5.4
97.02889	22.3
99.04440	10.1
99.08100	18.2
100.11237	5.4
105.01865	45.2
105.07042	3.5
107.08601	3.9
109.02889	26.4
109.06529	13.1
109.10130	4.8
110.03204	1.9
111.04436	2.5
111.27065	1.9
113.09667	1.7
114.09199	5.1
116.98654	2.7
117.09131	94.4
118.09414	1.8
119.08567	3.0
121.06530	1.9
121.10155	4.1
125.02398	1.7
127.03921	72.7
127.07574	3.7
128.10683	2.3
129.01794	2.3
135.11604	2.1
136.07533	1.7
137.09647	2.4
140.10667	4.5
141.09106	32.0
142.08623	3.7
145.04980	12.7
145.08611	9.7
145.10086	1.9
147.04468	1.8
147.06544	1.9
159.02942	3.5
159.10194	8.9
163.11224	3.5
164.11568	1.8
167.97539	2.0
168.10336	2.9
173.11763	3.4
177.11247	21.7
181.12262	1.9
182.15356	4.7
183.22939	1.7
187.09734	9.7
187.11150	2.0
189.03987	3.4
210.12090	2.7
210.14906	3.9
226.69881	1.5
227.12759	6.3
228.13217	9.1
229.14378	2.9
231.05005	19.3
243.12358	3.9
305.15054	1.8
368.25363	2.5
371.13052	2.1
389.14536	5.0
425.17883	21.5
425.31332	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	425.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.5
55.01860	15.8
55.05261	6.5
55.05512	82.3
57.03426	12.3
67.05504	60.5
68.42918	4.6
69.03433	10.2
69.07066	22.6
71.04984	7.4
71.60316	10.1
79.05491	65.7
81.03431	31.0
81.07060	52.9
83.01350	6.1
83.04971	27.2
83.08617	36.0
91.05473	25.1
93.07063	34.6
95.04964	13.2
95.08620	35.2
97.06518	12.4
97.10188	53.0
100.96500	4.4
105.07034	17.8
107.04956	38.1
107.08589	41.1
109.06530	10.1
109.10126	31.7
111.04420	11.7
111.08080	7.1
117.06992	12.6
118.08473	4.1
119.08575	19.4
121.06493	4.7
121.10141	14.1
125.09636	46.8
127.07570	4.3
131.08582	7.2
133.10143	18.6
135.08031	5.1
135.11684	23.0
143.08594	5.1
143.10677	5.7
145.10143	25.8
147.08110	4.9
151.11124	5.7
153.12781	7.7
157.10188	9.1
159.11679	5.8
163.11189	32.4
165.09128	20.7
169.79170	4.7
171.11674	5.1
173.09662	9.8
173.11726	8.0
181.12260	9.6
191.09064	4.9
191.10616	24.7
195.11665	4.8
199.13309	31.8
209.11783	13.9
217.14377	16.8
227.12773	35.5
253.14508	6.5
265.14392	12.4
283.15445	18.1
310.67493	5.2
333.20831	5.0
407.24338	11.5
425.25388	100.0
443.20587	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	425.1419
Annotation	Ginkgolide J
Peak:m/z	Relative Intensity
52.42227	0.4
55.05490	1.1
56.96532	1.2
57.03403	0.6
61.02915	0.7
62.06069	0.4
67.05472	0.8
69.03403	1.1
69.07044	0.6
70.04873	2.0
70.06557	1.7
71.04960	1.0
72.08134	0.6
73.02886	1.0
79.05469	1.0
81.07020	1.9
81.07456	0.4
83.04943	0.7
84.04479	0.8
84.08087	0.5
85.02918	3.7
85.06503	0.6
86.09698	0.7
91.05483	10.0
92.05775	1.3
93.07014	1.3
93.95718	0.4
95.04973	0.7
95.08554	1.5
97.02827	1.5
97.06474	0.8
98.20837	0.6
98.82352	0.5
98.97584	2.9
99.04411	0.5
103.03947	0.9
105.06980	1.3
107.08540	1.7
109.06437	0.6
109.10126	1.4
111.08059	0.6
116.98585	2.0
119.04975	0.6
119.08553	1.1
120.08044	0.5
121.10098	1.4
123.07993	1.6
126.05459	0.6
127.03890	1.0
128.98593	0.7
131.01755	0.5
133.10077	0.8
134.04269	0.5
134.99576	0.4
135.07993	0.6
135.11668	0.8
136.07513	0.7
137.09554	0.6
139.11211	0.5
141.12807	0.5
143.00194	0.4
149.07428	0.6
149.13257	0.5
151.06956	1.0
152.02417	0.4
153.09145	0.5
155.01755	0.5
158.99585	0.6
161.00940	0.4
161.13081	0.4
162.52650	0.5
165.08975	0.6
173.13234	0.6
177.00623	1.8
177.12758	0.4
209.15154	0.7
210.15636	1.1
219.01689	0.6
221.98222	0.6
222.08145	0.5
223.08908	0.6
224.09787	1.7
228.16682	0.6
231.08536	0.5
233.10187	0.7
237.02785	0.6
249.02615	0.9
261.09665	0.5
281.03210	0.7
285.13641	0.9
293.09756	2.1
295.11368	2.7
299.04190	1.5
309.13699	0.5
311.09464	1.0
313.12067	0.9
335.16049	0.7
359.15115	0.5
407.16965	1.0
424.67661	1.4
425.13745	100.0
425.68378	1.4
426.14120	3.8
427.16364	0.4
445.16898	0.5
446.17407	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	5.4
58.89093	1.0
61.60721	0.8
70.01688	1.0
80.47984	0.8
82.99850	1.1
84.04530	1.3
85.02895	2.0
97.02876	2.1
98.97577	8.6
101.00874	6.3
110.87261	0.9
110.97571	1.2
112.89594	3.4
113.00871	1.1
116.98631	5.7
119.01925	22.2
128.98590	3.2
131.01901	6.5
133.03458	1.2
134.99643	2.2
137.02943	5.3
140.10307	0.9
142.03485	1.4
142.96434	0.9
143.01901	18.9
145.03473	8.9
146.99651	2.6
149.02988	1.5
155.01898	10.0
157.03438	5.4
158.99654	4.7
161.02962	51.6
162.03261	1.5
162.99178	0.9
163.04550	2.1
165.00632	1.7
167.01872	5.0
169.03415	2.7
170.99655	1.4
171.05029	1.9
172.97580	1.4
173.01480	0.9
173.02959	22.0
175.04532	1.8
177.00745	4.8
179.01936	2.7
179.04024	1.7
184.04620	2.2
185.02957	34.3
186.99202	1.1
187.04506	3.3
188.97032	1.5
189.00703	3.8
190.98613	4.8
191.02451	1.5
191.03990	6.0
197.02991	11.0
199.04433	1.5
200.04362	1.0
201.00656	2.0
202.98657	1.9
203.04018	18.9
205.00247	2.9
207.01782	1.8
208.04590	1.7
208.99617	1.4
214.98662	2.8
215.04002	8.8
219.01785	2.4
220.99529	1.3
221.05055	3.4
227.04001	6.5
229.27225	1.1
230.98102	1.1
232.99695	3.2
233.05081	1.3
237.02850	2.2
245.05077	100.0
246.05276	2.0
247.01242	3.2
257.05078	5.5
263.00690	1.9
263.06125	30.3
275.00769	2.5
275.06146	12.9
279.03842	1.1
281.01868	5.5
286.07715	1.7
293.07254	4.5
299.02859	1.4
305.01889	5.1
305.07202	12.5
317.07172	1.1
323.02863	8.0
335.02621	1.7
335.08173	3.0
365.09250	9.7
383.10196	1.2
425.06375	7.9
425.11697	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89245	2.6
55.01886	3.7
55.05502	12.7
56.82932	2.9
57.07063	4.1
63.13845	3.1
67.05489	7.6
68.98621	2.8
69.03429	6.6
69.07079	17.1
69.30662	30.6
69.31081	5.2
71.08623	8.2
79.05495	4.6
81.07060	22.7
83.04978	3.1
83.08614	8.8
83.27534	3.2
85.02908	8.2
85.06551	11.2
86.09707	15.3
87.10001	3.4
91.05474	7.3
93.07056	5.6
95.08585	15.2
97.02909	4.9
98.97590	3.8
99.08104	8.1
105.07024	5.8
106.24484	2.8
107.08601	9.4
109.06555	4.2
109.10147	8.6
111.07360	5.6
111.08083	71.9
115.99432	3.0
119.08595	6.2
120.08066	3.3
120.08938	3.7
121.10146	7.0
123.11719	7.4
127.03872	3.2
135.88870	2.7
143.08463	2.9
147.11673	6.7
155.14314	92.0
183.13820	100.0
201.14864	50.8
245.17477	6.1
261.40134	2.9
287.10211	6.0
424.18356	7.7
431.05801	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.4
55.05504	6.9
56.96552	1.2
57.03428	3.1
57.07071	2.5
61.02919	1.3
63.25034	0.9
67.05493	5.4
69.03416	3.1
69.06716	1.9
69.07063	20.4
71.01163	2.5
71.04980	4.3
71.08611	1.7
73.02901	2.7
79.05482	4.4
81.03423	1.8
81.06580	1.4
81.07056	24.4
83.04977	3.5
83.08614	7.4
84.04497	2.2
85.02903	25.8
85.06542	6.7
89.25185	0.9
91.05459	3.9
93.07044	6.3
95.04937	1.4
95.08607	12.4
97.02872	2.9
97.06538	5.0
99.04438	6.7
99.08095	1.4
100.11238	3.8
101.02362	2.5
105.07036	11.6
107.08585	9.7
109.06506	5.0
109.10145	3.0
111.08065	2.5
113.06026	1.8
115.07552	2.1
119.08577	7.4
121.10146	13.5
123.08092	6.9
123.11709	28.6
127.03897	1.5
127.07553	8.2
133.10136	1.5
137.09634	1.2
137.13242	3.1
141.09134	3.6
145.10092	1.5
147.11687	34.5
151.07521	1.7
155.14290	6.9
159.11717	1.0
165.09023	1.5
165.12755	21.8
172.03516	1.0
173.13486	1.1
183.13808	93.7
184.14110	2.5
201.14856	100.0
202.15344	1.9
302.21909	1.2
423.84277	3.3
424.25662	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	424.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05492	8.6
56.96564	2.1
57.03439	1.8
57.07069	4.8
67.05482	6.6
68.13560	1.6
69.03421	3.8
69.07066	20.9
69.30845	2.2
69.31195	19.1
69.74028	1.5
71.04983	3.5
71.08610	6.4
73.02900	3.3
79.05483	3.3
80.94945	1.7
81.03422	3.2
81.07058	26.3
83.04975	2.8
83.08596	5.3
85.02896	21.7
85.06525	6.8
85.10170	2.8
88.49232	1.7
91.05496	3.2
93.07028	6.4
95.04974	2.7
95.08607	9.8
97.02887	4.8
97.06523	4.1
97.10178	2.2
99.04440	6.3
101.02396	8.3
105.07031	10.8
107.08582	11.0
109.06506	6.2
109.10154	3.5
113.05981	3.7
119.08578	8.3
120.58142	1.5
121.10141	15.6
123.08057	4.5
123.11716	26.3
127.07579	8.5
131.08556	1.8
137.09598	2.6
137.13263	2.7
141.09087	4.4
147.11693	34.3
155.14281	6.3
159.11766	2.2
165.12752	23.7
174.13971	2.0
181.10356	2.0
183.13802	96.4
201.14859	100.0
287.10355	2.3
425.25980	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.7
57.03424	3.7
59.65083	2.8
69.03413	3.1
69.07062	18.4
69.60905	19.9
71.04994	8.1
72.21791	3.0
74.31694	2.5
79.05467	4.6
81.03443	3.4
81.07050	10.2
83.04963	8.0
83.08614	3.1
85.02916	8.3
91.05463	5.0
93.07045	8.6
94.22810	2.7
95.04976	3.0
95.08610	11.8
97.02895	2.9
97.06532	12.4
98.21474	5.9
98.97583	4.8
99.05556	3.6
105.07016	7.7
107.08580	28.4
109.06519	3.2
109.10128	12.1
111.08103	5.5
119.08582	9.5
121.10137	21.3
121.27913	2.7
123.08061	9.5
123.11714	4.6
125.09682	2.4
127.03938	3.6
127.11174	5.6
131.08559	7.7
133.10124	26.9
135.08031	5.6
135.11699	19.1
145.04939	7.1
145.10068	5.3
147.11697	16.1
149.09610	5.1
149.13264	16.3
151.11165	7.8
153.09111	7.6
158.10855	3.1
161.84743	2.6
163.05988	3.1
163.14833	12.5
165.12758	5.4
165.85448	2.6
167.43111	2.6
173.13274	26.8
175.14891	8.0
187.51027	2.7
191.14317	60.5
209.15373	100.0
209.17366	5.2
227.16435	8.3
336.79678	3.3
425.18521	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06843	1.3
53.03949	2.5
55.05505	4.7
55.39703	1.5
56.96558	2.7
57.03431	2.4
57.07074	1.8
61.02896	1.7
67.05505	5.1
69.03438	9.4
69.07072	13.2
70.06595	3.5
70.87302	3.5
71.04972	4.6
75.63865	1.5
79.05479	6.5
81.03411	6.4
81.07055	41.7
83.04973	6.5
83.08627	3.5
84.04522	2.1
84.11552	1.4
85.02905	28.3
85.06543	2.8
86.09702	5.9
87.00834	3.0
91.05467	4.0
93.07038	13.9
95.04980	8.0
95.08601	25.0
97.01064	2.0
97.02887	8.7
97.06522	5.8
98.97606	4.9
99.04446	6.2
99.08086	10.5
102.05517	1.7
105.01870	7.4
105.07021	9.2
107.08596	23.7
109.02871	4.6
109.06530	7.5
109.10182	9.2
111.08088	5.5
113.05979	1.5
113.09631	3.0
115.07571	5.8
116.98605	3.8
119.08585	5.5
120.08109	2.2
121.06495	6.4
121.10146	17.9
122.10503	1.6
123.08079	13.7
123.11718	5.5
124.07566	1.6
127.03909	8.3
127.07543	5.5
131.08571	5.9
133.10136	11.8
135.08055	7.2
135.11659	8.5
136.07578	8.0
137.09616	3.8
139.07452	1.7
139.11198	3.4
141.09094	16.6
145.04913	4.2
145.10092	3.2
147.04436	2.4
147.11697	5.8
149.09633	2.2
149.13297	7.8
151.11192	3.1
153.09157	3.7
153.12708	3.0
158.10910	2.7
159.10162	11.6
163.14816	8.0
164.07143	1.9
165.12737	21.2
173.13268	11.5
191.14310	31.6
209.15366	72.5
213.04039	2.9
217.72397	1.4
221.11777	1.8
227.16414	100.0
228.16856	1.6
231.04999	4.1
239.12718	1.8
266.28885	1.5
267.12411	1.5
325.12833	2.2
346.11194	1.5
371.13379	1.9
388.23401	1.9
425.08548	2.4
425.16904	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	424.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38881	1.2
53.03926	2.3
55.05523	7.6
55.54855	1.3
55.59084	1.4
56.05025	1.2
56.25150	1.3
56.96558	6.1
57.03444	3.5
57.07073	2.4
61.02938	1.7
62.06090	6.9
67.05499	6.2
69.03426	11.6
69.07071	24.8
69.57877	9.6
70.06599	12.1
71.04987	10.2
72.08151	3.1
73.02915	2.4
74.06079	1.4
79.05498	8.1
81.03421	4.9
81.07066	14.3
83.04990	7.8
83.08622	2.3
84.04488	1.7
84.08184	2.2
85.02905	21.2
85.06535	3.0
86.09696	4.6
87.04456	2.3
91.03949	1.9
91.05482	7.3
93.07048	14.8
95.04977	4.9
95.08612	26.8
97.01945	1.6
97.02870	7.6
97.06538	10.4
98.97577	7.6
99.04466	3.2
105.07032	13.1
107.08603	29.3
109.02884	3.6
109.06518	6.1
109.10172	14.5
110.97598	1.8
111.08081	10.7
115.07587	5.2
116.10656	2.7
116.98685	7.1
119.08575	10.1
120.08083	2.0
121.06504	4.4
121.10154	32.5
123.08054	8.5
123.11716	7.0
125.76974	1.4
127.03902	5.0
127.11198	1.7
128.98587	2.8
130.06557	1.4
131.02870	1.3
131.04932	1.7
131.08577	11.8
133.10139	100.0
134.99660	4.5
135.08069	10.6
135.11697	17.3
136.07582	4.0
137.09653	2.6
139.07593	1.5
139.11180	2.4
140.10794	1.7
141.09117	3.9
143.08557	3.6
145.04990	2.3
145.10141	9.1
146.99638	2.7
147.11717	7.8
149.07529	2.0
149.09595	6.0
149.13284	12.0
151.11192	10.3
153.09065	1.7
158.10916	5.6
158.99646	2.7
159.10155	2.6
161.01311	1.5
161.13214	3.1
163.11156	2.7
163.14832	30.5
165.09090	3.5
165.12724	2.8
167.10690	2.3
173.13278	42.8
177.00754	4.8
182.08195	1.9
191.14320	63.9
209.11789	4.0
209.15381	56.3
209.17361	2.0
219.01772	1.9
221.07539	2.7
222.08273	4.1
227.12758	4.6
227.16440	45.8
231.09019	1.7
237.02754	7.4
241.06021	2.8
244.19124	4.7
262.10703	1.7
262.20111	3.2
263.09119	1.8
265.06000	2.4
283.12122	2.6
285.12570	2.0
294.12036	2.9
303.13431	2.0
311.06665	2.4
325.64569	1.6
329.07840	2.2
334.15433	2.4
343.15887	6.5
344.16556	1.7
357.07285	4.0
365.09558	2.3
371.20715	6.2
407.10883	5.3
415.17804	3.5
416.18546	2.7
424.13461	1.8
424.18552	14.6
424.25323	4.1
424.68683	5.0
425.13104	2.8
425.18091	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89994	3.4
54.16128	3.8
55.05496	16.4
56.96565	5.9
57.03447	5.7
57.62729	4.2
67.05494	7.4
69.03419	12.0
69.07063	24.9
69.92191	22.1
70.06585	5.9
71.04993	8.6
72.13877	4.2
75.28132	3.7
75.75967	4.3
81.07051	19.1
83.04977	13.9
85.02891	16.1
87.04409	3.8
91.05457	8.8
93.07034	10.3
94.76983	3.9
95.04977	5.9
95.08619	19.0
97.02911	9.7
97.06532	16.0
98.07220	4.3
98.97580	18.9
99.04451	6.7
99.05584	9.5
104.07108	6.0
104.87617	3.7
105.07040	10.6
107.08609	40.2
109.06528	8.9
109.10155	11.4
111.08075	6.6
116.98595	5.8
119.08559	11.2
119.55304	3.9
121.10148	31.4
123.08038	11.7
123.11687	10.8
125.09584	5.5
127.03934	6.6
127.11181	6.0
131.08575	6.7
133.10133	31.3
135.08084	8.6
135.11703	24.5
136.07594	4.4
137.09599	7.3
145.04956	6.5
145.10147	8.5
146.99663	5.6
147.04463	4.8
147.11673	19.2
149.13266	21.0
151.11226	7.4
153.09082	5.9
155.30185	4.5
163.14819	18.0
173.13278	29.3
175.14825	6.7
191.14285	59.9
209.15381	100.0
217.12129	3.9
222.08366	3.7
227.16524	19.2
237.02716	6.2
239.02353	6.1
257.03406	5.9
281.10605	4.8
365.05554	28.7
388.13293	4.3
416.18591	5.0
425.18893	8.9
449.28387	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28630	0.6
52.50829	0.7
54.52619	0.6
55.01877	3.9
55.05512	1.8
58.74811	0.7
61.02927	0.7
65.03951	1.0
67.05505	9.5
69.03428	3.6
69.07067	3.4
70.06591	0.8
70.19775	1.6
70.20169	1.2
71.04983	2.9
79.05505	4.4
81.03426	1.0
81.07059	7.8
81.38621	0.6
83.04987	1.4
83.08613	0.7
85.02908	5.9
85.06527	1.9
86.09689	1.2
91.05471	2.7
93.06477	0.8
93.07047	11.4
94.07302	0.7
95.04967	16.1
95.08610	3.7
97.02883	1.8
97.06532	4.1
99.04475	3.4
101.06011	1.5
105.07040	7.8
107.08602	19.8
109.02863	0.9
109.06506	3.2
109.10177	1.5
111.08086	1.0
113.06010	2.1
117.06981	1.3
119.08577	5.4
120.08100	1.1
121.06508	3.2
121.10144	22.0
122.10435	1.0
123.08055	2.9
123.08887	0.7
123.11685	1.8
125.05901	0.8
127.03894	0.9
127.07533	1.1
131.08583	0.9
133.10168	1.1
135.08069	3.2
135.11693	6.3
139.07544	1.1
139.11148	0.9
141.12753	0.7
145.10132	7.2
149.09630	2.6
151.07593	1.5
153.09117	1.1
157.08615	0.7
161.09619	0.7
163.11194	33.1
165.12715	0.9
167.10660	3.3
169.08609	21.0
173.09680	1.0
181.12231	25.0
183.10161	1.5
184.07484	0.8
185.11740	0.7
191.10677	11.5
209.11734	14.5
227.12788	100.0
228.13155	3.1
245.13881	4.1
256.12091	1.6
262.10742	1.2
424.19214	1.8
424.25839	0.7
425.15875	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	424.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01873	5.2
55.05499	7.2
57.03424	6.8
59.04991	2.5
61.02915	3.9
67.05503	32.2
69.03427	23.5
69.07062	6.2
70.06593	5.0
71.04987	44.0
71.58662	3.0
71.59019	3.0
72.28027	1.9
73.02897	3.5
79.05474	10.9
79.35542	2.1
81.03420	12.3
81.06582	5.1
81.07056	83.6
83.04970	5.2
83.08593	3.8
85.02422	3.7
85.02901	46.6
85.06534	7.4
86.09693	4.6
87.00826	22.1
91.05476	8.0
93.07051	14.0
95.04953	8.7
95.08614	19.2
97.02885	17.0
97.06513	3.7
99.04441	8.8
99.08096	10.6
105.01859	20.7
105.07008	7.0
107.08582	9.5
109.02894	17.3
109.06522	3.9
109.10153	13.5
116.98577	4.5
119.08579	2.7
120.08077	3.2
121.10150	17.1
123.04445	2.5
123.11713	47.4
125.09605	7.8
127.03911	34.0
131.08528	3.1
133.10121	4.9
135.08025	4.1
135.11684	9.3
141.12733	100.0
145.04971	12.4
145.10120	8.5
149.09660	3.6
149.13261	5.3
151.07491	4.0
151.11165	2.4
153.12762	6.4
159.02965	4.9
159.13809	32.5
163.11172	11.3
165.09061	2.7
165.12733	3.0
167.14319	3.5
181.12218	13.4
189.03935	2.2
191.10629	3.2
191.14291	3.6
205.70958	2.1
209.11716	5.6
209.15343	20.6
213.03912	3.5
215.55321	2.1
225.07971	3.7
227.12823	34.5
227.16397	9.2
231.04977	7.9
239.09576	2.9
239.20142	2.1
245.13844	3.1
249.06151	3.5
249.14821	4.2
256.10248	2.3
283.11807	2.4
301.35123	2.3
335.14764	3.2
353.15918	2.3
371.16812	3.6
380.10129	6.4
424.09476	18.8
424.18649	3.2
425.17426	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	424.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	4.3
55.01864	4.7
55.05511	10.7
56.96573	2.8
57.03432	4.9
57.07059	3.1
61.02922	4.7
65.03923	2.4
67.05504	41.2
68.99786	2.4
69.03142	2.5
69.03437	31.1
69.07053	5.2
69.58364	14.2
70.06575	6.3
71.01313	2.2
71.04999	51.9
72.08148	3.1
73.02907	3.0
75.71480	2.0
79.05489	12.0
81.03423	20.5
81.07063	100.0
81.57382	2.0
83.04998	4.3
83.08609	5.1
85.02908	57.6
85.06529	8.6
86.09694	5.8
87.00836	21.7
88.43226	1.8
91.05464	5.8
93.07054	13.1
95.04957	8.9
95.08610	21.8
97.02899	23.0
97.06541	3.9
97.10191	3.1
98.20718	2.3
99.04434	9.5
99.08092	8.6
105.01890	29.3
105.07015	9.1
107.08611	20.1
109.02902	21.3
109.06534	2.0
109.10158	12.9
111.08092	4.2
117.07014	3.3
119.08572	11.0
121.10159	21.7
123.08098	4.1
123.11716	55.0
125.09605	3.7
127.03922	31.6
131.08549	2.4
133.10161	3.4
135.11688	8.1
136.07570	2.9
136.81558	2.0
137.05954	2.5
139.11200	3.3
141.12746	86.4
145.04965	11.5
145.10112	7.3
147.11685	3.0
148.12038	2.3
149.13237	4.4
151.07581	2.2
151.11217	4.0
153.12698	5.9
159.02866	8.0
159.13817	37.3
163.11148	15.7
165.12871	2.5
167.14352	2.3
173.13280	2.6
181.12186	12.3
191.10652	6.7
191.14310	2.9
196.09628	2.3
204.53758	2.2
209.11768	9.2
209.15425	13.5
215.84477	1.9
227.12784	41.3
227.16449	6.7
231.04999	8.6
249.14763	3.8
328.17371	2.1
335.14636	3.6
380.10248	6.0
404.77698	2.1
424.09378	17.8
424.26340	2.9
425.17517	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	424.1814
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10526	2.1
54.14482	2.2
55.01872	5.2
55.05504	10.3
57.03417	3.9
57.07071	2.8
61.02932	3.2
65.03929	2.6
65.40307	2.3
67.05505	15.9
69.03429	26.4
69.07056	8.7
70.06583	4.9
70.53043	8.7
71.04993	14.5
72.08157	5.2
78.99189	2.0
79.05499	24.6
81.03410	6.5
81.07057	52.3
83.04984	24.8
83.08613	4.1
84.04520	5.2
84.08129	4.0
85.02911	24.4
85.06525	9.8
86.09699	6.7
87.04498	2.8
89.98209	2.5
91.05477	19.8
93.07051	27.5
95.04967	35.3
95.08607	27.1
97.02888	9.8
97.06525	12.6
98.97591	4.9
99.04472	9.2
99.08089	4.9
101.05990	4.6
105.01818	4.4
105.06373	4.5
105.07024	46.4
107.04952	7.3
107.08593	35.0
109.02879	7.0
109.06519	31.8
109.10165	13.9
109.53255	2.7
111.04446	4.0
111.08082	6.6
113.06007	24.7
115.03916	4.1
115.07583	3.1
116.10708	6.2
116.98647	3.9
117.07034	5.2
119.04967	3.4
119.08598	14.0
121.06477	11.2
121.10130	15.2
123.04427	8.4
123.08090	14.2
123.11699	5.9
124.07558	3.2
125.05996	4.8
125.09615	4.4
127.03900	8.7
127.07560	9.3
129.06998	3.3
131.08575	12.7
133.06483	15.8
133.10136	17.7
135.08041	9.1
135.11682	7.8
137.02371	2.4
137.05984	3.2
137.09645	3.9
141.05467	14.7
141.09091	8.8
142.07762	6.4
143.08531	5.8
145.04991	4.0
145.10130	10.7
147.11687	24.5
149.05997	3.4
149.09634	9.1
149.13252	6.1
151.07529	7.4
151.11165	6.9
152.07077	8.2
153.12793	3.5
155.07004	6.0
156.07626	2.5
157.10135	21.1
159.06516	35.9
159.07916	3.7
159.10390	2.6
159.11694	10.7
161.09590	7.8
163.11185	7.5
165.12746	5.8
167.07054	3.1
167.10678	8.1
173.08089	2.5
173.09521	2.5
173.13353	4.7
175.11168	31.4
175.14804	2.4
177.00726	5.2
177.12717	4.7
179.10663	4.5
185.09587	13.7
185.85802	2.2
187.11227	3.8
191.14334	5.6
193.12219	29.2
193.13844	3.3
195.10098	5.1
198.09186	3.7
203.10670	27.4
205.12244	3.0
209.15334	11.6
211.13295	13.5
221.11708	36.8
226.08679	3.4
227.16435	16.7
237.02809	3.0
239.12762	58.9
249.11249	7.3
257.13870	22.8
262.10718	100.0
263.11066	3.2
267.12289	31.4
285.13254	11.9
325.12857	32.3
343.13904	20.2
371.13318	27.1
389.14432	5.7
424.15979	9.7
425.15756	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	424.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.8
55.01870	6.9
55.05507	7.2
56.96556	2.8
57.03420	7.0
61.02925	8.5
67.05517	12.8
68.99768	3.2
69.03426	25.0
69.07070	18.4
70.06588	5.5
70.99268	3.8
70.99608	3.8
71.04997	13.7
72.08155	4.4
73.02895	5.9
73.06535	2.7
78.98833	2.7
79.05499	5.9
79.16601	2.2
81.03415	23.3
81.07061	25.7
83.04968	6.5
84.04501	3.5
84.08151	4.5
84.33462	2.5
85.02905	85.1
85.06542	3.9
86.09718	6.9
87.00831	25.0
91.05473	18.2
93.07041	10.8
95.04959	7.0
95.08607	83.2
97.02893	31.1
97.06519	7.7
98.97583	6.7
99.04461	16.3
99.08110	4.3
105.01870	33.2
105.07025	9.0
107.08610	17.0
109.02879	34.9
109.06509	4.5
109.10162	8.3
113.09664	13.0
115.07555	20.4
116.98592	6.7
119.08624	6.0
120.08140	3.2
121.02882	3.8
121.10147	11.9
122.02706	2.3
123.08061	42.3
123.11690	2.8
127.03918	61.7
128.98634	2.8
129.05470	2.3
129.10236	3.1
131.08568	7.4
133.10112	8.4
134.99625	2.8
135.11668	4.7
136.07556	5.2
141.09102	100.0
145.04973	13.4
145.10147	3.5
147.04433	2.9
147.11647	5.1
149.01151	2.8
149.09619	3.6
149.13263	4.9
149.50217	2.4
151.11171	2.3
159.02882	7.8
159.06490	3.6
159.10172	73.0
161.13237	4.1
163.14809	3.8
173.13162	4.9
175.11217	4.0
177.00755	4.7
184.89435	2.6
191.14301	7.5
193.12238	3.8
209.15338	18.4
213.03975	13.1
219.01779	4.5
221.11662	3.2
227.16344	13.6
231.05005	20.3
237.02826	4.3
239.12869	4.2
245.08350	4.4
245.11363	3.2
255.72716	2.4
262.10889	3.6
267.12259	5.2
281.10757	3.3
286.48315	2.6
325.12772	3.1
334.15250	2.6
371.13489	12.1
389.14438	4.8
424.18677	19.5
424.68573	6.3
425.08865	3.8
425.18277	17.8
443.15518	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	423.2741
Annotation	spinosyn macrolactone
Peak:m/z	Relative Intensity
52.07652	2.2
53.03942	4.2
55.01866	5.7
55.05305	2.2
55.05519	26.7
56.63006	2.0
57.03436	11.3
57.07066	4.8
65.03949	3.1
67.05505	100.0
69.03433	28.3
69.07064	24.0
69.92924	6.6
69.93342	5.9
71.01346	2.5
71.04980	10.5
72.65276	2.2
73.02911	3.7
77.82344	2.4
79.05495	62.2
81.03419	33.8
81.07058	83.4
83.04983	13.9
83.08610	17.4
83.76546	2.2
85.02912	17.3
85.06557	6.5
87.75720	2.0
91.05479	47.2
93.07045	71.5
95.04956	16.0
95.08607	57.2
97.02882	12.5
97.06522	9.5
97.10183	7.7
98.20771	2.5
99.04449	8.6
99.08074	3.0
103.03938	5.6
105.07034	47.8
107.04975	5.0
107.08595	43.4
109.02897	4.8
109.06519	9.0
109.10161	44.0
111.04423	6.4
111.08070	6.4
111.11705	2.6
112.59309	2.4
115.05444	4.1
117.07018	25.9
119.08582	43.2
121.06487	7.1
121.10144	38.4
122.10371	2.0
123.08075	9.9
123.11674	10.4
125.09631	4.4
127.03920	5.5
128.06242	3.4
129.05487	5.8
129.07018	12.1
131.08572	36.8
133.06487	8.2
133.10133	33.5
135.08049	6.3
135.11679	30.3
137.05959	2.7
137.09628	5.4
137.13245	3.1
141.07022	4.6
142.07788	3.2
143.08562	12.8
145.06493	4.1
145.10101	26.2
147.08047	5.0
147.11682	27.4
149.13274	20.1
151.11116	4.5
155.08522	6.2
157.10141	8.4
159.08020	5.2
159.11705	24.1
161.09645	5.1
161.13206	13.1
163.11220	2.5
163.14786	5.5
165.07097	2.4
169.10104	7.6
171.07959	2.7
171.11749	12.0
173.06062	2.4
173.09608	3.9
173.11732	6.9
173.13266	18.2
175.11136	4.9
175.14841	6.6
177.12830	2.9
177.16447	2.6
179.14267	2.6
180.67305	2.5
181.10072	4.1
183.11736	7.6
185.09665	3.9
185.13287	10.5
186.41000	2.1
187.11211	2.6
187.14853	7.7
189.12711	4.1
189.16359	2.9
190.57901	2.1
195.13699	3.5
197.13271	4.3
199.11128	3.1
199.14828	6.5
201.12799	3.3
203.14308	2.7
209.13264	4.6
217.16013	2.9
241.19513	6.3
243.21103	5.6
249.14885	2.8
253.15790	2.2
259.20618	10.9
261.22168	20.1
273.19244	2.6
273.22137	8.7
277.21674	6.3
285.21948	3.3
289.21805	4.7
291.19849	2.4
291.23001	5.5
301.21640	4.3
303.23062	13.8
313.21533	3.9
315.23248	5.8
317.24564	2.4
319.22665	3.7
327.23288	4.1
331.22571	4.3
341.24814	8.8
345.24219	4.2
351.23285	6.8
359.25882	2.7
369.24203	32.7
387.25287	31.2
405.26334	35.3
419.81985	2.5
423.27350	44.4
423.36285	5.4
430.48044	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	423.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
53.09594	1.3
55.01857	3.6
55.05512	39.4
57.03427	4.4
57.07076	20.4
59.04988	3.0
61.02918	3.0
67.05497	2.8
69.03429	29.8
69.07069	55.6
70.07388	1.2
71.04986	2.5
71.08632	12.0
71.11948	1.9
71.72623	1.2
73.02911	2.8
73.06557	2.1
79.05476	1.3
81.03418	14.8
81.07070	9.3
83.04974	1.1
83.08620	100.0
85.02908	47.5
86.09703	11.4
87.00828	23.8
91.05455	2.4
93.07047	1.8
95.04962	1.1
95.08583	3.5
95.12984	1.0
97.02893	16.5
97.10178	18.3
99.04456	8.3
101.09617	1.3
105.01873	23.1
105.07011	3.0
107.08614	3.1
109.02882	14.6
109.10154	2.2
111.04429	2.1
118.75160	1.2
119.08580	2.5
121.10139	2.3
127.02966	1.8
127.03917	37.8
127.81900	1.2
128.21059	1.2
129.01855	1.5
135.11710	1.8
139.14812	28.2
145.04961	8.0
145.10156	1.9
147.11746	1.7
155.14235	1.9
157.10144	1.4
157.15880	46.4
158.16304	2.1
159.02859	3.6
159.08087	1.4
173.09584	1.2
175.16927	1.3
185.15302	2.0
187.05997	1.3
213.03885	2.2
231.05016	27.8
249.05981	1.6
265.18158	1.1
369.19101	3.4
387.19897	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	423.1795
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
52.35791	1.1
55.01846	1.9
55.05486	2.6
58.99579	2.7
61.01142	5.5
67.05498	1.9
69.03409	1.8
69.07053	1.7
70.85843	1.6
70.86179	2.4
72.04520	7.9
72.08150	1.9
73.02902	3.3
76.02219	3.2
78.03793	16.3
80.05851	1.2
81.03419	2.0
81.07054	3.5
83.04986	2.1
83.27617	1.1
84.08115	1.3
85.02903	13.3
85.06535	1.8
86.06055	2.1
86.09705	2.1
88.02222	4.7
91.05479	2.6
93.07065	3.0
95.04972	2.2
95.08606	1.8
97.02863	1.6
97.06533	1.7
99.04456	6.1
99.05556	2.7
100.02194	5.1
102.03761	21.1
103.02174	2.5
103.03930	13.1
105.00047	1.2
105.07038	2.0
107.08597	1.9
109.02867	4.9
111.08088	1.3
113.05983	2.5
114.03721	3.4
114.05537	1.6
115.05040	1.6
116.98557	1.4
119.08559	2.7
120.04781	4.7
120.08090	2.8
120.08895	2.9
123.08058	1.7
124.07597	1.6
126.05524	16.0
127.03925	6.2
130.45985	1.1
131.06384	10.0
132.04799	11.9
133.10115	1.3
136.07564	2.2
138.05507	1.2
142.08621	5.1
146.02710	7.5
147.05843	1.8
149.07439	45.8
149.13306	1.3
150.09961	1.7
152.01701	1.3
152.07050	1.6
154.08588	1.7
159.05835	1.8
163.11169	2.6
164.11494	2.1
175.05388	3.7
178.13040	1.6
180.06548	11.7
184.09668	1.4
186.09093	1.4
190.13063	4.0
195.13794	3.6
196.14180	5.1
198.07642	3.1
207.13779	2.5
208.14014	2.7
216.08722	1.4
218.08150	2.3
226.15166	1.9
228.93857	1.3
231.11563	3.9
239.08191	1.9
240.08835	1.1
241.09711	3.0
242.07922	1.9
242.10069	4.5
243.11391	2.4
244.11726	2.2
254.10451	1.6
256.11615	1.2
257.09485	2.7
259.10785	3.5
260.11295	2.4
261.12619	2.8
275.10608	2.7
281.09146	1.4
283.10876	1.2
286.12750	2.4
293.11649	100.0
294.11920	2.9
295.07581	1.2
299.10321	3.8
301.11917	1.9
302.12057	4.3
318.14008	3.3
327.09772	9.4
345.10934	9.8
363.10568	3.8
387.11908	7.8
405.12421	14.1
405.16937	29.5
406.17477	1.6
423.13599	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	422.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	6.3
55.05502	10.0
56.05019	3.5
56.96557	4.1
57.03418	3.5
61.02914	5.6
67.05495	10.9
69.03424	15.6
69.07053	10.8
69.45577	18.5
69.46002	9.2
70.06583	11.0
71.04996	6.3
71.49807	3.5
72.08151	5.5
78.94598	3.4
79.05491	12.3
81.03419	8.2
81.07056	19.7
83.04956	5.5
84.08144	3.9
85.02891	19.2
85.06545	6.3
86.09700	15.3
91.05476	15.0
93.07074	18.8
95.04957	36.3
95.08632	22.6
97.02895	10.1
97.06499	5.0
98.97590	8.5
99.04446	4.3
99.08080	6.2
105.07046	22.0
107.04936	11.2
107.08604	18.5
107.29709	3.7
109.02866	7.8
109.06496	10.8
109.10158	14.4
110.06035	3.3
111.08098	5.9
113.06042	3.7
116.98612	6.0
119.08598	26.0
119.09310	4.7
120.08070	6.4
121.02847	11.1
121.10139	26.9
123.08076	13.5
123.11745	4.9
125.09633	7.6
127.03944	6.6
128.98584	3.6
131.08542	6.4
133.10135	20.3
134.99661	5.1
135.11688	8.0
137.09584	18.2
138.09140	29.9
139.07536	7.4
139.11217	5.6
143.08548	9.5
145.10106	6.4
147.08015	4.5
147.11722	9.6
149.09624	46.0
149.13263	6.4
151.07552	6.7
151.11131	4.9
153.52188	3.5
157.10025	3.5
161.09613	31.7
161.13237	21.2
162.09961	3.7
163.11151	7.6
165.12653	5.2
167.10631	5.3
173.30891	3.7
177.12750	16.1
179.10608	5.9
179.14310	13.1
189.09071	6.7
189.12775	23.8
193.22346	3.8
195.13821	13.3
207.02904	5.8
207.10179	24.3
207.13765	62.8
219.01782	5.0
225.11237	16.2
225.14832	34.1
237.02814	12.9
243.12282	3.9
243.15915	12.4
260.09299	9.4
261.68506	3.9
286.04147	3.7
296.06494	5.6
307.05981	7.3
308.06323	15.7
309.07178	6.0
313.06003	4.3
322.08063	8.1
325.07010	5.3
326.07407	12.0
338.07312	7.5
348.09497	13.3
366.10461	11.9
375.08359	7.2
376.08875	12.2
376.23877	4.5
404.08475	43.9
405.08673	4.7
422.09415	100.0
422.24374	13.2
423.10590	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	422.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.5
55.05502	0.9
56.05038	3.1
56.96561	1.1
67.05512	0.6
69.03425	0.8
69.07066	1.0
70.06595	0.9
70.79102	1.2
70.79436	0.5
74.06085	10.0
79.05487	0.5
81.07057	1.5
83.04978	0.5
83.08611	0.6
84.04508	1.6
84.49677	0.5
85.02913	1.6
86.09711	100.0
87.10050	1.4
87.96893	0.4
91.05475	2.3
93.07048	1.0
93.49422	0.5
94.06562	0.6
95.04974	0.6
95.08627	1.3
97.01031	0.4
97.02880	1.8
97.06495	0.7
98.06065	1.3
98.97587	0.7
103.05481	1.5
105.07053	0.9
107.04974	0.7
107.08623	0.9
109.02901	0.6
109.10154	0.7
116.07070	0.8
116.98695	0.8
119.08639	1.2
120.07248	0.7
120.08115	14.3
120.08933	1.0
121.08501	0.5
121.10146	0.6
126.05522	5.7
131.04980	0.8
131.63222	0.4
132.49544	0.5
133.10139	0.7
137.05956	0.7
144.06519	1.0
154.08736	0.7
159.11684	0.5
160.18665	0.5
165.09120	0.5
166.08646	5.6
167.07066	1.7
195.11378	2.3
211.14252	1.0
215.01999	0.5
230.15298	0.5
233.16545	0.5
239.13928	15.2
240.14569	0.5
257.14911	0.8
279.17056	10.9
354.25012	0.6
355.10907	1.1
360.19189	1.6
371.01263	0.5
390.49350	0.5
404.21686	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	422.1116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.4
55.01870	0.3
56.96566	1.2
57.03428	0.7
58.99566	0.2
61.02917	1.0
62.42961	0.2
62.92012	0.2
69.03426	2.5
69.94424	0.5
69.94842	0.5
70.06573	0.3
71.04987	0.4
73.02896	0.5
74.00648	0.9
74.64747	0.2
75.25163	0.2
81.02987	0.2
81.03409	1.4
84.04499	0.3
84.08163	0.3
84.96014	0.3
85.02903	6.5
87.04441	0.3
91.03941	0.4
97.02889	2.1
98.97593	1.4
99.04459	0.7
99.35368	0.2
100.02203	2.4
101.02521	0.6
109.02879	0.9
114.05495	0.2
115.02149	1.9
116.98627	1.1
119.01888	0.3
120.01165	0.7
127.03901	1.8
127.99323	0.2
128.98595	0.5
129.44496	0.2
134.99651	0.7
139.03830	0.3
143.01617	16.8
145.04980	0.8
146.02699	3.9
146.99663	0.4
147.03081	2.2
148.02177	0.2
149.01208	0.3
153.15071	0.2
155.04636	0.3
158.99658	0.5
161.01189	0.4
161.02895	0.2
163.03932	0.4
171.01103	100.0
172.01424	1.6
177.00681	0.7
185.01193	0.2
203.07655	0.2
213.06836	0.2
219.01775	0.4
220.02107	0.2
225.07571	0.3
237.02765	1.2
242.04878	0.3
243.03284	0.2
255.06218	0.2
259.07520	0.6
260.05826	18.7
261.06238	0.5
302.06921	0.3
309.08295	0.2
381.10815	0.4
386.09082	0.7
404.10306	0.4
422.12161	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.2589
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03950	3.0
55.01884	8.3
55.05260	2.3
55.05516	36.9
56.96566	1.9
57.03436	3.2
67.05509	29.4
69.03429	6.7
69.07063	11.4
69.89095	8.0
71.05001	4.4
79.05497	29.5
80.32440	1.2
81.03415	5.7
81.07063	28.2
83.05002	6.1
83.08630	17.4
85.02914	3.4
85.06568	3.7
86.09715	1.5
91.05489	16.5
93.07056	21.7
95.04973	11.8
95.08606	14.1
97.02905	4.4
97.06548	8.3
97.10178	34.4
97.27797	1.2
98.97583	1.3
105.07032	13.8
107.04958	27.3
107.08597	21.6
109.02889	1.4
109.06506	7.1
109.10159	8.5
111.04488	2.1
111.08077	3.1
113.06054	1.4
115.05450	1.8
117.07048	7.1
119.08582	11.6
120.17447	1.1
121.06505	16.8
121.10140	9.4
122.09659	2.2
123.04451	1.5
123.08085	6.4
123.11715	2.4
125.09636	23.8
129.07013	7.9
131.04938	4.0
131.08604	9.7
131.09462	1.9
133.06471	5.7
133.10141	7.7
134.10741	1.3
135.08057	7.7
135.11665	3.3
136.67358	1.2
137.05988	2.0
137.09616	3.1
137.13507	1.1
141.07014	2.9
142.07758	1.5
143.08582	7.4
144.05688	1.3
145.06487	14.0
145.10136	6.1
147.04420	3.9
147.08047	6.5
147.11676	6.1
148.07483	1.5
149.09630	3.9
149.13229	2.4
151.07550	1.6
153.09122	7.6
153.12737	2.3
155.08585	3.4
157.06523	3.3
157.10139	6.7
159.08084	5.2
159.11725	5.6
161.06044	1.6
161.09637	3.9
163.11182	4.4
165.06984	1.4
165.09125	2.7
165.12730	2.1
167.07054	3.2
167.08469	2.1
169.10156	4.5
171.08032	3.5
171.11696	3.0
173.09636	3.3
173.13293	3.6
175.11215	5.3
177.12778	3.3
181.10202	1.6
183.11713	2.2
185.09656	4.3
185.13261	2.4
187.11218	2.4
187.14934	1.7
189.09387	2.1
189.11237	12.3
189.12825	3.1
193.12268	5.4
195.11725	3.2
197.09706	1.5
197.13318	3.2
199.11172	3.4
201.12819	1.5
205.12291	4.7
211.11382	2.2
211.13156	6.3
213.12767	2.3
215.14374	4.6
217.12151	2.9
223.11360	2.1
223.13383	4.1
231.13820	2.4
233.15337	8.0
235.13304	7.3
237.12785	4.2
239.14360	1.8
241.14259	9.8
243.08817	2.2
243.13907	1.6
245.15387	2.7
249.14783	1.9
255.13889	3.3
257.15396	1.8
259.13330	2.5
261.15021	1.6
273.14832	15.2
275.16302	1.6
280.11771	2.6
281.15424	1.2
287.16330	1.8
291.15912	8.4
299.16391	1.7
329.21207	2.7
331.20392	2.0
335.01031	1.2
339.23239	4.8
345.15555	1.5
349.21652	15.4
357.24188	5.9
367.22711	52.9
368.23160	3.3
385.23761	100.0
386.24176	4.7
403.24814	42.4
404.25403	2.0
421.25781	5.2
422.21765	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	421.2586
Annotation	15-oxo spinosyn macrolactone
Peak:m/z	Relative Intensity
53.03938	3.3
54.65832	1.3
55.01874	7.7
55.05512	21.9
57.03443	9.3
57.48462	1.3
59.05000	1.3
61.02918	4.5
65.03944	3.7
67.05505	58.4
69.03437	6.4
69.07069	12.2
71.04985	4.3
73.02920	2.9
79.05495	37.2
81.03417	18.1
81.06590	2.1
81.07063	35.2
83.04993	9.4
83.08630	15.2
85.02395	1.5
85.02892	7.0
85.06541	3.4
91.03952	2.6
91.05484	46.4
93.07043	32.3
95.04362	2.6
95.04971	51.6
95.08610	25.1
96.05311	1.9
97.02895	3.5
97.06519	5.1
97.10174	15.0
98.20765	3.0
98.47687	1.3
99.08112	1.4
105.03458	1.8
105.04502	1.4
105.07030	26.9
106.74359	1.4
107.04967	22.4
107.08604	13.6
109.02869	1.6
109.06500	8.4
109.10158	26.3
111.04461	1.9
111.08099	4.7
115.05442	3.0
117.07013	17.5
119.04958	3.4
119.08580	22.0
121.06512	20.5
121.10152	12.1
123.04450	1.5
123.08096	8.6
123.11749	1.9
125.09627	9.6
127.03942	2.1
128.06252	3.8
129.07008	11.9
131.04904	2.2
131.08582	18.5
131.78125	1.3
133.06493	6.0
133.10143	11.4
135.08046	7.8
135.11694	4.1
137.09625	7.3
139.11198	3.7
141.07021	4.4
143.08609	7.7
145.06522	3.9
145.10124	14.9
147.08037	8.2
147.11703	7.5
149.09630	5.7
153.06938	1.3
155.08560	3.9
157.06526	3.0
157.10133	11.7
159.08075	2.6
159.11723	7.7
161.09618	8.1
161.13196	1.7
163.07637	1.5
163.11180	10.1
165.09103	3.4
167.08530	2.9
169.10143	4.8
171.07997	2.8
171.11736	5.3
173.09642	3.0
173.11775	4.8
173.13205	3.1
175.11182	10.3
177.12784	4.8
181.10150	2.7
183.11681	3.5
185.09715	3.7
185.13319	2.9
187.07916	1.8
187.11189	4.4
187.14716	1.8
189.09268	6.4
189.11235	7.7
189.12779	2.8
193.12329	9.6
195.11789	2.5
197.13293	1.8
199.11227	3.6
201.12752	2.7
203.10725	9.6
203.12817	4.7
203.14476	3.2
205.12288	5.7
207.13705	2.7
213.12810	2.9
215.14407	3.0
217.12234	2.5
218.60437	1.3
219.13876	4.3
223.13293	5.4
231.13774	4.1
235.09930	1.5
237.14801	2.7
245.15269	2.1
249.12656	1.7
249.14777	7.0
251.11288	3.8
263.16571	1.4
267.15903	3.5
269.12372	14.9
270.12564	4.0
292.13974	3.0
301.21674	5.4
305.17538	1.6
307.12000	2.9
311.20053	15.9
316.12686	1.7
319.22787	1.7
329.21118	81.5
330.21515	3.6
340.15158	2.4
347.22198	15.5
365.23398	1.9
367.22705	2.6
377.23410	2.1
385.23590	8.4
403.24811	61.2
404.24847	3.8
421.25888	100.0
421.67859	1.9
422.25952	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	421.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01874	5.8
55.05511	28.0
57.03428	2.6
57.07074	7.9
59.04988	2.6
65.42384	0.7
67.05499	6.0
69.03426	13.4
69.07068	35.6
71.01351	2.7
71.04993	1.7
71.08631	54.6
73.02901	2.2
78.95715	0.6
79.05494	3.8
79.90907	0.6
81.03434	3.9
81.07067	5.6
83.08620	51.1
85.02900	21.2
85.05449	0.7
85.06520	0.7
87.00839	8.2
87.04464	2.2
90.17861	0.8
91.05478	3.0
93.07043	3.2
95.04978	4.2
95.08585	3.9
97.02891	12.0
97.10172	11.1
99.04445	2.6
99.08092	100.0
100.08427	1.2
105.01878	5.9
105.07021	2.1
107.04971	1.5
107.08595	2.9
109.02879	2.6
109.06486	1.0
109.10167	2.9
115.03928	16.9
117.07002	1.2
119.08575	2.8
121.06502	2.2
121.10146	1.8
123.08077	0.9
123.11717	0.8
125.02365	2.2
125.09604	0.9
127.03926	5.7
129.12753	9.1
131.08566	1.6
133.04973	2.4
133.10114	2.0
135.08125	0.9
135.11719	1.5
139.14810	5.5
143.03410	1.0
143.08534	1.1
145.04996	2.2
145.10175	1.2
147.11671	0.9
155.14319	2.6
157.10155	1.3
157.15886	9.1
159.11691	0.8
161.04439	3.4
165.09120	1.5
167.07071	1.7
173.15376	33.2
175.11163	1.3
179.10637	0.8
187.11153	0.9
187.14795	0.8
189.09151	1.1
193.12286	0.9
201.03975	9.2
219.05005	6.8
247.04492	14.8
265.05545	1.4
289.75024	0.9
311.20093	1.2
329.21140	5.2
347.22327	1.2
397.88004	0.8
403.24780	3.0
421.26093	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	421.1682
Annotation	Pomiferin
Peak:m/z	Relative Intensity
55.05496	0.8
55.44897	0.6
56.05021	0.8
60.04538	0.7
66.82151	0.5
69.03438	1.2
69.07074	1.0
69.83708	2.7
70.06587	1.4
71.04993	1.5
72.08159	1.7
72.92857	0.6
74.06020	0.6
79.18991	0.6
81.07030	1.0
83.06100	1.0
84.04505	0.8
85.02913	2.5
86.09709	1.0
87.00803	0.6
87.08138	0.5
87.80232	0.6
91.05455	0.6
97.02888	1.0
98.76031	0.6
98.97578	2.3
99.05547	0.8
105.07027	1.3
110.92822	0.6
110.97600	0.6
113.07161	0.9
116.98632	1.7
146.99669	0.9
158.99724	1.0
228.07547	1.2
237.02853	3.0
241.07497	1.3
275.11115	5.0
291.07529	0.8
293.10788	1.1
309.08676	1.9
361.11826	1.0
421.16824	100.0
422.17194	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	421.128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25898	2.4
56.96558	10.3
57.03442	4.3
61.02931	5.2
65.03934	6.7
67.00119	2.1
67.05509	17.8
69.03426	10.1
70.06580	6.8
71.33287	3.6
74.06095	3.4
76.58224	2.5
81.03426	7.0
84.04488	2.8
85.02905	30.6
86.06035	2.4
86.09713	3.3
87.71756	2.2
93.03414	5.5
95.04963	7.4
97.02885	18.6
98.97585	33.4
99.02707	6.7
100.02211	11.7
106.06581	2.7
109.02898	6.6
109.69909	2.4
116.98630	27.9
119.01897	3.3
124.07596	3.0
125.00602	11.4
126.05563	3.4
127.02146	100.0
127.03930	6.4
128.98645	2.4
134.06007	10.4
134.99655	15.4
136.07666	2.6
136.23012	2.2
138.05495	33.3
140.05260	3.9
143.01723	4.5
145.03351	2.6
145.04964	3.6
146.02670	10.9
146.99701	3.9
148.07570	2.8
150.05579	3.6
152.07098	9.3
152.99983	5.5
155.01752	2.9
155.04662	2.8
158.99651	17.6
161.02985	5.7
161.79640	2.2
166.03267	3.2
166.72878	2.4
168.04861	7.4
170.02725	60.2
170.04112	3.5
171.01131	10.1
173.12798	2.7
176.07051	4.6
177.00710	33.2
180.06549	55.1
184.04305	8.2
195.01691	3.1
196.04364	6.7
204.06619	8.0
212.03766	99.4
213.07010	10.6
215.33060	2.7
219.01799	11.0
219.05351	2.4
236.03807	9.8
237.02879	8.8
242.04880	13.6
246.07639	5.4
255.08049	9.4
259.07571	47.3
260.05634	2.6
278.04846	3.7
282.10159	3.0
284.05942	17.4
301.08493	40.4
303.07474	6.0
309.08701	7.3
314.06909	3.2
321.08505	12.7
325.08466	5.2
337.08505	7.3
367.09766	3.6
375.12143	6.7
403.09973	2.5
421.04175	4.1
421.12778	93.0
422.12906	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	420.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.3
55.01876	0.5
55.05516	1.1
57.03426	0.6
57.07078	1.9
60.60273	0.4
61.02917	0.8
61.29947	0.3
65.03940	0.6
66.04360	0.4
67.05502	5.0
69.03431	2.8
69.07072	3.2
71.13114	0.9
73.02916	0.4
76.34173	0.4
79.05492	7.1
81.03426	2.0
81.07057	100.0
82.07391	1.2
85.02902	7.0
87.00840	2.5
91.03971	0.5
91.05467	0.7
93.07040	1.3
95.04972	0.7
95.08610	16.4
97.02899	5.5
97.06538	0.5
99.04447	1.0
105.01881	6.3
105.07016	0.8
107.08582	0.5
108.04523	0.4
109.02876	1.5
109.03619	0.4
109.10161	1.6
117.06963	0.4
119.08625	0.8
121.06570	0.5
127.03921	7.8
131.08594	0.4
133.10172	0.5
137.13258	24.9
138.13599	0.5
145.04970	5.7
147.57120	0.4
154.15970	0.5
159.02931	1.5
187.80377	0.5
193.12270	0.5
219.73976	0.4
223.27751	0.4
224.74129	0.4
231.04974	3.0
249.06143	2.1
284.09662	0.9
329.21451	0.8
421.25778	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	420.1864
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.7
56.08229	2.1
57.03440	14.4
61.02929	14.1
64.49244	1.8
69.03136	2.0
69.03432	23.9
71.01350	4.6
71.04521	3.8
71.04993	3.2
73.02917	73.4
77.93289	1.6
81.03406	4.3
81.07034	2.2
85.02906	57.8
87.04472	3.0
91.03948	2.9
91.05482	100.0
97.02892	63.5
99.04433	3.9
103.03948	2.1
103.40063	2.5
105.07022	7.6
107.08595	3.2
109.02861	6.2
111.04446	3.8
115.03180	2.1
115.03945	30.2
119.08581	4.2
123.08004	2.0
127.03912	20.8
129.07018	2.9
131.38013	1.9
133.04970	34.6
133.06470	10.0
145.03886	3.1
145.04958	36.4
145.06255	3.0
145.06465	4.1
145.10075	2.8
147.08015	1.7
149.25262	1.6
150.07642	4.3
153.09088	2.7
157.06514	5.2
159.08104	2.4
159.11720	2.0
161.04472	4.2
163.06062	19.2
165.09106	3.6
171.08139	2.3
187.07576	3.0
199.06047	3.1
205.08621	6.9
205.12207	3.9
217.08617	6.1
223.06027	6.3
223.13300	55.5
235.09650	3.6
241.07065	9.2
253.10686	4.4
259.08145	12.1
271.11685	2.3
277.09238	2.4
295.10226	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	420.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.6
55.01850	0.5
55.05513	1.1
57.03433	0.7
57.07053	1.6
61.02913	1.0
63.69874	0.4
67.05502	0.8
69.03419	2.5
69.07066	1.7
70.06584	0.8
71.04985	1.4
71.58822	0.5
73.67116	0.4
79.05492	1.1
81.03407	1.1
81.07065	3.3
83.04974	1.2
85.02908	6.3
85.06535	1.1
86.09636	0.6
87.00845	0.8
91.05505	3.1
93.07037	1.3
95.04974	0.8
95.08605	1.9
95.09185	0.5
97.02901	2.4
97.06565	0.5
99.08115	1.2
105.07027	6.9
107.08596	1.2
109.02889	0.9
109.06506	1.4
109.10165	0.6
111.08083	0.5
117.07001	2.0
119.08578	100.0
120.08910	1.9
121.06503	1.7
121.10109	0.8
123.08077	1.8
127.03920	1.3
131.08543	1.6
133.10124	4.8
135.08060	1.1
135.11693	1.6
137.09593	0.8
145.04930	0.7
145.10152	0.8
147.08043	2.3
149.09612	1.1
149.13255	0.8
154.25331	0.5
155.14319	2.2
156.14641	1.7
159.11685	9.6
161.13257	49.3
162.13611	1.5
163.11209	0.5
177.12737	12.2
195.13829	0.6
205.12234	62.6
206.12575	1.5
223.13287	40.3
224.13707	1.1
241.14377	1.4
279.07697	0.7
325.08078	2.4
343.09253	1.4
346.69031	0.6
371.08810	0.9
383.37152	0.5
420.18433	0.9
421.11264	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.8
55.01862	7.6
55.05513	18.9
55.76283	2.9
56.05281	3.0
57.07054	6.5
67.05497	34.7
69.07066	23.5
70.79647	6.8
70.80023	6.9
71.04967	6.2
74.22983	3.5
75.26280	3.3
79.05485	17.3
81.07057	38.1
83.04975	3.8
83.08616	8.3
85.06532	5.8
85.63214	3.2
88.34041	3.7
91.05473	14.4
93.07042	30.1
95.08609	45.8
98.57072	2.9
101.06004	4.4
105.07034	42.4
107.08596	40.1
109.06522	5.7
109.10162	100.0
109.10917	5.6
110.10504	2.8
111.08080	31.9
117.06987	4.7
119.08572	50.7
121.10133	38.9
123.11705	10.9
131.08572	12.3
133.10127	31.6
135.11685	23.0
137.09636	3.9
137.13239	4.9
143.08566	6.6
145.10110	11.1
147.11681	39.7
149.13297	15.8
157.10092	7.0
157.12209	4.7
159.11690	10.7
161.13272	30.3
163.14796	7.3
165.12729	3.6
169.10098	4.8
171.11732	4.5
173.13283	8.0
175.14862	11.9
179.14307	9.5
183.11739	3.9
185.13284	3.8
187.14841	6.4
189.16400	6.8
191.17999	4.1
193.15916	5.0
199.14861	4.7
201.16418	6.4
203.17990	25.7
215.17944	3.8
217.19511	37.1
229.19487	3.7
273.22070	4.1
285.25717	8.4
301.25406	5.9
357.35419	12.6
383.33200	21.8
401.34164	12.5
419.39175	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	419.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	7.1
55.01873	7.3
55.05519	4.4
56.96555	2.8
57.03439	7.6
57.07099	3.2
59.04996	3.4
61.02929	6.5
67.05507	11.3
69.03434	21.9
69.07076	8.0
70.06596	5.4
70.77070	9.7
71.04995	11.9
72.08166	5.1
73.02918	5.9
79.05486	5.6
81.03426	21.5
81.07080	13.0
83.04972	4.8
83.08617	4.0
84.08145	3.0
85.02908	55.6
85.06528	3.4
86.03240	7.2
86.09718	4.7
87.00838	24.8
91.05499	7.8
93.07064	26.0
95.04970	4.2
95.08623	24.2
97.02907	39.1
97.06532	9.0
98.03257	9.1
98.97593	4.1
99.04460	11.0
103.63442	2.7
105.01865	27.8
105.07042	6.3
107.04948	7.4
107.08598	28.1
109.02882	14.6
109.06539	4.3
109.10172	25.7
111.08071	4.3
116.98650	3.9
119.08603	5.2
121.02882	3.0
121.10166	6.4
122.03200	2.6
123.08099	3.9
123.11710	2.3
124.07587	4.3
127.03921	42.8
128.04265	10.4
129.01866	3.3
133.10152	6.3
135.08063	3.0
135.11708	56.2
136.11998	3.4
145.04955	21.3
145.10107	5.2
146.05241	5.1
146.06284	2.9
148.07552	2.5
150.09177	3.4
151.11188	3.3
153.05492	5.4
153.12758	100.0
154.05817	5.4
154.13126	3.7
159.02921	9.8
160.31895	2.8
161.05983	2.9
164.28847	2.9
167.07047	10.0
174.05525	3.3
181.04964	4.3
181.12233	3.6
220.02460	5.4
223.13319	10.1
231.05035	4.1
232.79561	2.7
233.05472	3.0
252.09372	10.6
252.59560	4.4
257.17410	3.8
259.09683	3.9
278.10239	6.4
285.09454	3.2
330.10861	3.2
387.11707	6.2
419.14569	4.7
419.23843	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	419.2641
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
50.95858	2.3
53.03935	2.7
53.90201	2.5
55.01875	2.6
55.05507	6.4
58.91437	2.7
67.05499	10.8
69.07069	8.6
70.80412	5.0
71.05000	14.3
71.54373	2.6
79.05512	13.3
81.07058	72.0
83.08630	4.7
85.02895	5.4
91.05461	7.9
93.07039	25.6
95.08619	22.8
97.02911	4.2
97.06530	3.4
97.10141	3.7
99.08073	6.4
105.07023	18.5
107.08599	39.0
109.10157	25.8
119.08584	33.8
121.10138	8.7
123.11722	16.6
127.11210	20.5
131.08615	3.4
133.10139	31.3
135.11693	100.0
137.13249	3.9
143.10667	21.9
145.10103	2.9
147.11673	20.9
149.13280	4.2
153.12756	3.5
161.13315	13.0
163.14867	4.9
175.14740	3.2
203.17952	51.9
221.19016	68.1
224.98341	2.5
239.20067	6.4
257.21152	8.4
296.73114	2.7
378.64441	2.7
387.74124	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.5
55.01870	3.4
55.03897	1.3
55.05518	1.6
56.96568	1.9
57.03432	2.4
59.04990	1.7
61.02937	3.1
66.77872	1.4
67.05502	5.6
69.03439	10.2
69.07070	3.7
70.06576	3.5
70.56654	5.2
71.04984	4.2
72.08156	3.5
73.02916	4.0
76.14667	1.4
79.05487	3.6
81.03423	10.3
81.07050	6.3
83.04955	1.7
83.08623	2.6
84.08159	1.7
84.97605	1.5
85.02904	29.9
86.09677	1.8
87.00832	14.1
91.05492	4.6
93.07049	19.6
95.04944	1.6
95.08618	21.9
97.02897	14.7
97.06535	6.5
97.60071	1.3
98.97630	1.4
99.04451	4.6
105.01862	13.8
105.07039	3.4
107.08599	28.1
109.02891	11.4
109.06545	1.5
109.10162	22.0
111.08094	1.7
121.10119	2.0
122.03207	1.8
127.03928	15.8
133.10120	1.6
135.11702	53.1
145.04974	7.8
153.12750	100.0
154.13136	2.6
159.02864	3.7
162.83131	1.5
167.07034	1.9
174.05396	1.7
220.02460	1.8
223.13211	1.9
231.05029	2.6
249.06079	1.6
252.09482	1.6
278.10168	2.1
315.08713	1.6
375.10175	1.8
434.08636	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67071	3.8
53.03936	12.0
55.01876	20.0
55.05503	16.2
57.03423	12.9
57.07075	64.7
57.26904	4.4
58.63100	3.8
59.04988	5.5
60.42853	3.7
61.02914	6.6
67.05504	11.2
69.03431	29.1
69.07065	20.2
70.06590	4.9
71.04975	7.5
71.11139	7.5
72.08144	4.7
73.02919	5.7
79.05489	14.9
81.03436	25.3
81.07059	60.3
83.04971	16.8
83.08613	5.9
85.02911	56.8
85.06527	27.1
85.15523	4.0
86.09691	9.5
87.00851	25.2
91.03952	3.9
91.05477	8.7
93.07024	13.1
95.04975	11.6
95.08595	27.7
97.02897	36.2
97.06551	7.6
99.04447	16.2
99.08091	62.0
103.14792	4.1
105.01855	17.7
105.07032	12.1
107.04940	4.6
107.08585	15.6
107.86643	4.3
109.02877	27.7
109.06515	17.9
109.10156	15.8
111.08092	13.4
117.06964	5.6
119.08582	61.4
121.06461	6.9
121.10114	4.4
123.08115	6.6
127.03909	48.6
127.11202	12.3
127.87766	4.5
131.08499	8.0
133.10115	4.6
135.08044	15.4
135.11746	5.6
137.05997	6.4
137.09622	11.2
137.13255	8.1
145.04990	30.0
145.06100	5.7
145.10104	5.1
149.09624	6.2
151.11191	17.8
153.12740	30.3
155.14299	100.0
159.02869	16.1
159.11682	9.8
161.13254	40.7
167.07062	12.1
168.07426	5.4
169.12193	8.1
171.13841	15.6
177.12770	18.2
195.13783	17.9
205.12288	32.1
208.09648	7.8
223.13211	27.2
231.04951	10.1
235.13322	7.3
267.34995	5.0
299.05603	5.4
315.13391	15.7
316.13693	4.7
329.71094	4.2
361.10562	6.6
361.33273	4.8
383.08429	4.4
410.14252	4.5
419.14896	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	419.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.3
55.05500	3.1
56.84924	2.8
67.05488	5.5
69.03429	5.5
69.07050	3.9
71.04958	3.4
71.59595	4.4
76.55592	2.7
79.05471	9.8
81.07043	10.0
81.66284	2.8
84.08130	3.8
85.02890	5.9
86.09734	2.9
91.05515	6.5
92.90552	2.6
93.07040	5.2
94.31409	2.4
95.04945	5.4
100.06134	2.9
105.07035	5.4
107.04938	14.8
107.08593	5.7
109.10127	5.3
117.06948	3.5
119.08553	6.2
121.10114	4.5
123.04436	5.8
131.08546	7.2
133.06403	3.6
135.07988	3.8
145.06450	8.0
153.12674	3.8
159.08072	7.9
161.05974	7.9
163.03889	3.8
167.07019	56.0
168.07436	5.6
173.05928	5.3
177.05389	2.8
180.07822	5.6
181.04936	10.7
181.08484	3.0
182.05435	3.0
187.07494	3.2
190.06171	3.6
191.06975	9.9
193.08569	3.1
195.06458	4.5
205.08527	9.4
207.06519	4.2
208.05197	13.9
209.08066	8.2
217.08582	14.5
219.10118	6.1
235.09575	5.3
236.04660	5.6
247.09659	12.1
249.11334	6.3
254.05699	7.8
263.10483	3.5
267.06598	3.2
269.08066	17.6
272.06802	3.8
282.08881	3.8
291.09985	5.6
315.08575	74.4
316.09134	6.6
330.10971	100.0
331.11530	9.5
343.11722	9.8
351.12152	13.1
369.13052	9.4
370.69534	3.7
383.14859	22.0
401.16034	18.9
419.16809	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	418.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68718	0.7
56.96556	1.1
61.02913	0.7
69.03432	1.4
70.00059	4.1
70.06600	1.0
72.08159	1.4
73.06529	1.3
74.06062	1.1
78.79202	0.7
79.05503	0.9
81.03422	0.9
81.04531	0.9
83.06051	0.7
84.04526	1.4
85.02908	4.8
86.09703	6.8
88.11274	2.2
93.07022	1.0
97.02882	1.6
98.21467	1.0
98.97604	0.9
103.05453	5.3
103.46967	0.7
107.04975	1.5
109.02835	0.8
116.98662	1.2
120.08115	100.0
121.08473	1.3
124.05214	0.7
127.03941	1.3
127.04955	0.7
128.98581	0.9
131.04944	2.3
133.06102	1.5
134.99548	0.8
145.04897	0.9
146.99680	0.8
149.05988	1.5
165.04263	1.3
166.08652	57.9
177.00763	1.0
177.04233	2.0
192.02924	0.9
193.03653	0.8
205.03688	4.8
210.03897	1.4
212.15121	0.9
219.01808	0.8
221.03165	4.9
237.02721	1.4
238.03583	1.7
246.14514	2.4
256.04572	4.1
256.11816	0.9
257.14999	1.2
268.16513	1.0
286.11792	0.8
292.09900	0.7
309.08487	0.8
419.16159	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	418.171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05477	0.4
55.45061	0.4
56.96563	1.1
57.03423	1.8
61.02919	0.5
65.03944	1.5
69.03432	0.8
70.00561	0.8
70.00967	1.7
71.04988	10.4
72.07178	0.4
73.02924	0.5
75.04493	0.7
80.26352	0.5
81.03431	0.7
83.04986	0.7
84.04513	0.6
84.08138	0.6
85.02901	16.3
85.06551	0.8
86.09692	1.4
87.04468	1.1
92.05013	1.1
95.71383	0.4
97.02891	1.4
98.97583	0.6
109.02888	0.5
110.06037	100.0
111.06384	1.1
116.98631	1.1
127.03938	0.9
129.05464	3.2
137.43823	0.5
145.04910	0.5
146.99625	0.6
147.06453	0.6
150.05530	0.5
152.07039	0.5
158.99756	0.4
161.04669	0.8
174.00760	0.7
177.00740	0.7
177.04263	0.6
200.10410	0.5
219.01810	0.5
233.06787	0.6
237.02832	1.4
272.11279	21.1
278.10248	1.8
296.40475	0.6
418.17062	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	418.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	10.2
53.20398	2.4
55.01876	15.1
55.05513	3.8
56.96562	3.7
57.03437	9.1
61.02934	7.3
67.05507	7.8
68.99789	4.2
69.03427	36.4
69.07082	2.6
69.36123	27.4
70.06593	3.6
71.04991	8.4
72.08157	3.6
73.02921	12.2
77.91113	2.9
79.05503	3.4
81.03419	29.5
81.07063	6.2
83.04956	3.5
83.08639	3.0
85.02905	83.2
86.09692	4.3
86.65569	3.1
87.00826	38.0
91.05479	6.3
93.07057	9.3
95.04981	5.6
95.08611	6.3
97.02891	100.0
97.06528	2.7
99.04458	22.6
105.01868	44.0
105.07056	6.3
107.08597	7.9
109.02876	28.1
109.10138	5.2
115.03949	3.0
117.01883	5.5
121.02862	32.7
121.10133	6.1
127.03918	94.6
129.01881	4.6
133.10110	4.6
134.10455	3.3
135.11722	3.4
137.06052	3.9
145.04956	63.8
145.10138	3.2
150.09163	2.6
151.07489	3.3
153.05472	34.6
153.12775	3.4
159.02872	26.1
167.02379	3.7
167.07079	15.6
168.07448	12.4
173.05994	3.9
174.06322	2.9
181.04990	7.0
207.13730	2.8
218.09053	4.6
231.04999	15.6
252.09502	7.7
256.06952	2.7
265.11874	8.2
301.21481	4.0
318.21252	3.1
388.14648	5.1
400.18900	4.1
418.15717	9.5
432.52179	3.1
441.61905	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	14.7
57.07055	4.7
67.05512	30.4
69.07069	18.3
71.05003	9.2
71.60509	7.6
79.05501	28.6
81.07069	41.1
83.08607	11.6
85.06562	7.3
85.20200	4.1
87.79833	5.1
91.05493	37.5
93.07051	52.3
95.04981	9.4
95.08627	38.1
96.64938	4.5
97.06552	9.2
102.61177	4.7
105.07039	81.2
107.08598	53.3
109.06532	100.0
109.10164	30.3
111.08093	18.5
117.07056	15.4
117.94659	4.8
119.08587	78.9
121.06533	5.9
121.10158	60.0
121.16258	3.8
123.08096	15.5
123.11710	15.8
123.52319	4.9
125.09718	6.0
128.06241	8.5
129.07040	13.8
131.08569	44.4
133.10135	71.4
135.08055	17.9
135.11710	39.1
137.09686	6.1
137.13161	5.9
141.06969	6.3
142.07796	19.2
143.08615	28.5
145.10141	58.6
147.08084	22.2
147.11720	16.4
149.09688	8.6
153.07063	6.1
155.08569	19.4
156.09381	15.9
157.10159	45.8
158.10791	4.9
159.08145	10.5
159.11711	19.7
161.09642	16.6
161.13252	6.2
165.07036	6.2
167.08617	5.3
168.09361	5.7
169.10094	26.5
171.11737	28.7
173.09624	10.6
173.13266	25.3
175.11165	12.1
175.14827	13.1
179.08600	7.4
181.10178	20.1
183.11708	28.6
185.09650	12.6
185.13281	16.9
187.11131	8.3
187.14841	17.0
189.16389	6.7
193.10193	15.8
194.10922	9.2
195.11728	17.2
197.09622	10.4
197.13339	18.9
199.11223	14.5
199.14813	11.0
201.12769	8.9
201.16487	6.2
205.09993	7.0
206.10997	9.7
207.11755	19.1
209.13327	24.0
211.11195	13.4
211.14934	15.7
213.12839	8.8
213.16454	8.9
219.11771	10.7
220.12520	10.9
221.13339	13.3
223.11380	6.4
223.14870	12.0
225.12912	6.9
227.14511	6.6
231.17627	6.6
233.13268	10.4
235.14853	13.0
237.12737	9.6
237.16444	11.2
239.18062	6.0
241.16118	5.2
241.19533	9.6
244.12436	5.4
246.14093	9.0
247.11438	4.9
247.14911	6.6
249.16406	6.6
253.15894	9.5
257.13184	6.8
267.14133	5.2
275.17865	8.4
277.16016	11.5
297.21964	6.1
335.68582	5.2
357.25937	10.8
359.23724	13.8
361.21994	6.6
375.26993	14.4
394.82434	4.7
399.26843	26.4
399.31714	7.9
417.27899	93.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2636
Annotation	vibsanin B
Peak:m/z	Relative Intensity
55.05508	73.7
55.83199	8.9
57.03432	11.7
57.07082	10.4
67.05504	81.4
69.07053	16.7
70.70141	9.0
71.60435	10.4
76.73309	9.0
79.05494	30.0
81.07042	68.9
83.04967	83.7
83.08619	12.6
85.06538	11.7
85.18665	8.4
88.39822	8.3
88.70126	9.5
91.05470	33.6
93.07032	48.2
95.08601	92.6
97.02819	14.2
97.06505	15.2
98.84887	8.1
98.98465	32.5
105.07038	59.0
107.08590	58.2
109.06525	16.8
109.10158	74.8
111.04427	20.8
111.08109	13.3
112.43148	9.6
113.00039	10.2
117.07021	9.1
119.08581	100.0
121.10126	49.4
123.08151	12.3
123.11686	16.9
131.08578	20.6
133.10152	59.8
135.08073	15.3
135.11700	21.9
137.09630	23.9
143.08525	14.0
145.10094	45.1
147.11761	43.9
149.09686	9.7
149.13272	20.9
151.11189	11.6
155.01059	39.8
157.10135	30.5
159.11711	26.9
161.13211	17.6
163.11249	12.4
163.14873	17.9
169.10115	14.8
171.11658	19.6
173.09592	10.3
173.13278	22.3
175.14835	11.5
183.11703	17.1
185.13248	12.0
199.14813	9.7
201.16388	10.4
220.12444	12.2
223.22177	9.1
236.15588	10.1
239.17934	13.8
253.19579	15.2
257.19232	12.0
263.23706	20.3
271.20633	10.0
281.19473	10.4
299.19907	52.7
317.21127	99.4
318.21994	9.1
350.17426	11.4
351.75095	11.2
417.26892	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	43.5
61.48628	8.2
65.03941	8.3
67.05498	43.8
69.03437	10.3
69.07067	31.2
71.59807	16.4
71.60171	9.6
75.21139	7.3
79.05488	26.9
81.06659	9.2
81.07066	59.1
83.04986	62.3
83.08624	13.2
88.79389	8.3
91.05493	32.8
93.07040	43.2
95.04984	18.9
95.08612	59.3
97.06509	22.2
105.07028	60.8
107.08602	51.6
109.06530	27.4
109.10171	50.6
111.04429	27.7
111.08088	19.9
117.07060	12.6
119.08569	100.0
121.06536	11.8
121.10130	55.1
123.08077	16.5
123.11726	20.3
131.08562	33.1
133.10141	65.0
135.08055	22.4
135.11720	27.9
137.09616	14.9
139.29192	8.9
142.07832	12.0
143.08583	21.4
145.06537	7.9
145.10132	42.3
146.04764	8.1
147.11679	38.6
149.13339	15.1
150.59163	8.2
151.11134	15.6
153.09117	8.5
155.08624	7.6
157.10089	24.2
159.11720	36.3
161.09737	11.6
161.13350	13.3
163.14885	16.3
165.09076	11.7
171.11710	30.8
173.09738	13.5
173.13315	13.2
175.14952	10.3
176.93750	7.3
183.11745	19.7
185.13263	15.3
187.14870	11.5
195.11728	9.4
199.14954	10.8
203.10646	10.8
225.12752	11.3
239.17905	13.6
245.15424	10.3
253.19618	11.4
257.19012	15.9
275.20239	16.1
281.18930	16.5
293.38586	8.5
299.20184	63.0
314.56516	10.1
317.21112	99.5
356.35513	13.3
417.27588	27.1
418.38831	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	417.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	1.2
55.05516	5.4
57.03432	10.2
61.02916	2.5
65.03918	1.2
67.05497	2.7
69.03424	5.6
69.07057	1.6
70.06586	5.5
70.43414	2.1
70.43814	2.6
71.04990	35.5
72.08155	3.6
73.02903	6.2
75.04483	10.6
75.82665	1.1
79.05471	1.9
79.64827	1.1
80.62289	1.0
81.03424	2.0
81.07055	2.4
83.04973	10.4
85.02901	100.0
85.06528	1.2
86.06071	1.2
86.09240	1.5
86.09696	7.3
87.04469	1.8
91.05479	33.1
93.07018	2.7
95.04967	3.6
95.08614	2.7
97.02876	11.7
98.97558	1.2
99.04485	2.9
101.06012	1.6
103.23925	1.2
105.07020	4.7
105.07681	1.2
107.04934	1.3
107.08582	1.5
109.10172	2.1
111.04433	5.1
111.08121	1.2
117.07025	1.9
119.08587	3.1
121.10164	1.5
123.11726	1.3
127.03924	5.0
129.05479	29.0
133.06506	3.1
133.10135	2.2
137.09642	1.3
145.04938	2.7
145.06549	1.2
147.06516	24.7
147.11688	1.3
163.05928	1.6
165.07582	1.3
167.07010	1.5
173.13290	1.8
187.10823	1.8
203.13901	1.6
215.10240	1.7
217.08510	2.1
237.14929	1.3
255.08766	1.4
299.19846	1.4
309.11725	1.7
317.21030	2.4
417.16495	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	417.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	3.5
56.96559	1.1
57.03439	12.0
59.04982	1.2
61.02912	2.0
67.05513	1.6
68.52749	1.1
69.03424	4.7
69.54469	6.5
69.54894	3.0
70.06590	6.8
71.01388	1.5
71.04995	41.3
72.08149	4.2
73.02920	2.2
75.04480	11.8
81.03426	2.4
81.07047	3.7
83.04991	10.4
84.04493	1.1
84.08096	1.2
85.02907	100.0
86.03230	1.1
86.06069	1.3
86.09708	12.2
86.10182	1.6
87.04442	1.0
88.03989	1.1
90.18170	1.1
91.05480	31.7
93.07019	3.6
95.04967	3.5
95.08593	1.9
97.02903	10.4
97.06517	1.3
98.97584	2.3
99.04474	2.0
101.06019	2.0
101.19707	1.1
103.03917	1.5
105.07010	4.1
107.04905	1.7
107.08593	3.2
109.02925	1.3
109.06518	1.2
109.10122	1.8
111.04436	4.7
111.08138	1.5
115.03949	1.1
116.98611	1.5
117.07001	1.7
119.08588	1.3
121.10161	3.3
127.03899	7.0
129.05484	31.6
129.06944	1.4
132.10210	1.3
133.06519	1.4
133.10147	3.1
135.08055	1.4
135.11685	1.4
136.07559	1.6
138.28070	1.2
143.11836	1.7
145.04951	3.1
145.06494	1.5
145.63510	1.0
147.06529	26.0
147.11693	1.3
151.11133	1.3
153.89459	1.3
165.07585	1.2
167.07063	2.7
173.13284	1.6
175.07423	1.7
177.00716	1.3
187.10799	3.3
191.14264	2.0
197.11736	1.5
215.10291	1.8
217.08562	1.9
219.02902	1.4
223.09035	2.4
237.14940	2.0
255.08556	2.4
309.11853	2.7
417.15622	2.7
417.28784	1.4
441.12051	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	417.1181
Annotation	Daidzin
Peak:m/z	Relative Intensity
55.05497	0.3
59.45164	0.1
66.92511	0.1
67.01842	0.5
67.05489	0.3
68.99477	0.1
68.99805	0.3
69.03409	0.2
69.07070	0.2
69.45883	1.0
77.03947	0.1
79.05503	0.2
81.03410	0.1
81.07047	0.3
83.08615	0.1
85.02906	0.2
85.85840	0.1
91.05486	0.2
93.07037	0.3
95.04938	0.2
95.08583	0.3
97.02895	0.3
97.06532	0.2
97.10186	0.2
103.05457	0.6
105.03378	0.3
105.06991	0.2
107.04958	0.2
107.08596	0.3
109.06540	0.1
109.10140	0.3
119.08584	0.2
121.10147	0.2
123.04445	0.2
123.08071	0.1
127.60896	0.1
129.01842	0.1
129.03392	0.6
131.08542	0.2
133.10146	0.7
134.10439	0.5
140.49268	0.1
145.06491	0.2
145.10107	0.3
147.04385	0.4
153.01828	2.7
157.10118	0.1
165.85037	0.1
167.07057	1.4
171.02925	0.5
173.05931	0.2
181.04976	0.5
181.06372	0.1
187.07526	0.3
202.36581	0.1
209.05962	0.4
213.05470	0.2
231.06627	0.2
255.06512	100.0
256.06851	2.8
279.20306	0.1
387.14307	0.2
417.11642	0.4
417.15689	0.4
417.21390	0.3
417.26248	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	417.0645
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97661	0.4
56.03141	0.5
56.96519	1.8
57.03422	0.5
69.03428	0.6
69.62121	3.1
70.00246	0.4
71.35322	0.4
81.03365	1.5
95.45883	0.4
97.02847	0.9
98.97590	5.0
109.02886	3.7
116.98629	3.7
119.01935	2.9
120.95430	1.7
128.98628	0.5
129.89511	0.5
131.01901	0.7
132.63077	0.5
133.03438	0.8
134.24846	0.5
134.99596	1.6
137.02933	0.8
138.96375	1.5
142.73985	0.5
145.03458	1.2
153.00705	0.5
156.97482	23.4
157.03398	1.1
174.98546	29.0
175.04565	0.7
175.98608	1.1
180.97429	3.4
182.99059	11.8
194.99049	10.7
196.96950	1.8
198.00056	1.0
198.98535	29.9
199.98698	1.7
201.00108	15.1
202.00143	1.0
202.98032	0.6
203.03922	0.7
206.00677	0.8
206.98907	0.6
210.98523	1.3
213.00095	40.8
214.00224	1.9
216.99623	7.5
218.99026	0.7
221.04987	0.8
222.98517	5.3
225.00058	1.9
231.01147	5.8
237.00034	1.6
239.06079	0.8
240.99570	5.7
246.98485	0.7
259.00677	1.6
264.99646	1.4
274.97461	2.0
277.00760	0.5
283.00687	2.2
283.92560	0.5
288.92191	1.5
292.98627	2.1
301.01697	90.2
302.01862	3.9
319.02737	10.0
337.03796	0.6
342.04413	1.3
357.04330	100.0
358.04520	7.3
375.05408	9.4
376.05685	0.8
393.06656	1.5
398.07141	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	416.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.5
55.05514	7.8
55.73319	0.4
56.05027	1.0
57.03423	0.8
58.06602	3.9
65.03928	0.9
67.05508	12.2
67.21379	0.4
69.03384	0.5
69.06733	0.5
69.07065	6.3
69.56863	3.6
70.06594	28.8
78.04692	0.8
79.05501	3.4
81.03370	0.4
81.07056	14.9
82.06570	0.8
83.08230	0.4
83.08624	3.9
84.08113	1.4
85.02901	1.1
86.06062	0.8
91.05469	1.1
93.07034	2.8
95.04939	1.1
95.08609	14.4
96.08112	1.0
97.02873	0.5
97.06493	1.3
97.08912	0.9
97.10126	1.9
98.09693	3.0
103.05451	0.7
105.07051	0.9
107.04906	1.2
107.08573	2.1
109.10155	5.8
110.09658	1.3
114.09149	1.5
115.05436	1.0
117.06977	2.1
119.08543	0.7
121.10131	1.4
123.04445	2.5
123.11692	1.1
124.05200	0.8
127.05466	0.7
135.11641	0.8
137.05981	0.8
145.06482	3.5
152.04646	0.9
155.05960	0.8
157.10130	0.6
158.03345	0.5
167.07047	34.1
168.17513	1.2
171.06575	0.6
173.06010	6.3
181.04973	8.6
184.16997	0.9
205.08609	1.4
222.22144	0.9
233.08046	2.2
235.09702	1.1
250.25301	71.0
251.25729	0.8
266.24786	66.2
267.25104	1.3
268.26358	58.4
269.26654	1.3
276.23260	2.5
284.25842	50.0
285.26178	0.7
294.24286	10.2
312.05750	0.6
312.25314	9.5
330.26456	3.3
340.09079	0.6
352.83752	0.5
372.27444	12.4
387.14340	4.2
416.26440	100.0
417.15469	12.6
417.26926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.7
55.05509	6.9
56.05037	0.9
57.03418	1.4
58.06591	2.6
60.98300	0.6
65.03937	2.3
67.05502	11.7
69.03441	3.2
69.07064	6.6
70.06593	20.9
70.78152	1.9
71.04980	0.8
78.04720	1.8
79.05488	5.3
81.03433	1.2
81.07058	13.6
82.04230	0.9
82.06595	0.6
83.04975	0.7
83.08607	3.9
84.08121	1.1
85.02903	1.9
85.06551	0.8
86.06068	2.3
86.09690	1.9
91.05475	2.6
93.07024	3.4
95.04976	1.7
95.08604	14.8
95.37761	0.7
96.08121	1.7
97.06524	2.0
97.08920	0.8
97.10184	1.7
97.63886	0.7
98.09725	4.1
98.55301	0.6
103.05453	2.2
105.06992	1.6
107.04944	4.5
107.08602	2.5
109.06519	1.1
109.10143	6.7
110.03686	1.5
110.09692	1.3
111.04456	0.9
114.09197	1.3
115.05477	1.6
116.10757	1.5
117.07036	4.3
119.04934	0.7
119.08586	1.4
121.06502	0.8
121.10124	1.3
123.04430	4.2
123.08038	0.7
123.11718	1.3
124.05224	2.6
125.06001	1.2
125.09639	0.9
126.19604	0.6
129.06979	0.6
131.04916	2.2
132.37280	0.6
133.06471	0.7
133.10158	0.8
135.08090	0.8
135.11674	1.2
137.05991	1.3
139.07590	0.7
140.11555	0.7
141.06610	0.6
143.04793	0.9
145.06497	5.8
145.10080	0.8
148.05205	1.7
149.05928	0.9
151.03899	1.1
152.04715	1.5
153.01854	0.9
155.06097	0.9
161.06004	0.9
163.07533	1.9
163.49367	0.6
167.07036	67.4
171.06575	1.7
173.05984	9.3
181.04951	34.4
183.04840	0.9
184.16917	1.0
187.07542	0.7
189.06895	0.7
191.07008	6.6
195.06573	0.9
205.08652	3.0
209.78061	0.6
217.08586	1.0
219.10138	1.0
233.08089	4.7
235.09657	2.8
239.10954	1.5
240.11331	2.1
250.25304	54.4
251.25632	1.4
266.24783	53.2
267.25113	1.4
268.26343	49.8
271.05984	6.4
276.23209	1.6
284.25833	41.3
294.24274	7.6
312.25275	8.8
318.19165	3.1
330.26465	4.6
336.64310	0.6
372.27463	12.5
381.13705	1.1
387.14374	8.3
399.14651	1.8
416.26437	100.0
417.15533	28.8
417.20898	4.0
417.26782	2.3
426.84473	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05476	2.4
57.03431	2.5
67.05501	3.9
69.07048	5.7
71.20742	5.2
71.21099	2.3
79.05507	11.4
81.07066	4.2
91.05437	2.4
97.06536	100.0
106.84160	2.4
109.10157	3.1
119.08576	3.3
121.10125	2.9
171.07976	2.7
189.09085	2.8
199.07504	2.8
213.09079	3.3
215.10632	7.3
241.12277	6.4
257.15256	2.8
262.22568	2.8
271.13394	4.6
283.80972	2.5
285.14853	7.2
311.16360	3.0
315.16028	12.4
319.17120	3.2
333.29440	2.6
337.17902	9.2
353.21164	10.6
355.18991	7.8
361.47369	2.6
362.99698	2.6
363.19455	4.6
381.20468	9.5
415.06192	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	416.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33829	1.8
55.00247	1.8
55.05512	1.8
57.03438	3.7
57.33888	1.6
58.35894	1.6
67.05494	4.4
68.16426	1.8
69.07054	7.9
74.53184	1.7
79.05489	11.2
81.03421	2.3
81.07039	2.7
90.72192	1.9
93.07036	2.7
95.08595	3.2
97.06533	100.0
98.06837	2.1
98.20686	4.1
105.06973	3.0
109.06520	2.0
119.08511	2.2
123.04407	2.3
123.31387	1.8
130.86684	1.7
151.07532	2.1
161.05966	2.4
169.10188	1.8
171.08046	2.1
173.05989	4.0
175.07501	2.2
177.03954	1.9
185.09627	1.9
189.09047	3.8
193.10153	2.3
199.07510	3.6
201.09158	4.5
209.09764	2.0
210.19255	2.0
213.09064	3.5
215.10686	8.1
216.11252	1.7
219.10088	4.3
223.07706	2.2
239.10861	2.4
239.14310	1.9
241.12187	6.9
243.13770	2.3
247.13348	3.3
251.10849	1.9
255.13847	2.9
257.15515	3.2
259.13370	3.8
267.13831	3.5
269.11700	3.5
271.13400	5.8
281.19409	1.8
285.14822	6.2
301.14304	2.0
311.16483	3.6
315.15927	10.9
337.17969	10.0
353.21170	13.5
355.19043	9.5
381.20627	16.2
399.21457	3.1
416.36322	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	416.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	7.5
56.96548	6.1
57.03432	11.2
69.03431	12.2
69.07071	5.1
69.84427	29.4
70.06576	10.5
70.78143	3.7
71.05003	63.7
71.81768	4.3
72.08162	27.4
73.06552	13.2
83.04985	8.5
84.04501	6.6
84.08141	9.6
85.02424	7.9
85.02910	100.0
86.09699	51.3
89.07121	5.3
91.07590	9.4
97.02904	13.4
98.21491	5.0
98.97612	5.0
105.07003	5.6
116.98656	4.3
119.08545	5.0
122.15100	4.4
127.03896	10.5
129.05481	47.1
129.10236	6.0
137.05948	4.7
145.04974	12.6
147.06534	26.8
156.41035	4.4
164.93852	4.2
177.00931	5.9
227.17494	5.4
228.13409	5.6
237.02847	6.6
237.13269	4.5
246.14616	4.4
297.79578	4.2
344.29224	4.2
354.05499	4.3
359.18951	4.1
404.26654	4.3
405.24966	4.3
416.15338	7.6
417.08130	5.5
417.17551	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	416.1914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01870	0.2
55.05498	0.5
56.64414	0.2
58.06587	0.2
67.05488	0.3
69.03419	0.3
69.07065	0.4
69.97787	1.0
74.48446	0.2
79.05481	0.4
81.03400	0.3
81.07037	0.6
85.02896	0.9
87.00812	0.3
91.05476	1.5
93.07031	0.5
95.04998	0.3
95.08585	0.6
97.02878	0.4
105.07028	4.4
107.08588	0.4
108.04448	0.2
109.02858	0.4
109.10178	0.2
115.03927	0.2
115.05434	0.5
117.07027	0.6
117.35083	0.2
118.07803	0.5
123.58468	0.2
127.03920	0.6
131.08583	1.0
133.10126	100.0
134.10469	1.3
135.11682	0.5
143.03391	0.3
147.11690	0.8
147.32823	0.2
148.02130	0.3
150.12790	0.7
159.02916	0.2
159.11693	0.4
165.12804	0.2
167.07033	0.7
167.45871	0.2
171.11761	0.2
175.11182	1.1
181.04993	0.4
187.11223	0.3
217.12202	0.5
223.11189	0.3
241.12227	0.8
248.07597	0.2
255.06578	0.8
259.13596	0.2
284.07559	0.3
320.62747	0.2
323.94141	0.2
340.09106	0.2
363.14102	0.3
416.15552	0.3
416.26312	0.2
417.15433	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	416.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
54.05111	0.1
55.05495	0.2
57.03427	0.1
59.05005	0.2
67.05498	0.2
69.03434	0.7
69.29602	1.0
73.02917	0.1
79.05511	0.5
80.05007	0.3
81.03410	0.6
81.05795	0.3
81.07072	0.5
81.70553	0.1
85.02896	0.6
86.09706	0.3
87.00809	0.2
91.05465	0.3
92.06250	0.2
93.05771	0.2
93.07038	0.1
94.06572	1.0
95.04965	0.2
95.08609	0.3
97.02879	0.3
97.06536	0.3
99.04464	0.2
103.05450	0.1
103.07574	0.4
104.03503	0.1
104.04959	0.1
105.07031	1.3
106.06548	0.8
106.07259	0.2
107.07337	5.2
107.08494	0.2
109.02883	0.3
109.06509	0.1
110.09682	0.2
113.55296	0.1
117.05727	0.3
119.08548	0.1
120.08099	0.3
121.08887	0.6
122.06036	0.2
122.09668	9.5
123.04416	0.2
123.10033	0.1
124.07574	0.1
127.03902	0.4
132.08133	0.2
135.06804	1.8
138.09114	0.3
140.10692	0.1
145.04939	0.1
150.09140	100.0
151.09483	2.0
163.13303	0.3
167.06998	0.5
168.10204	1.8
173.05966	0.1
181.05014	0.2
219.10184	0.1
255.06519	1.4
416.15759	0.2
417.15903	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	415.1006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76591	3.8
56.96547	7.6
58.66175	4.4
61.02921	10.4
69.03426	13.2
70.89595	13.4
70.89953	4.0
73.02909	6.0
74.90977	4.5
81.03418	5.1
85.02895	30.4
91.45702	4.4
97.02879	13.2
98.97589	22.9
112.89627	4.8
116.98633	13.7
117.97147	4.0
119.01843	7.5
127.03913	7.4
128.02298	6.2
128.98613	4.9
131.00130	4.3
134.99747	5.6
136.94022	18.6
144.11229	4.0
145.04982	5.9
146.99677	4.8
153.01212	4.7
158.99629	8.1
170.99666	5.9
171.52338	4.1
177.00775	8.2
193.00081	5.1
201.00655	5.1
213.03348	25.6
219.01750	11.7
222.03870	17.9
237.02838	10.2
253.48686	4.1
264.04901	6.3
273.07367	10.8
281.02057	4.3
294.06119	28.8
303.06500	8.9
329.03989	8.8
365.03818	5.4
373.04462	6.4
415.09885	100.0
416.10437	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	414.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
53.87300	0.3
55.01870	0.7
55.05510	2.1
56.05022	0.5
57.07063	0.3
62.06081	1.0
65.80796	0.3
67.05505	3.8
69.03413	0.6
69.07065	1.4
69.29059	1.6
69.29482	1.7
70.06578	0.9
71.04986	0.7
71.07372	0.8
71.08627	6.8
72.08155	2.5
81.03387	0.3
81.05877	0.3
81.07056	3.2
82.56371	0.3
83.04988	0.4
83.08612	0.6
84.04508	0.5
84.08157	1.6
85.06573	0.3
86.06067	15.8
91.05479	5.2
93.07037	3.9
94.06554	0.5
95.04936	0.4
95.08606	9.4
96.08133	5.6
97.06511	0.5
98.06055	2.0
98.09692	7.6
98.21512	0.6
99.04443	1.7
99.08091	3.4
101.02386	0.3
105.07034	1.1
107.08594	1.3
108.08118	3.3
109.10151	2.5
109.41292	0.3
110.06033	0.3
110.09669	0.8
111.08105	0.3
113.08408	0.6
114.09180	1.3
116.10729	46.6
117.06987	0.3
117.11015	0.7
119.08581	9.1
121.08868	0.6
121.10139	0.4
122.09656	2.6
123.08055	1.0
124.07560	2.3
126.09135	0.5
128.19670	0.3
129.07001	0.3
134.09698	0.3
135.08070	0.5
135.11674	0.3
136.11224	1.0
137.09616	5.2
138.09148	0.6
139.09889	0.3
140.10712	0.8
142.08623	3.5
142.12271	0.8
143.10672	7.0
144.23729	0.3
147.08032	2.1
152.10750	0.4
154.12224	0.6
154.15939	3.0
155.10606	0.4
164.14342	0.6
165.09143	0.9
166.15904	2.1
168.17499	0.7
178.15900	1.1
181.37634	0.3
183.13800	0.5
184.13373	0.3
185.11703	0.4
196.16978	7.5
208.13361	0.3
209.11787	0.7
214.18016	100.0
215.18350	3.6
220.17010	0.6
227.12862	0.8
234.18680	0.3
236.20094	0.8
238.17906	1.5
244.15411	0.4
245.13837	2.2
247.62300	0.3
247.68422	0.3
250.18159	0.3
252.16330	0.3
252.19492	0.3
254.21124	5.1
256.19046	2.5
262.18027	0.6
280.19067	6.2
298.20142	6.5
299.20328	0.3
316.21182	66.2
317.21469	4.0
378.26505	0.4
383.12247	0.3
396.27325	1.6
397.27899	0.3
414.28491	29.3
415.14728	0.6
415.28726	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.2
55.05513	0.9
56.05029	0.1
56.96538	0.1
57.07073	0.2
62.06079	0.4
64.04813	0.1
65.03925	0.1
67.05509	1.1
69.03423	0.3
69.07065	0.8
69.34740	0.4
69.35171	0.9
70.06586	0.4
71.04984	0.3
71.07349	0.1
71.08637	5.3
72.08157	1.1
73.02906	0.2
79.05499	0.7
81.03411	0.2
81.07056	1.7
82.06563	0.2
83.04983	0.2
83.08611	0.3
84.04485	0.4
84.08147	1.0
85.02904	0.1
85.06548	0.1
86.05579	0.2
86.06068	2.8
91.05476	1.8
93.07036	1.2
94.06558	0.3
95.04971	0.3
95.08609	3.2
96.08133	2.3
96.08787	0.2
97.02892	0.1
97.06513	0.3
98.06059	0.7
98.09693	2.5
99.04465	0.7
99.08102	2.3
105.07035	0.5
106.77847	0.1
107.08581	0.5
108.08128	1.4
109.10176	0.8
109.10795	0.1
110.09686	0.4
112.07639	0.2
113.08408	0.3
114.09168	0.4
116.10736	15.0
117.07029	0.2
117.11108	0.1
119.08582	2.3
121.08904	0.3
121.10138	0.2
122.09682	1.3
123.08070	0.2
124.07545	0.6
126.09139	0.4
127.34752	0.1
133.10143	0.1
135.10443	0.3
136.11237	0.6
137.09627	1.4
138.09126	0.3
140.10712	0.6
141.04964	0.1
142.08632	0.2
142.12219	0.2
143.10681	1.6
145.10129	0.2
147.08081	0.7
150.12741	0.3
152.14384	0.2
154.12294	0.2
154.15904	3.0
159.11678	0.1
164.14366	0.4
165.09055	0.2
166.15930	2.2
167.14236	0.1
168.17424	0.8
170.15387	0.3
178.15935	1.4
183.13696	0.2
185.11697	0.3
196.16982	7.4
197.17352	0.2
214.18025	100.0
215.18361	2.8
227.12662	0.3
244.15520	0.1
245.13890	1.0
254.21123	0.3
276.89246	0.1
280.19107	0.4
287.05539	0.2
298.20169	0.4
316.21191	4.0
339.08926	0.2
383.11383	0.4
396.27417	0.3
414.28500	10.3
415.13678	0.3
415.28619	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86638	0.6
54.88633	0.6
55.01853	1.2
55.05485	2.5
56.96545	1.3
57.03418	1.1
57.07063	0.7
61.02897	1.0
67.05502	6.0
69.03401	1.2
69.07027	2.4
70.06569	1.5
71.05000	1.1
71.07317	0.7
71.08633	5.4
71.61017	1.1
72.08127	2.5
73.02879	1.0
80.35194	0.6
81.03387	2.3
81.07060	5.3
83.08591	1.7
84.08118	1.2
85.02872	1.4
85.04884	0.6
86.05587	1.1
86.06065	18.7
87.51070	0.7
88.11246	1.1
91.03969	0.9
91.05466	6.3
93.07030	5.3
95.04970	1.8
95.08067	0.9
95.08607	11.2
96.08128	6.1
97.02854	0.9
97.06544	1.2
98.06028	1.8
98.09682	7.6
99.04433	2.1
99.08054	1.9
105.06999	1.6
107.08580	1.5
108.08119	3.4
109.06501	0.8
109.10140	4.1
110.09676	0.8
114.09154	1.1
116.10729	47.4
119.08572	9.3
122.09612	2.3
122.10387	0.7
123.08047	1.0
124.07565	1.8
126.09129	0.8
129.06981	0.8
131.08549	0.7
135.11671	0.8
136.11241	0.9
137.09610	6.7
140.10699	1.4
142.08678	4.9
142.12280	1.1
143.10693	7.1
147.08006	2.6
151.07509	1.9
152.07835	0.9
154.15909	2.1
155.10687	0.7
159.11584	0.7
165.09062	1.4
166.15860	1.1
178.15926	0.9
196.16977	4.5
209.11795	1.3
214.18013	61.0
215.18407	1.1
220.16956	0.9
227.12648	1.1
236.20113	1.2
238.17995	1.7
245.13852	2.3
252.19669	0.8
254.21170	5.7
255.09018	1.3
256.18979	3.6
273.09949	0.9
280.19080	7.7
285.10049	2.2
298.20074	5.3
316.21176	100.0
317.21600	3.4
332.02484	0.7
365.16248	1.3
396.27487	2.9
414.28510	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	413.2145
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
51.00411	0.3
56.03990	0.3
69.03414	0.6
69.07053	0.5
70.06591	0.6
70.98462	0.8
71.04975	0.5
81.07063	0.3
85.02884	1.0
86.09695	1.1
91.05476	0.6
93.07026	0.6
95.08588	0.6
98.97569	0.4
109.10144	0.6
116.07055	0.4
119.08579	0.6
121.10115	0.6
123.08047	0.4
131.08578	0.3
133.10132	0.3
134.28265	0.3
135.11781	0.4
138.05518	0.4
148.07524	0.5
155.08116	0.5
165.47635	0.3
175.14891	0.4
189.09038	0.7
193.06078	0.4
193.26317	0.3
203.05284	3.9
205.04897	0.4
233.15216	0.7
234.18550	0.5
251.02029	0.5
251.05524	2.9
251.07907	0.4
277.91528	0.3
285.77148	0.3
296.16171	0.7
413.21454	100.0
414.21829	2.7
432.01959	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	414.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.8
58.06566	0.8
67.05505	3.7
68.04979	1.1
69.07072	4.1
69.07348	0.8
69.19798	0.6
69.49207	6.7
70.06586	4.2
79.05463	2.3
81.07028	3.0
82.06541	2.1
83.08603	1.1
84.08118	0.8
85.02919	0.8
86.06030	2.2
86.09682	0.8
91.05427	1.3
93.07006	2.9
93.26340	0.7
94.06525	2.1
95.04977	0.7
95.08609	4.9
96.08134	8.6
97.06547	1.4
98.97557	0.9
100.07559	0.9
100.11228	1.6
105.07011	1.5
107.08572	1.7
108.08077	1.6
109.08812	1.6
110.09671	3.8
112.07606	1.0
119.08571	1.2
120.08099	1.1
121.10105	1.2
122.09655	1.0
127.09885	1.9
127.22785	0.8
133.10165	0.9
135.11581	0.9
140.10690	1.4
147.11668	0.9
150.36720	0.7
150.57869	0.8
154.88347	0.7
172.94920	0.7
181.04921	0.9
210.14801	0.8
224.19948	1.3
234.18416	0.9
246.22256	0.8
248.23744	18.0
262.21686	2.4
264.23236	32.0
265.23489	1.0
266.24780	62.1
267.25113	2.8
282.24274	100.0
283.24509	3.3
292.22705	2.2
310.23813	7.6
328.24792	3.0
370.25845	13.2
414.24881	77.6
415.25552	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	413.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
62.23555	0.4
67.05486	0.5
69.07079	0.6
70.06581	4.1
71.58437	0.8
72.08143	0.5
73.02911	0.4
79.05506	0.5
85.02899	1.4
86.09718	1.0
95.08634	0.5
97.02872	0.7
97.06538	0.6
105.07005	0.7
109.10172	0.5
116.07089	5.0
119.08573	0.9
121.10165	0.8
122.06044	0.4
123.08054	0.4
126.05540	0.5
127.03970	0.5
133.10130	0.5
138.09117	1.4
161.02991	0.7
175.11223	0.5
179.08447	0.6
207.08031	3.3
256.33939	0.5
270.11249	4.7
396.14404	0.6
412.70508	1.4
413.21478	100.0
414.21878	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	413.2147
Annotation	Glu Lys His
Peak:m/z	Relative Intensity
55.00379	0.3
55.05518	0.6
67.05495	0.6
69.03440	0.7
69.07072	0.7
70.06588	1.4
71.05008	0.5
71.58884	0.6
79.05470	0.4
81.07059	0.8
82.47156	0.3
83.05003	0.4
84.08163	0.4
85.02919	1.5
85.06552	0.3
86.09714	0.8
91.05487	0.4
93.07045	0.5
94.06560	0.5
95.08630	0.7
96.28113	0.3
97.02888	0.4
97.06519	0.5
102.96844	0.3
105.07028	0.7
107.08582	0.6
108.92520	0.3
109.06514	0.3
109.10170	0.4
114.29906	0.3
116.07080	0.6
119.01900	0.4
119.08589	0.7
121.10149	0.8
122.06002	0.5
127.03991	0.6
133.10132	0.4
136.07585	0.5
138.09157	0.7
145.10147	0.5
147.08020	0.3
148.74277	0.4
159.08057	0.4
161.02937	0.6
163.11368	0.3
194.81445	0.3
233.15356	0.6
251.02013	0.4
251.12534	0.7
270.11328	0.4
299.05664	0.3
325.05994	0.3
412.70462	1.2
413.21506	100.0
414.21613	2.7
425.96939	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	413.1417
Annotation	t(6)a
Peak:m/z	Relative Intensity
51.48833	0.9
56.96565	1.8
58.83830	1.0
61.02938	1.2
61.04058	1.9
69.03424	4.0
69.07049	2.5
69.78489	1.1
69.99316	4.9
70.06595	10.3
71.04993	2.8
72.08149	4.1
73.02893	1.3
74.06075	3.7
78.50267	1.1
81.03431	2.1
81.07061	1.0
83.04961	1.0
84.04504	1.4
84.08134	1.4
85.02911	10.2
85.07669	2.9
86.09698	1.9
87.05589	21.1
87.08131	2.0
89.07141	1.3
91.05443	1.1
91.71684	1.3
97.02886	3.4
97.41450	1.1
102.05488	1.3
115.03951	1.0
116.07091	2.5
119.03542	1.9
120.06590	8.2
125.40146	1.2
127.03910	2.6
133.06413	1.1
136.06183	100.0
137.04520	1.5
145.04938	1.8
147.04373	6.5
151.07475	1.1
162.04117	61.0
165.05415	1.4
196.62152	1.0
197.12924	1.4
199.10741	2.4
213.12418	1.1
227.02296	1.1
237.02850	1.7
238.98784	1.0
247.29109	1.0
268.10620	1.5
281.09927	55.5
298.17636	3.0
411.96017	1.2
413.14261	2.3
413.23892	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	412.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01876	6.3
55.05505	2.9
57.03438	13.9
59.05011	2.1
61.02931	12.6
69.03426	30.5
69.07076	2.1
69.84365	5.2
71.01350	2.7
71.04984	4.8
73.02917	63.6
81.03397	5.3
81.07045	1.3
83.08619	4.6
85.02903	100.0
87.04462	3.0
91.03975	4.2
97.02887	50.5
98.97575	4.7
99.04454	3.2
103.03959	4.0
107.08606	1.1
107.55159	0.9
109.02885	7.7
115.03930	24.5
116.98602	1.3
127.02966	1.6
127.03916	30.7
128.98599	1.4
129.05478	2.8
133.04962	37.9
137.02422	1.1
145.04955	52.0
147.06543	1.5
150.07594	2.3
158.99678	2.1
163.06007	34.3
177.00697	1.7
181.04881	1.2
193.04950	1.8
197.11703	1.8
199.06004	1.7
217.07204	3.5
223.05960	5.7
226.07825	1.2
233.13860	1.6
237.02750	1.3
241.07091	8.7
249.02937	1.1
259.08151	13.4
261.97995	1.0
263.14859	11.3
277.09128	2.8
295.10217	7.0
339.15680	1.3
341.13657	2.3
350.19894	1.1
412.20248	31.0
412.68973	1.3
413.21344	4.3
429.17789	1.3
433.13708	1.8
434.13913	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	412.2179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41688	0.9
53.03942	1.9
55.01875	7.1
55.05511	7.5
57.03189	1.2
57.03439	15.9
59.04984	2.9
61.02922	14.5
64.17215	0.9
65.86320	1.0
66.33521	0.8
67.05493	3.6
69.03430	29.7
69.07049	2.7
69.28929	9.8
69.29220	1.1
70.06581	3.0
71.01364	4.5
71.04998	7.0
73.02918	75.9
73.91019	0.9
79.05479	1.9
79.82227	1.0
81.03420	7.5
81.07048	3.4
83.04990	2.6
83.08622	7.8
84.04521	1.3
84.96052	1.0
85.02905	100.0
85.06523	1.3
86.09691	2.0
87.04456	4.7
91.03950	4.6
91.05471	3.6
93.07037	2.9
95.04961	1.2
95.08589	5.3
96.04508	1.4
97.02895	53.4
97.06498	1.8
97.10133	1.0
98.21495	2.2
98.97574	6.6
99.04463	5.0
99.08097	1.7
101.09656	1.3
103.03939	3.6
104.10741	1.5
105.07034	2.3
107.08570	5.5
109.02901	7.5
109.06506	1.7
109.10138	6.0
111.08106	2.0
115.03928	27.1
116.07106	1.1
116.98627	3.0
119.08576	1.2
121.06496	2.0
121.10147	2.7
123.08078	3.0
125.09645	2.2
127.03922	31.4
128.64491	0.9
129.09140	1.2
131.08580	1.4
132.06596	1.3
133.04964	33.8
133.10115	3.8
135.08025	1.0
135.09979	1.0
137.06067	1.0
137.09561	2.2
139.07539	3.7
141.09128	1.8
145.04961	52.5
145.10027	1.1
147.11737	1.3
149.09616	1.9
150.07608	3.5
151.11235	1.4
153.09146	1.3
155.10605	1.3
158.99612	1.7
161.01260	1.1
163.06015	23.1
163.07385	1.3
164.07024	1.6
167.10715	1.2
169.04924	1.1
169.08469	1.0
170.99651	1.9
173.13290	1.6
176.10881	1.2
177.00702	1.9
179.10669	1.4
184.07347	3.4
185.11597	1.2
189.12717	1.6
191.14319	2.4
197.11710	2.9
199.06097	2.0
204.08679	1.7
206.15427	1.2
209.11626	1.9
209.15433	0.9
215.12813	4.3
217.07162	3.6
218.07822	1.0
219.01704	1.5
223.06067	6.3
227.12724	2.2
232.16959	2.5
235.08290	2.1
237.02840	3.2
241.07098	6.7
245.13855	3.3
259.08142	11.9
263.14957	6.8
277.09283	2.7
289.09366	1.1
293.17023	1.0
295.10168	4.6
307.10590	8.6
308.11115	2.3
322.15311	1.8
412.19992	20.9
413.17313	4.5
413.22336	8.8
434.14243	1.5
435.15530	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	412.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.8
53.14702	0.9
53.17055	1.0
55.01868	4.6
55.05509	4.5
57.03436	14.2
59.05009	1.6
61.02927	13.1
69.03427	28.1
69.07067	4.3
69.93994	6.8
70.06586	1.4
71.01349	4.0
71.04992	7.5
73.02917	67.4
80.26264	1.1
81.03416	6.5
81.07051	2.1
83.08601	5.9
85.02905	100.0
86.03235	1.3
87.04469	4.6
91.03958	4.0
91.05487	1.5
95.04997	2.3
95.08619	2.0
97.02888	49.3
97.98048	1.0
98.21384	1.5
98.97574	4.2
99.04482	4.3
101.02412	1.7
107.08613	1.5
109.02884	8.2
109.06567	1.4
115.03928	27.5
116.98647	3.7
119.01880	1.2
121.10149	1.5
127.03925	31.4
129.05507	3.2
133.04965	34.3
137.13316	1.0
145.04959	50.4
150.07678	1.7
151.47545	1.2
157.05019	1.5
158.99696	2.6
163.06015	30.2
177.00748	2.3
197.11685	1.3
199.06010	1.7
215.09485	1.1
217.07303	3.6
223.05991	5.7
233.13911	3.8
241.07040	5.5
249.02954	1.4
254.87035	1.1
259.08121	14.9
263.14911	10.1
275.11612	1.2
277.09161	3.5
295.10333	6.1
332.13248	2.4
339.16016	1.3
341.13605	2.7
411.71170	2.3
412.20273	42.1
412.68982	2.0
413.21637	9.0
433.13889	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	411.1991
Annotation	diflorasone
Peak:m/z	Relative Intensity
52.20538	0.3
52.46375	0.3
55.05505	0.8
56.96569	0.4
57.03413	0.6
63.23500	0.3
65.64142	0.3
66.67969	0.3
67.05496	0.8
69.03436	0.6
69.07070	0.5
70.06598	1.3
71.03086	0.3
71.11259	0.6
79.05480	1.0
81.03426	1.8
81.07058	1.1
83.04979	0.4
85.02902	2.0
86.09678	0.4
91.05454	1.7
92.08643	0.3
93.07047	0.9
95.04968	1.7
95.08589	0.8
97.02871	0.6
98.97543	0.3
101.03527	0.3
105.07038	0.8
107.04942	0.8
107.08598	0.7
109.06536	0.5
109.10160	0.5
111.04503	0.4
117.07006	0.4
119.04958	0.4
119.08594	0.6
120.08043	0.3
121.06532	0.9
121.10101	0.7
123.04470	0.7
129.05469	0.4
129.06958	0.5
131.08569	0.5
133.10132	0.4
135.08051	0.4
135.11662	0.5
143.08485	0.4
145.10117	0.6
147.08009	0.4
149.05991	0.5
159.11674	0.4
161.05957	0.4
161.09605	0.4
161.13322	0.3
163.11177	0.7
171.11732	0.3
175.11125	0.3
189.05472	0.5
189.12788	0.6
203.05319	1.2
203.10678	0.3
212.16479	0.3
231.11287	0.9
231.13625	0.5
249.12389	0.7
249.14662	1.4
273.14880	2.1
301.14346	1.4
302.10349	0.5
319.15475	0.5
350.38171	0.3
363.18149	0.9
367.17218	1.6
375.18021	1.8
381.18854	2.1
393.18805	0.9
411.19870	100.0
412.20166	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	411.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01855	3.7
55.05487	2.4
55.75835	1.7
57.03434	12.9
57.07083	12.8
58.46486	1.5
59.04985	2.1
61.02910	5.8
67.05487	7.4
68.99778	2.3
69.03086	2.3
69.03430	38.1
69.07048	6.6
70.06580	3.2
71.04982	11.4
71.58947	3.1
72.08164	3.1
73.02909	5.8
79.05491	4.0
81.03429	21.0
81.07050	8.4
82.07360	1.7
83.04946	2.7
85.02903	79.2
85.06546	16.1
86.09687	2.0
87.00819	28.0
91.05470	4.6
93.07036	4.2
95.04980	9.3
95.08601	4.4
97.02889	18.2
98.97568	3.9
99.04448	9.9
99.08078	2.4
101.06027	2.6
101.60591	1.6
102.09206	2.2
102.86821	1.7
103.07579	54.0
105.01861	34.7
105.07003	3.7
107.04947	2.3
107.08614	3.8
109.02880	17.8
109.10130	4.9
111.04456	2.0
111.07359	1.8
111.08079	4.4
113.05997	4.3
113.97982	1.6
115.03922	3.0
116.07046	1.9
116.98582	3.0
121.02894	2.0
121.10095	3.9
127.03913	53.1
127.07550	12.1
129.05453	3.3
131.07040	4.8
131.08565	2.6
132.43536	1.9
139.03897	1.9
145.04961	11.6
145.08641	4.5
145.10101	3.4
147.09177	2.7
159.02902	2.0
163.09668	20.5
173.08099	9.0
177.16335	1.6
189.03925	2.6
191.08194	2.1
191.14166	1.5
195.02797	1.9
201.05566	2.2
203.03510	2.3
203.05286	5.1
213.18504	6.2
229.04808	2.5
229.10643	4.3
231.04915	14.7
231.13687	2.2
231.19568	3.0
237.02742	2.7
249.03976	3.1
249.15047	2.8
253.10751	4.2
267.10779	5.0
273.03961	5.3
279.75500	1.8
281.15213	2.2
283.94379	2.0
315.04861	2.1
325.13745	4.6
331.13547	2.0
333.06061	4.0
357.11951	2.5
363.07083	2.2
375.12982	3.5
411.15695	41.9
411.19873	100.0
418.55054	2.3
433.13647	3.8
436.15256	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	410.2388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	3.6
56.96554	1.2
57.03421	0.7
57.07080	2.6
59.05004	23.2
61.02917	0.9
67.05479	1.4
69.03433	20.9
69.07058	1.4
70.81255	1.5
71.04996	1.9
73.02905	0.7
73.06534	2.2
76.71415	0.4
79.05489	1.0
81.03410	1.1
81.07037	1.2
83.04964	1.2
83.08627	4.1
85.02907	9.0
85.06540	4.5
85.10178	1.6
87.00824	0.8
87.04465	2.7
93.07050	0.4
95.04982	0.7
95.08612	4.8
97.02886	2.7
97.06501	1.0
97.10170	2.2
99.04429	0.8
105.01861	0.9
105.07075	0.8
107.08588	1.9
109.02889	1.5
109.06532	0.6
113.09653	3.4
114.62523	0.4
117.07045	0.6
117.79057	0.5
120.08162	0.6
122.09660	0.6
123.49976	0.5
125.09633	29.9
127.03905	2.2
139.12196	0.5
143.10680	100.0
144.11015	1.1
145.04951	1.9
145.06462	3.9
169.06531	0.5
213.14861	6.9
231.15921	30.2
241.01480	0.5
278.21146	0.6
285.10211	0.7
410.22156	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	2.2
55.01876	2.4
55.05516	2.2
57.03433	4.5
57.07086	3.3
61.02935	1.8
62.22728	0.7
62.57408	0.7
67.05516	2.8
69.03438	13.2
69.07077	2.5
69.52493	4.3
69.52914	2.3
70.06608	1.8
71.04998	5.0
72.08166	1.6
73.02930	3.4
79.05499	1.4
81.03419	6.9
81.07072	4.2
83.04991	1.0
83.08648	1.8
85.02909	27.6
85.06556	6.6
86.09726	0.9
87.00831	10.8
91.05522	1.3
93.07076	2.6
95.04457	1.0
95.04955	4.5
95.08637	3.0
97.02892	5.5
97.06552	0.9
98.97623	2.6
99.04485	3.9
101.06036	0.9
102.09197	0.9
103.07588	18.1
103.08226	1.3
105.01871	15.0
105.07057	1.1
107.05025	1.2
107.08619	3.1
109.02890	7.6
109.06556	2.3
109.10184	1.7
111.08104	1.9
113.06006	1.6
115.03978	0.8
116.98636	1.6
119.08574	1.5
121.10192	2.4
121.14754	1.1
123.11742	0.9
127.03923	22.4
127.04781	1.5
127.07536	4.3
131.07080	1.4
133.10182	1.7
134.99664	0.9
135.08054	1.6
137.31190	0.7
145.04988	5.6
145.08669	2.5
145.10283	1.0
146.99713	1.0
147.09219	1.3
147.11800	0.9
161.13290	0.7
163.03946	0.9
163.06113	1.3
163.07512	1.0
163.09650	5.0
170.99754	1.1
173.08055	3.7
177.00795	1.0
183.03122	0.8
191.08272	1.5
192.04108	1.1
195.17517	0.9
203.05363	3.5
213.18642	2.5
229.10835	1.5
230.05916	0.9
231.03024	1.5
231.05176	3.4
231.13708	1.6
231.19679	0.9
237.02998	1.5
249.04074	1.3
249.14996	2.6
273.04181	1.8
281.15009	1.0
291.05099	1.5
305.09235	1.8
319.10925	1.6
325.14114	2.3
333.06119	1.9
411.20166	100.0
412.20114	0.9
433.14066	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	410.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.4
53.03948	0.5
55.05507	0.7
57.03432	0.8
61.02926	0.5
67.05502	0.6
69.03416	1.6
69.67270	2.3
71.04975	0.6
72.08162	0.5
73.02953	0.3
78.36373	0.4
81.03419	1.1
81.07051	1.3
83.08611	0.5
85.02913	3.6
86.09697	0.6
90.67767	0.3
91.05455	0.6
93.07032	0.5
95.04989	1.0
95.08601	0.4
97.02886	1.3
98.06039	0.4
105.01866	0.5
105.07046	0.5
107.04943	0.4
108.08148	0.6
109.02910	0.8
109.06499	1.2
123.04434	100.0
124.04767	2.4
124.07608	0.9
125.08339	0.8
126.09160	38.5
127.03916	1.3
127.09449	0.9
213.13095	0.4
213.14767	1.8
217.13683	0.4
221.88399	0.4
248.12836	87.6
249.13116	4.3
257.77933	0.4
362.11398	0.4
405.38171	0.4
409.77451	0.4
410.18515	2.4
411.20013	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3829
Annotation	4,4'-Diapophytoene
Peak:m/z	Relative Intensity
55.05501	11.5
55.99799	7.8
57.07066	29.0
58.15253	7.5
61.25125	8.2
67.05502	16.7
69.07059	21.1
71.08619	25.9
71.59488	12.5
72.03151	7.6
73.91945	9.7
76.48218	7.8
81.07072	63.1
83.08572	9.7
93.07038	14.0
95.08620	100.0
105.07029	15.8
106.07781	8.0
107.08595	32.1
109.10138	37.4
119.08547	11.5
121.10130	13.4
123.11704	29.1
133.10152	15.1
135.11682	26.4
137.13263	57.1
148.24341	9.9
149.13293	11.0
151.07524	17.6
163.14780	13.2
177.16299	8.4
203.18118	10.3
215.17845	8.4
317.11279	8.4
409.38425	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	410.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.5
55.05507	1.0
57.03421	0.4
61.02912	0.7
67.05495	1.0
68.26266	0.4
69.03424	1.5
70.01537	1.9
70.06572	0.4
71.04973	0.7
73.02939	0.5
79.05443	0.4
81.03411	0.9
81.07044	1.1
83.08601	0.5
85.02897	3.8
85.45762	0.4
87.04478	0.4
91.05487	0.8
93.06998	0.4
95.04960	1.5
97.02888	1.4
97.06533	0.6
98.06064	0.4
98.09747	0.4
98.97581	0.5
99.04468	0.5
105.03375	0.8
107.08574	0.6
108.08112	0.6
109.02855	0.5
109.06511	1.5
109.10178	0.4
110.57986	0.3
111.05550	0.7
117.94837	0.3
118.06540	0.4
119.08544	0.7
120.08116	0.4
123.04421	100.0
124.04764	2.0
124.07570	1.0
125.08382	0.5
126.09147	36.9
127.03876	0.9
127.09460	0.4
145.05003	0.5
153.12659	0.4
157.06136	0.5
186.50533	0.5
195.13864	0.5
213.14877	2.7
243.06082	0.5
248.12811	86.3
249.13052	3.4
289.08899	0.4
303.34283	0.4
410.18576	3.6
411.20026	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24181	6.6
51.55313	6.6
54.73321	5.9
55.05500	23.9
57.07067	10.8
67.05518	30.9
69.07066	12.6
69.35868	6.4
70.77586	22.4
79.05488	31.7
80.70850	6.4
81.07063	47.6
83.08608	8.9
88.11880	7.4
91.05476	43.6
93.07044	59.0
94.07327	7.0
95.04970	59.7
95.08627	63.7
97.06519	13.2
102.80710	7.7
105.07040	99.4
105.54713	8.1
107.05022	7.3
107.08619	39.9
109.06527	13.2
109.10152	31.3
117.07024	14.1
119.08598	71.2
121.06512	22.6
121.10133	21.3
123.08045	25.5
128.06209	7.8
131.08580	19.9
133.10150	26.3
135.08063	18.5
135.11699	13.8
135.69417	7.4
137.09573	12.0
142.07782	13.8
143.08554	19.1
145.10141	52.7
147.08083	21.2
147.11694	46.7
151.07532	25.7
155.08549	10.3
157.10144	29.2
159.08095	18.7
159.11707	23.7
161.09647	12.0
161.13260	12.5
163.11250	8.9
165.09125	27.3
169.10118	22.2
171.11693	18.6
173.09656	7.9
173.13226	9.8
175.11105	31.2
183.11732	18.3
185.13309	10.5
187.14719	12.6
201.12753	11.6
203.14330	14.6
207.11847	7.8
207.13860	15.5
221.15358	100.0
223.14894	6.9
234.15993	9.4
287.19919	8.3
297.74298	7.3
300.20898	9.9
307.33115	6.4
329.21365	7.2
391.26105	14.1
409.19571	11.8
409.22021	9.2
409.27252	98.2
409.38623	8.3
415.35876	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	7.5
55.05499	15.8
67.05506	27.2
69.07052	15.4
73.02044	5.6
79.05479	24.0
81.07063	45.1
83.04958	6.3
85.06521	5.2
91.05503	31.9
91.45381	4.3
93.07047	61.0
95.04965	50.6
95.08610	53.2
97.06540	13.4
98.20703	11.5
105.07028	100.0
107.08600	38.7
109.06535	8.3
109.10152	54.1
112.45168	5.3
112.55583	5.2
117.07021	16.7
119.08578	74.3
121.06493	14.3
121.10143	25.6
123.08059	20.4
129.07013	9.4
130.07793	7.6
131.08549	23.7
133.10135	30.4
135.08028	14.2
135.11656	8.3
137.09543	6.2
142.07780	11.8
143.08534	16.4
145.10143	41.2
147.08032	16.9
147.11705	39.7
149.09703	11.6
151.07516	29.9
155.08510	13.1
156.09346	11.0
157.10117	31.1
159.08054	10.5
159.11655	17.3
161.09659	9.7
165.09100	29.8
169.10141	20.9
171.11649	15.9
173.09607	6.8
173.13268	12.4
175.11165	22.7
183.11684	18.7
185.13297	11.1
187.11198	8.4
189.12775	7.2
201.12651	7.5
203.14346	14.2
207.13831	12.0
209.13339	8.2
211.14784	8.9
219.13788	6.1
221.15361	67.1
229.16013	6.5
234.16125	18.2
266.57187	6.0
274.76154	6.0
287.20038	5.9
311.78864	5.1
405.18796	5.5
409.27301	79.4
409.38071	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2738
Annotation	10'-Apoviolaxanthal
Peak:m/z	Relative Intensity
53.03948	3.2
55.01867	2.9
55.05513	18.3
57.07078	8.2
57.43760	1.5
59.04995	2.4
65.03938	3.6
67.05507	19.2
69.03429	5.4
69.07076	8.0
69.95884	6.0
76.13128	1.3
79.05499	18.7
81.03402	1.8
81.07060	35.4
83.04986	4.5
83.08640	2.8
85.06538	3.1
91.05485	35.1
93.06468	2.6
93.07046	40.8
94.73158	1.6
95.04974	45.8
95.08616	27.0
97.06553	7.1
103.05463	3.5
105.07036	100.0
107.08603	24.9
109.06527	11.2
109.10167	8.8
111.08084	3.3
115.05492	2.8
117.07013	13.7
119.04951	2.8
119.08585	59.2
120.09419	1.7
121.06519	17.2
121.10143	16.1
123.08086	14.1
128.06233	4.1
129.07010	9.0
129.76906	1.3
130.07799	5.7
131.04927	1.7
131.08594	20.6
133.06502	6.0
133.10152	15.8
135.08081	11.2
135.11681	5.1
137.05983	2.2
137.09613	8.2
141.07016	5.3
142.07800	12.0
143.08563	14.3
144.09332	3.0
145.06462	3.1
145.10133	35.6
146.10912	3.1
147.08064	14.3
147.11696	38.1
149.09628	13.1
151.07561	16.2
153.06920	2.3
153.09026	1.8
155.08554	7.2
156.09346	5.0
157.10150	19.7
158.10861	2.1
159.08093	5.9
159.11722	13.4
160.08896	1.5
161.09653	8.2
161.13326	3.5
163.11226	3.9
165.09114	22.9
167.08591	3.0
168.09358	3.3
169.10188	10.7
170.10883	2.8
171.11740	8.8
173.09624	6.1
173.13295	6.6
175.11192	32.6
177.09125	4.3
178.09990	2.4
181.10144	4.5
181.12302	3.0
183.11731	9.8
185.09634	3.1
185.13313	4.3
187.11203	3.8
187.14760	3.9
189.12796	6.4
191.14299	1.6
195.11823	2.9
196.12386	2.7
197.13277	2.2
199.11237	4.3
199.14821	2.4
201.12715	9.2
203.14362	15.7
207.11757	3.2
207.13828	7.6
209.13269	3.1
209.15344	3.7
211.14886	4.3
213.12671	2.5
215.14331	2.8
217.11871	1.5
219.13782	4.5
221.15369	67.4
223.14835	2.5
227.14357	1.7
229.15903	5.9
231.13857	2.3
233.13286	1.9
233.15379	2.0
234.16139	16.5
253.15906	2.2
263.18069	1.7
269.19095	2.0
278.48172	1.5
281.19177	1.7
286.19345	2.5
287.20111	5.0
300.20831	5.8
307.20517	1.6
312.20764	1.8
317.21194	2.2
329.21069	3.7
335.19968	1.9
353.20792	1.7
391.26285	8.3
392.31683	2.8
409.27322	51.6
410.27771	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	409.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	6.7
54.90022	5.1
55.05507	19.4
56.18245	4.6
57.07077	11.3
59.04983	6.2
59.52452	4.7
67.05515	29.0
69.07066	12.4
69.40473	25.8
69.40908	20.0
79.05508	26.1
81.07049	39.9
82.05518	5.2
83.04961	7.7
84.53696	5.0
91.05478	35.5
93.07041	55.8
95.04974	51.6
95.08624	38.2
97.06538	9.4
102.38811	5.3
105.07035	100.0
107.08599	36.6
109.06508	14.2
109.10152	22.8
116.34336	4.8
117.07018	16.6
119.08582	54.4
121.06516	22.8
121.10157	17.7
123.08085	15.4
128.06284	7.4
129.07036	6.8
130.07806	6.2
131.08551	31.0
133.06525	7.5
133.10139	26.9
135.08057	12.9
135.11673	11.0
137.09669	6.2
142.07814	15.2
143.08574	14.1
145.10149	38.3
147.08031	15.4
147.11697	30.5
149.09608	10.0
151.07555	15.5
155.08539	10.6
157.10141	26.1
159.08109	5.6
159.11716	22.7
161.09618	9.0
165.09097	30.8
167.08524	7.9
168.09344	6.0
169.10208	9.6
170.10924	5.1
171.11688	16.3
173.13258	7.7
175.11186	25.9
181.12273	6.9
183.11723	14.3
185.13423	5.1
187.11229	6.6
189.12720	8.7
191.14310	6.3
197.13261	10.7
199.11140	9.1
201.12807	10.4
203.14336	20.5
207.13849	6.0
209.13309	9.3
209.15248	6.1
221.15373	77.8
229.15903	6.3
234.16199	9.8
241.04521	6.0
273.76141	5.0
287.20151	8.1
299.19733	6.0
310.48248	4.9
396.41547	5.1
409.27237	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91115	2.4
55.05511	9.4
56.96576	2.2
67.05501	15.9
69.03436	11.8
69.07076	14.0
70.90054	7.1
71.04993	7.9
72.25875	2.0
79.05474	4.4
81.03439	3.5
81.07050	39.6
83.04979	5.2
83.08627	4.9
85.02911	15.1
85.06558	5.2
86.09718	2.6
91.05487	5.6
93.07053	19.5
95.05000	3.1
95.08609	40.2
97.06552	4.0
97.10155	4.7
99.08124	3.1
102.09158	3.0
105.07026	21.7
107.08591	26.0
109.06559	3.6
109.10162	43.2
111.08069	5.1
117.07024	3.1
119.08578	47.8
121.10130	27.4
123.08093	4.9
123.11697	25.1
125.09642	3.3
133.10124	35.1
135.11694	37.5
137.09619	14.4
137.13338	2.6
147.11656	8.9
149.13281	12.8
153.12686	2.6
163.14799	10.0
165.16437	22.6
175.14825	76.5
181.15878	2.7
193.15887	68.7
211.16937	89.9
229.17981	32.8
247.05814	8.0
247.19052	100.0
282.65036	2.7
409.11038	76.4
409.18338	22.3
410.11356	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	409.2734
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	3.7
54.33104	2.2
55.01863	2.8
55.05505	19.1
57.03410	2.6
57.07069	6.0
58.03725	2.5
59.04964	4.9
65.75550	2.1
67.05498	24.1
69.03431	8.0
69.07056	9.9
70.74215	8.8
71.04991	4.8
79.05491	25.0
81.07053	39.6
83.04981	6.4
83.08605	4.9
85.06549	5.2
88.62517	2.4
91.05480	46.6
93.07038	45.5
95.04958	60.2
95.08604	38.4
96.83069	2.5
97.06531	13.0
105.07025	100.0
106.07323	3.2
107.04999	2.2
107.08590	34.0
109.06515	15.7
109.10177	13.4
111.08071	4.2
116.06271	2.7
117.07023	16.1
119.04987	2.9
119.08577	60.5
121.06512	18.9
121.10137	20.6
123.08070	17.4
125.09613	3.0
128.06235	5.2
129.06992	10.5
130.07777	6.3
131.08568	27.7
133.06494	6.8
133.10126	20.4
135.08046	14.2
135.11684	7.8
137.09599	12.4
141.06990	6.2
142.07782	10.4
143.08565	22.9
144.09312	5.6
145.10120	44.2
146.10770	2.2
146.18188	2.8
147.08028	17.9
147.11661	35.1
149.02953	2.3
149.09621	13.4
149.13312	2.7
151.07571	21.9
155.08582	8.9
156.09389	6.6
157.10127	25.3
159.08076	5.6
159.11696	17.6
161.09602	12.0
161.13266	6.4
163.11226	6.9
165.09105	29.4
167.08528	4.6
168.09241	3.7
169.10175	10.9
171.11632	13.4
173.09628	6.4
173.13292	9.2
175.11148	30.6
177.09157	2.8
178.09842	3.7
179.08685	3.0
181.10173	6.4
181.12280	2.9
183.11725	11.3
185.13297	8.2
187.11234	4.6
187.14865	6.7
189.12756	8.6
191.14233	3.2
195.11702	7.6
197.13260	7.0
199.11363	2.8
199.14821	2.8
201.12729	10.9
201.16388	2.5
203.14293	14.1
207.11887	2.7
207.13853	5.5
208.12444	2.9
209.13225	6.6
209.15417	6.9
211.14772	7.4
213.12796	3.1
219.13937	4.1
221.15355	80.7
223.14818	3.0
225.16299	4.3
229.15839	5.4
233.15437	6.1
234.16180	17.7
249.16457	3.2
253.15883	6.8
263.16397	2.7
286.19302	3.1
287.20013	7.0
288.60049	2.6
299.20142	3.6
300.20749	5.2
307.20718	2.7
329.21039	6.5
391.26294	8.3
409.18988	3.5
409.27350	66.7
409.35699	6.7
410.13635	3.8
410.27597	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	409.2072
Annotation	Daumone 4
Peak:m/z	Relative Intensity
52.57413	2.5
55.01863	2.8
55.05520	13.6
56.44904	2.4
56.96562	5.0
57.03439	13.0
57.07071	2.5
61.02931	3.8
61.10004	2.4
67.05505	11.8
69.03428	12.8
69.07074	5.8
70.06604	6.4
71.04998	36.2
72.08154	4.2
73.02911	10.0
75.04485	10.6
79.05508	6.1
81.03405	7.5
81.07060	19.6
82.03782	2.7
83.04989	7.2
83.08627	7.7
83.54571	2.2
84.08150	3.2
85.02913	100.0
85.06535	7.5
86.03255	3.0
86.09686	5.4
87.04468	4.7
91.05505	6.1
93.07059	13.9
95.04975	6.4
95.08610	26.8
96.08911	4.6
97.02886	11.6
97.06525	3.9
97.10184	3.1
98.20699	5.4
98.97576	11.6
99.04430	3.5
99.08035	2.4
101.06009	3.8
105.07034	14.0
107.08605	18.7
109.02888	4.2
109.06530	6.0
109.10155	15.2
110.10455	4.9
111.04432	2.9
111.08089	8.4
116.98639	9.7
119.08596	11.4
120.08099	3.0
120.08891	3.1
121.10148	8.2
122.10542	2.8
123.08125	3.0
123.11710	6.9
124.07593	5.9
125.09622	5.5
127.03915	9.0
127.11176	9.1
129.05490	32.2
132.46504	2.8
133.10146	12.9
134.10469	3.9
134.99640	4.5
135.11688	5.8
136.11993	3.3
137.09598	6.4
145.04965	4.1
145.06535	2.7
145.10114	4.3
147.06570	15.5
147.11661	8.3
149.13324	4.5
151.07515	2.7
151.11121	4.5
158.99657	5.1
159.11790	4.5
165.12761	2.8
173.05988	8.1
175.14928	3.7
176.15184	5.1
177.00684	3.2
193.12212	3.2
193.15939	4.3
194.16240	5.8
211.17049	2.8
215.09290	4.7
215.59473	3.4
219.01788	6.2
223.16994	3.8
224.09828	3.5
229.04968	25.8
237.02829	10.4
247.06055	9.4
247.16920	2.7
248.12784	3.3
268.16235	3.7
304.11636	3.9
327.66501	4.4
328.17136	7.9
408.69284	13.6
409.10464	4.5
409.19089	57.7
409.70041	16.3
429.17972	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	409.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30729	0.3
56.96566	0.8
69.03444	0.4
69.07086	0.5
69.51609	2.7
77.52650	0.3
79.05492	0.4
81.07051	0.6
82.43347	0.3
83.04969	0.3
83.08648	0.4
85.02898	0.9
85.06522	0.4
91.05488	0.5
93.07035	0.6
95.04969	0.6
95.08607	0.4
97.02889	0.4
97.06517	0.6
98.20730	0.5
105.07034	0.6
107.08598	0.7
108.08979	0.3
109.10128	0.5
119.08551	0.9
121.10122	0.5
125.67158	0.3
133.10152	0.4
136.12042	0.3
159.11612	0.4
166.08723	0.3
181.05360	0.4
193.12212	0.4
211.16960	1.1
212.17352	1.1
230.14648	0.3
247.13092	2.8
265.07385	0.6
317.42923	0.3
341.09259	0.5
409.18332	100.0
410.18845	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	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83791	0.3
55.05491	0.6
67.05492	1.0
69.07064	0.8
70.06586	1.1
70.94718	0.9
72.08154	0.6
79.05486	0.6
81.03410	0.3
81.07037	2.3
84.04502	0.6
85.02900	0.7
85.06538	0.9
86.09687	1.6
87.10024	0.6
91.05463	0.3
93.07032	0.7
95.08589	1.5
105.07017	0.8
107.01073	1.5
107.08593	1.4
109.10145	1.4
119.08586	0.6
120.08093	1.4
121.08463	0.8
121.10139	0.7
123.11694	0.7
133.10191	0.4
135.11729	0.7
136.07655	0.7
145.10097	0.4
147.11728	0.6
149.13226	0.4
161.13280	0.5
166.08733	0.4
175.14780	0.4
203.05281	1.6
216.14072	0.5
247.13109	1.8
271.06119	0.4
290.54233	0.3
337.23795	0.4
380.90836	0.3
409.18311	100.0
410.18671	3.9
423.56314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	0.4
67.05495	0.4
69.03431	0.2
69.07071	0.3
71.04955	0.2
71.60682	0.1
71.61085	0.2
72.08180	0.2
79.05482	0.3
81.03423	0.2
81.07062	0.6
83.04974	0.2
85.02909	0.3
86.09691	0.3
86.64988	0.1
91.05478	0.4
93.07022	0.4
95.08609	0.5
97.02876	0.3
97.06537	0.3
105.07023	0.4
107.01075	0.5
107.08566	0.5
109.06501	0.2
109.10173	0.3
111.08065	0.2
116.98689	0.2
119.08591	0.3
121.06535	0.1
121.10114	0.3
123.04420	0.2
126.09132	0.2
130.06509	0.3
131.08598	0.2
133.10190	0.2
135.11702	0.3
145.10120	0.2
147.11716	0.2
161.13248	0.2
173.09726	0.2
173.13148	0.2
175.15036	0.2
189.04698	0.2
203.05261	0.5
211.16951	0.3
212.17293	0.4
222.08255	0.3
229.12074	0.6
230.14830	0.3
246.12344	0.2
247.13077	3.0
248.12897	0.4
265.07434	0.2
273.71100	0.2
323.08167	0.2
342.35492	0.2
357.50284	0.1
375.80402	0.2
409.18341	100.0
410.13861	0.3
410.18716	3.1
422.16989	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	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.1
56.96529	0.9
57.03431	0.5
67.05488	1.9
69.03423	3.6
69.07047	1.3
69.84151	1.7
69.84564	0.8
70.06585	0.6
71.04984	3.5
72.08154	1.0
73.02927	0.5
79.05477	1.4
81.03407	0.7
81.07046	3.2
83.04966	0.9
84.08133	0.6
85.02901	3.9
85.06517	0.9
86.09721	0.5
91.05476	1.1
93.07008	1.9
95.04941	0.9
95.08592	2.8
97.02904	0.8
97.06521	1.7
98.97566	0.6
99.04447	0.6
105.07016	1.4
107.08613	2.5
109.02879	0.5
109.06506	1.1
109.10151	2.7
111.08079	0.9
113.09594	0.5
116.98579	0.5
119.08588	1.2
120.08120	0.5
121.10121	1.6
123.04417	0.5
123.08043	0.5
123.11676	0.9
125.09623	10.2
127.03896	0.9
129.05432	0.6
133.10158	1.3
135.11685	1.1
139.11153	0.5
143.08565	0.6
145.10132	0.7
150.05852	0.6
153.12775	0.7
161.13268	0.4
173.13223	0.7
193.15802	0.7
203.05252	19.8
211.16895	4.5
215.07141	0.5
217.05008	0.5
229.11972	1.2
229.15924	0.6
229.18018	1.7
247.11072	0.6
247.16896	1.0
247.19116	0.9
248.12842	0.5
294.13531	0.5
325.06964	0.8
337.23810	0.6
366.11600	1.9
391.14005	1.4
409.18307	100.0
410.10660	6.6
410.18774	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	3.3
69.54030	6.8
69.54452	5.6
70.06573	2.5
85.02905	3.2
86.09735	2.0
98.97602	7.2
100.72596	1.4
112.89605	22.0
114.89300	2.0
116.98624	3.0
119.01907	7.8
127.03919	1.7
127.69842	1.7
128.98590	2.1
131.01935	5.0
133.03517	4.6
143.01892	8.5
145.03447	4.5
146.99641	2.1
155.01888	5.1
158.99617	2.1
161.02950	12.3
169.03540	2.0
171.01385	1.7
173.02939	7.1
177.00732	3.1
185.02928	2.2
187.00919	3.1
187.04463	1.8
189.02505	4.1
191.04051	2.3
199.00859	2.6
215.00476	2.9
217.01978	3.0
219.01843	2.4
221.05132	1.6
224.59999	1.5
231.03568	3.8
237.02905	6.1
245.05148	2.4
247.63828	1.6
259.02878	2.4
289.03998	7.9
301.04114	4.0
307.04913	8.6
317.03818	1.7
319.05020	3.4
327.44366	1.8
349.08432	2.1
367.09070	2.5
409.11139	100.0
410.11694	2.2
430.51141	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	409.1009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43912	1.1
56.96561	15.8
61.02931	1.4
69.03423	1.2
69.86269	2.7
69.86679	4.0
70.06586	1.8
71.04979	1.0
73.02887	1.1
80.83066	1.0
81.07065	1.1
84.08134	1.2
84.96019	2.9
85.02896	6.1
85.77170	0.9
97.02882	5.4
98.85541	1.1
98.97582	62.4
101.07098	1.0
102.97032	1.3
105.24306	1.1
110.97545	2.8
114.43022	0.9
116.98623	51.1
116.99454	2.5
119.01907	1.8
124.79778	1.0
127.30827	1.0
128.98587	7.8
131.00116	1.3
131.01901	1.8
134.99658	28.3
136.06224	1.4
140.00168	2.1
143.00177	1.8
143.01894	3.9
145.01712	1.8
146.99657	10.0
147.03281	1.7
149.01216	1.8
149.06419	1.1
151.02756	1.1
152.98595	1.3
153.00708	3.6
155.01982	1.3
158.01257	2.4
158.99654	21.9
161.01231	4.1
161.02960	7.3
162.99097	2.0
163.02747	1.5
165.00705	3.6
165.04321	3.3
170.99654	3.2
173.02927	1.8
173.06467	1.9
177.00716	45.1
179.02248	1.5
185.06641	2.2
189.00679	4.2
189.04323	11.0
190.98630	3.3
193.00220	2.2
195.01804	2.8
200.02327	4.4
201.00705	1.6
205.03716	2.0
207.01834	1.3
207.05426	3.3
215.07632	2.1
219.01726	10.8
221.05083	1.8
223.01230	1.4
231.05408	2.2
237.00441	1.7
237.02820	28.1
246.96034	1.3
247.04836	1.9
249.06320	1.1
255.03845	2.4
275.09802	2.5
277.05930	1.3
291.07483	15.7
293.10767	4.7
295.06949	4.4
309.08575	62.4
310.08859	1.8
311.08817	1.2
321.08563	1.9
332.10211	5.3
349.08020	10.9
365.12793	7.0
367.08957	3.6
391.09079	26.7
409.10684	100.0
410.10870	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	408.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.1
55.05511	28.2
56.05028	1.9
57.07061	1.6
58.99584	12.8
59.01257	0.9
61.01138	1.3
67.05497	5.7
68.09015	0.9
69.03419	1.5
69.07073	9.3
69.48494	5.5
69.48904	2.3
70.06602	1.1
73.01151	1.1
76.02229	6.5
76.04000	3.4
79.05497	3.0
80.11198	0.9
81.07053	10.1
82.07436	1.0
83.04973	1.6
83.06099	1.9
83.08620	40.1
84.04504	21.6
84.08961	2.3
85.02903	1.7
86.09708	1.1
86.24222	0.9
86.99057	10.4
88.02209	3.1
91.05476	3.8
93.07033	6.1
94.77927	0.9
95.04954	1.6
95.08607	15.4
97.06509	1.0
98.21511	1.7
98.97582	1.0
99.05595	1.4
101.09662	2.4
105.06425	1.3
105.07009	7.3
107.08597	14.7
109.06526	4.5
109.10162	24.7
111.08060	2.2
115.05801	1.1
116.01679	50.9
119.08576	18.1
119.09359	1.5
120.08035	1.1
120.08920	1.1
121.02876	1.2
121.10146	36.4
123.08083	4.0
123.11694	6.6
125.09650	1.2
127.03940	1.2
129.06589	2.9
129.07410	1.9
130.05002	5.3
133.10127	15.4
135.11681	11.6
136.87622	1.0
137.09601	6.7
137.13261	3.9
139.11174	2.0
142.03203	2.4
144.01152	25.7
145.06093	1.9
147.07964	1.1
147.11705	3.3
149.13260	21.3
150.13638	1.1
151.11180	1.6
151.14822	3.5
159.08388	37.8
160.08717	2.2
160.12379	1.3
162.02202	100.0
163.02516	2.6
165.16373	5.5
175.13280	2.3
175.14818	37.6
176.11028	7.1
176.15103	1.7
190.83360	1.0
193.15881	44.4
194.16255	1.7
194.83174	1.1
198.98473	1.0
205.08992	1.7
211.09738	1.5
211.16920	3.9
214.69519	0.9
244.10017	2.0
245.05757	1.1
246.11316	1.7
247.05946	1.2
247.19005	1.3
261.10727	3.8
262.11087	59.8
263.11346	3.3
268.85864	1.0
279.13754	34.6
279.37463	1.0
280.14029	2.6
293.62619	1.1
333.14786	13.7
334.15060	1.5
390.16995	1.5
408.18051	9.1
409.11130	13.8
409.16440	1.0
425.07404	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.01865	1.2
55.05511	3.5
56.96563	1.3
57.03434	1.3
57.07069	2.0
59.05002	1.0
67.05509	6.1
69.03424	2.6
69.07069	5.9
70.06586	0.8
71.04993	3.8
71.19633	1.5
79.05489	2.7
81.03419	1.3
81.07056	12.5
83.04972	2.3
83.08634	2.8
85.02905	6.9
85.06534	2.0
91.05462	2.6
93.07044	6.3
95.04965	2.3
95.08611	14.9
97.02892	2.7
97.06525	2.6
97.10171	1.3
98.97595	3.3
99.04454	1.0
99.08110	1.4
100.41955	0.6
105.07028	8.9
107.08598	9.8
108.08902	0.6
109.02865	0.8
109.06509	3.2
109.09460	1.0
109.10156	14.3
111.08086	2.7
113.05988	0.8
113.09631	0.6
116.98624	2.3
119.08578	16.3
121.10155	4.7
123.08070	4.3
123.11703	11.6
125.09612	4.5
127.03925	1.0
132.46686	0.5
133.10135	10.9
134.99661	1.0
135.11697	14.0
137.09637	5.0
139.11263	0.8
143.06990	0.6
143.10680	0.9
145.04974	1.1
147.11700	3.6
149.09587	0.8
149.13281	4.3
149.14392	0.7
151.11168	1.9
151.14784	3.5
151.25438	0.6
153.12708	0.8
155.10672	1.1
158.99623	1.2
162.02249	0.7
165.12724	1.3
173.13219	0.6
175.14828	20.8
177.00676	1.9
181.15929	1.1
189.12718	0.8
191.14267	1.2
193.12231	2.7
193.15884	26.7
194.16249	1.1
211.13420	1.9
211.16934	43.6
212.17271	2.1
213.07843	1.9
214.08531	1.2
215.09277	1.4
222.08455	1.3
224.09953	2.0
229.17958	4.7
237.02745	0.9
247.13121	0.8
283.12097	1.2
285.13889	2.2
303.11047	0.7
307.12137	0.7
309.13501	0.8
318.15939	0.9
325.13083	1.3
327.16183	0.6
390.13760	1.4
408.19025	5.9
408.69357	1.5
409.18329	100.0
427.16406	2.4
429.17877	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	408.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.6
55.01865	1.2
55.05511	3.5
56.96563	1.3
57.03434	1.3
57.07069	2.0
59.05002	1.0
67.05509	6.1
69.03424	2.6
69.07069	5.9
70.06586	0.8
71.04993	3.8
71.19633	1.5
79.05489	2.7
81.03419	1.3
81.07056	12.5
83.04972	2.3
83.08634	2.8
85.02905	6.9
85.06534	2.0
91.05462	2.6
93.07044	6.3
95.04965	2.3
95.08611	14.9
97.02892	2.7
97.06525	2.6
97.10171	1.3
98.97595	3.3
99.04454	1.0
99.08110	1.4
100.41955	0.6
105.07028	8.9
107.08598	9.8
108.08902	0.6
109.02865	0.8
109.06509	3.2
109.09460	1.0
109.10156	14.3
111.08086	2.7
113.05988	0.8
113.09631	0.6
116.98624	2.3
119.08578	16.3
121.10155	4.7
123.08070	4.3
123.11703	11.6
125.09612	4.5
127.03925	1.0
132.46686	0.5
133.10135	10.9
134.99661	1.0
135.11697	14.0
137.09637	5.0
139.11263	0.8
143.06990	0.6
143.10680	0.9
145.04974	1.1
147.11700	3.6
149.09587	0.8
149.13281	4.3
149.14392	0.7
151.11168	1.9
151.14784	3.5
151.25438	0.6
153.12708	0.8
155.10672	1.1
158.99623	1.2
162.02249	0.7
165.12724	1.3
173.13219	0.6
175.14828	20.8
177.00676	1.9
181.15929	1.1
189.12718	0.8
191.14267	1.2
193.12231	2.7
193.15884	26.7
194.16249	1.1
211.13420	1.9
211.16934	43.6
212.17271	2.1
213.07843	1.9
214.08531	1.2
215.09277	1.4
222.08455	1.3
224.09953	2.0
229.17958	4.7
237.02745	0.9
247.13121	0.8
283.12097	1.2
285.13889	2.2
303.11047	0.7
307.12137	0.7
309.13501	0.8
318.15939	0.9
325.13083	1.3
327.16183	0.6
390.13760	1.4
408.19025	5.9
408.69357	1.5
409.18329	100.0
427.16406	2.4
429.17877	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	408.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.5
55.05510	39.8
56.05017	2.4
57.03413	2.5
57.07066	2.3
58.99588	16.6
60.04511	1.3
61.01117	2.4
67.05500	10.1
69.03414	4.2
69.07069	13.0
70.06589	3.2
71.04975	2.4
71.51039	2.0
73.01131	2.4
76.02238	8.4
76.04008	3.3
79.05478	5.0
81.03421	2.1
81.07055	18.6
82.07365	1.2
83.05000	3.1
83.06084	1.7
83.08618	47.9
84.04037	2.1
84.04504	29.6
85.02901	7.9
85.06542	4.0
86.09702	1.6
86.99065	12.1
88.02203	3.9
91.05466	5.6
93.07058	10.0
95.04935	1.5
95.08604	21.1
97.02879	2.8
97.06532	2.2
98.09723	1.3
98.97558	3.6
99.08060	2.3
101.09640	3.8
105.07042	11.3
107.08599	24.4
109.06508	7.5
109.10162	44.0
111.08073	5.0
116.01682	61.0
117.02036	2.1
118.01239	2.6
119.08581	30.0
120.08092	1.6
121.02940	1.5
121.10142	58.1
122.10484	2.1
123.08066	8.5
123.11707	12.6
124.07576	1.3
125.09592	1.8
129.06575	3.6
129.07425	2.0
130.04974	6.8
133.10138	27.0
135.11694	23.2
137.09598	9.3
137.13232	4.1
139.11174	4.3
142.03189	4.6
144.01147	31.3
145.06053	1.3
147.08078	1.2
147.11681	4.3
149.13271	28.5
151.11215	3.7
151.14793	4.2
155.10704	1.5
158.07925	1.6
158.99725	1.5
159.08386	37.5
160.08699	1.7
162.02202	100.0
163.02560	2.4
163.14819	1.6
164.01697	1.9
165.09167	2.5
165.16396	9.0
175.14828	56.9
176.09166	1.3
176.11043	4.7
176.15143	2.3
177.00774	1.5
179.04883	1.5
193.15880	58.8
194.16219	1.4
207.06480	1.2
211.16956	11.2
211.54938	1.3
237.02716	1.8
245.05931	1.9
246.11250	5.7
247.05843	2.2
247.11096	1.4
247.19049	7.3
259.11075	3.5
261.10663	9.2
262.11090	59.4
263.11368	3.0
279.10638	1.7
279.13705	32.6
280.13898	2.7
299.04404	3.0
303.61111	1.5
310.65887	1.3
333.14752	11.9
334.15192	1.7
408.17920	7.4
409.11090	29.3
409.16241	1.5
425.07504	4.9
425.12927	3.8
432.89615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03392	3.3
53.03935	6.9
55.01869	6.2
55.05510	15.7
56.96563	3.3
58.52427	3.4
62.06044	3.6
67.05505	31.1
69.03435	17.7
69.07069	23.8
69.59962	17.8
69.60377	6.5
70.06583	5.3
71.04993	25.1
79.05499	42.3
81.03429	27.3
81.07059	56.7
83.04991	38.9
83.08628	8.7
84.04514	14.9
85.02908	11.7
85.06533	20.9
86.09705	37.8
91.05479	33.2
93.07043	80.1
95.04971	36.1
95.08610	29.4
97.02886	17.0
97.06542	36.3
98.20837	7.0
98.97572	5.4
99.04453	23.5
99.08098	5.1
100.68488	3.2
101.06010	3.5
102.05526	4.9
105.01825	4.0
105.07035	79.7
105.07679	6.5
107.04955	18.3
107.08598	48.8
109.02893	17.7
109.06537	38.2
109.10169	11.9
111.04465	6.5
111.08101	20.8
113.06020	7.8
115.07610	4.3
116.98617	4.0
117.07018	16.0
119.04960	8.2
119.08589	34.6
120.08141	33.0
121.06508	23.2
121.10124	16.6
123.04475	3.5
123.08086	12.0
125.05987	47.1
125.09690	4.9
127.03912	22.4
127.07545	3.8
128.06171	4.9
128.98584	3.5
129.06979	3.9
131.04990	3.4
131.08582	18.2
133.06532	17.6
133.10080	19.4
134.10516	3.5
135.04413	4.9
135.08032	21.3
135.11713	24.4
137.06046	8.4
139.07535	8.5
141.05455	9.6
141.06999	5.2
143.07057	40.9
143.08633	8.2
144.07477	4.0
144.09337	4.0
145.06453	7.5
145.10124	87.9
147.08032	6.7
147.11696	17.7
149.06010	4.7
149.09636	6.1
149.13290	7.1
151.07570	14.8
151.11172	3.2
153.12720	5.7
154.07858	4.2
155.07089	5.0
157.08649	3.5
157.10162	7.1
159.08075	8.5
159.11713	41.2
161.09581	11.3
161.13316	7.1
163.11198	43.5
165.12772	4.4
166.08641	22.3
169.08739	6.6
169.10175	13.0
171.08066	3.3
171.10344	3.8
173.09648	18.0
175.11171	9.9
177.00688	4.2
177.12758	17.4
179.08583	6.8
179.10703	11.7
181.12230	18.9
187.11195	54.2
189.12767	6.0
191.10654	25.6
193.12244	16.3
197.09686	8.5
197.12845	7.2
205.12234	54.2
207.13847	3.2
209.11804	10.2
211.13309	32.7
215.07465	3.7
215.10672	45.1
215.13731	15.7
223.13287	42.3
225.12416	4.9
227.12746	16.2
233.11719	49.9
237.02777	4.3
239.09544	3.6
241.14352	21.7
243.13446	5.4
247.13091	4.3
251.12819	85.7
267.15933	15.0
269.13870	31.4
295.11288	5.8
309.13242	10.5
313.12860	5.8
318.15924	6.0
319.15097	3.5
326.65955	6.8
327.14227	6.5
337.12833	79.9
345.15555	4.5
355.13879	100.0
356.14542	4.2
408.19049	10.1
409.18338	83.8
427.16513	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	408.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.1
54.33140	0.5
55.05510	35.0
56.05022	1.7
58.99282	1.1
58.99583	17.3
61.01127	1.9
67.05478	0.6
69.07053	1.7
70.06920	3.1
73.01122	1.9
76.02229	9.1
76.04010	3.3
79.05515	0.6
80.05015	0.8
81.07040	2.6
83.06097	2.1
83.08617	47.7
83.70745	0.5
84.04504	25.6
85.01110	1.2
86.99058	13.9
88.02206	4.0
91.05470	1.1
93.07014	1.2
95.08581	1.8
98.21381	0.9
99.02679	1.4
99.05573	1.3
101.09664	1.3
103.02126	0.8
103.20950	0.5
105.00050	0.9
105.07067	0.7
107.08610	2.7
109.06524	0.6
109.10152	2.9
109.94215	0.6
114.03744	0.6
115.05781	1.9
116.01674	66.1
117.03715	0.9
119.08569	1.9
121.10145	4.6
123.08090	0.7
123.85476	0.5
129.06587	4.7
129.07367	1.6
130.04984	4.6
133.10124	2.1
135.11713	1.5
137.09625	0.9
141.07297	1.0
142.03203	4.2
144.01138	31.7
145.06059	1.5
149.13274	2.7
153.06654	0.6
159.08392	40.7
160.08694	0.7
162.02200	100.0
163.02501	0.7
170.02682	1.0
175.14835	4.7
176.11034	5.9
179.04861	0.8
187.07863	1.6
193.15852	4.5
205.08902	1.2
244.10023	1.6
251.54089	0.6
261.10764	0.8
262.11078	56.5
263.11594	1.1
279.13739	31.8
280.13855	0.9
287.04779	0.5
333.14777	12.8
390.16754	0.7
391.15390	1.0
408.17911	7.7
409.11047	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	408.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10470	0.7
55.01872	0.8
55.05514	30.4
56.05027	1.2
56.05840	0.8
58.99587	15.4
67.05492	2.6
69.07059	2.9
71.15533	1.2
73.01145	1.8
75.02691	0.8
76.02225	7.9
76.04008	2.9
79.05478	1.8
81.07069	4.7
83.04956	1.0
83.06128	0.8
83.08622	45.5
84.04508	22.7
85.01116	1.0
86.99060	10.9
88.02204	2.9
91.05489	1.1
92.07887	0.8
93.07027	2.6
95.08618	6.3
99.02711	0.8
99.05591	1.9
101.09660	2.4
105.07037	3.1
107.08601	6.0
109.06512	2.5
109.10156	7.9
115.05835	1.0
116.01680	60.3
119.08563	5.4
121.10152	14.1
123.08044	1.2
123.11716	2.9
125.09560	0.8
129.06560	4.0
129.07367	2.3
130.04971	4.9
133.10153	5.8
135.11694	5.0
137.09618	1.8
137.13280	0.9
139.11172	1.4
141.07298	1.1
142.03249	3.7
144.01155	28.0
145.06062	1.8
147.11690	1.5
148.65645	0.7
149.13266	8.4
151.14807	1.1
159.07065	1.3
159.08400	38.6
162.02209	100.0
163.02544	1.3
165.16513	0.9
170.02724	1.8
175.14821	12.6
176.11089	5.4
179.04704	0.8
187.07845	1.0
193.15889	12.1
205.08900	0.9
244.10072	1.5
261.10764	1.0
262.11090	46.1
263.11401	1.3
279.13770	25.1
333.14786	10.2
356.76608	0.7
368.32489	0.8
380.44574	0.8
408.18015	8.4
409.11017	2.5
425.07666	1.0
427.89981	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	407.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.1
57.03429	4.4
57.07079	6.8
62.20726	0.6
67.05483	2.2
69.07067	1.5
71.08646	4.4
71.10191	0.7
71.34322	2.0
81.07066	4.0
83.08612	2.0
83.41351	0.7
84.59312	0.7
85.10173	2.3
95.08613	5.8
105.07034	1.1
109.10152	3.1
113.00021	90.4
119.08558	0.8
123.11714	1.4
154.02650	1.6
159.11702	0.8
169.02614	100.0
239.23787	0.9
404.95770	0.9
407.36914	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	407.3672
Annotation	4,4'-Diapophytofluene
Peak:m/z	Relative Intensity
52.29431	3.6
52.56124	3.5
54.39007	3.5
55.05502	13.4
56.22154	3.4
57.07068	10.3
66.16405	3.7
67.05504	19.4
69.07070	40.8
71.04827	10.0
71.08610	7.2
79.05494	12.4
81.07062	85.5
83.08612	13.5
86.12545	3.7
91.05457	8.9
93.07057	24.7
95.08611	62.7
95.09178	6.8
97.10149	8.0
102.89493	3.6
105.07023	26.3
107.08601	33.2
109.10158	40.6
113.00011	10.1
119.08578	32.5
121.10172	28.1
123.11697	19.3
129.23225	3.9
131.08563	11.4
133.10132	21.6
135.11713	20.6
137.13249	10.8
143.08618	6.2
145.10124	21.2
147.11682	18.1
149.13235	14.7
157.10094	5.4
159.11656	21.5
161.13261	16.2
163.14850	7.2
169.02617	9.9
171.11653	7.4
173.13234	12.6
175.14835	19.4
177.16393	8.6
179.62106	3.4
185.13226	4.6
187.14900	6.9
189.16388	9.9
191.18129	3.6
199.14828	7.6
201.16376	9.7
203.17934	8.1
213.16391	5.9
215.17958	6.4
217.19525	5.6
225.16341	3.8
227.17897	6.8
229.19499	9.9
241.19475	7.0
244.44693	3.7
257.22668	4.6
269.22629	10.0
283.24268	6.7
297.25864	7.6
299.27170	6.3
325.28860	8.0
407.17007	4.5
407.36719	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	407.2279
Annotation	Staphylionoside J
Peak:m/z	Relative Intensity
51.53396	1.6
53.03940	3.5
55.01868	4.3
55.05510	13.7
56.05021	3.6
57.03424	8.8
58.99593	9.3
61.02924	8.2
67.05497	9.0
68.05867	1.8
69.03428	24.4
69.07079	6.9
70.56526	2.8
70.56896	6.2
71.04985	6.8
76.02232	8.1
79.05497	11.0
81.03437	9.2
81.07053	29.1
82.07403	2.6
83.04973	12.7
83.08617	13.0
84.04504	11.0
85.02908	86.2
85.04796	2.3
85.06573	2.2
86.99073	4.2
91.03938	2.1
91.05487	15.0
93.07053	26.2
95.04984	5.4
95.08611	24.3
97.02893	16.8
97.06552	5.7
98.09715	1.9
99.04450	2.7
99.08092	4.2
105.07037	13.9
107.08600	66.0
108.08974	1.9
109.02912	9.4
109.06518	28.7
109.10145	18.0
111.08094	5.6
116.01693	17.9
117.07073	2.0
117.21909	1.9
119.08555	16.6
121.06522	5.5
121.10148	36.2
123.08092	12.8
123.11726	2.1
125.09623	3.9
127.03931	13.8
129.06577	2.8
130.05013	3.3
130.96582	1.9
131.08591	11.4
133.10159	9.4
135.08061	2.5
135.11700	5.6
135.15222	1.8
137.09619	27.9
139.11160	2.3
144.01167	6.2
145.04973	10.0
145.10167	5.5
147.11708	7.3
149.09607	17.5
149.13257	6.1
151.11244	2.4
156.08443	3.4
156.10228	2.5
157.10611	1.9
158.10976	3.2
159.08415	7.1
161.13268	3.7
162.02188	30.8
163.14815	6.6
165.12677	2.3
167.10689	93.6
170.61916	1.7
173.13277	12.9
174.09592	2.2
179.14276	4.5
185.11737	100.0
186.12048	3.2
191.14293	23.9
192.14755	1.8
201.14905	3.0
204.19286	1.7
204.80347	1.8
209.15375	15.9
227.16417	30.2
227.39972	2.0
245.17493	98.8
246.17874	5.3
259.11206	8.2
260.11453	17.4
261.10800	2.4
262.11145	12.9
279.13785	6.2
306.85547	2.0
307.24933	1.8
333.14847	3.5
391.50772	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76727	0.6
51.80405	0.7
55.05520	6.1
56.05008	1.0
56.96562	1.1
57.03435	0.9
57.05783	1.1
67.05492	2.3
69.03420	2.0
69.07068	3.3
70.06580	2.2
71.04983	1.7
71.59431	1.3
72.08154	78.6
76.02223	2.7
79.05493	2.8
81.03409	2.3
81.07059	4.9
83.04963	2.3
83.06104	4.9
83.08615	1.4
84.04507	3.8
84.08154	0.8
85.02891	3.7
85.06571	0.6
86.09702	15.8
91.05464	3.6
93.07040	4.4
95.04967	3.2
95.08602	3.5
97.02903	1.7
97.06521	2.4
98.97575	2.8
99.04460	1.2
101.07095	0.7
103.05505	1.1
105.07043	4.6
107.04918	0.9
107.08587	5.3
109.06490	2.2
109.10165	3.2
110.06126	0.8
111.08090	1.7
113.05949	0.9
116.01621	0.9
116.98605	2.0
117.07064	0.8
118.06571	1.3
119.08577	4.4
120.08105	100.0
121.06478	0.9
121.08421	2.3
121.10137	2.6
123.08072	2.6
123.11713	1.4
125.06007	1.3
125.09634	3.1
127.03855	0.8
129.06644	1.6
131.08557	1.8
131.11887	0.8
132.10191	1.4
133.06451	0.8
133.10139	2.1
134.99644	1.0
135.08083	1.0
135.11713	1.1
135.15623	0.7
137.09618	1.1
139.11209	1.7
143.07083	1.4
143.08614	0.7
145.10136	2.8
147.11708	2.3
149.09605	1.3
149.13335	0.9
157.10167	1.0
159.11769	1.1
162.02277	1.4
163.11157	1.3
166.08641	3.0
173.13399	0.9
175.14864	1.4
177.00781	1.6
179.04834	3.3
183.13811	1.5
187.11121	0.9
188.03409	1.0
189.12346	38.9
190.12581	1.0
191.11803	30.1
191.14409	1.2
192.14668	2.0
193.12233	2.4
196.14490	1.4
197.12888	2.2
197.15468	0.8
205.12238	1.1
209.15439	2.1
210.15767	1.5
211.13319	7.4
214.08559	0.9
214.15521	0.7
219.11292	40.5
219.14812	1.7
220.11621	1.7
227.08125	0.8
227.16425	1.2
230.12877	1.2
241.09583	0.9
242.15015	2.2
245.17310	0.9
246.11348	2.1
247.14445	1.1
251.12767	2.3
255.07587	1.0
269.09225	2.0
273.16052	1.8
276.13519	1.6
293.09268	0.8
295.11127	1.5
297.08813	2.1
315.09720	1.1
318.18118	5.6
326.15753	1.5
333.10977	0.9
336.19055	1.1
337.12973	1.9
339.09894	1.1
355.13773	3.4
357.10849	0.8
362.99594	0.8
363.21701	0.7
371.12088	0.9
389.13370	5.6
389.17374	0.9
389.21634	1.7
407.17529	2.6
407.22620	5.9
407.68472	1.2
408.19009	2.8
429.50064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1527
Annotation	Pamapimod
Peak:m/z	Relative Intensity
55.43639	0.5
67.35416	0.5
69.07021	0.6
70.49736	2.3
72.00452	0.5
80.44292	0.4
83.06083	0.8
85.02894	1.4
97.02901	0.5
98.97572	1.0
116.07103	0.8
116.98603	0.7
134.99611	0.6
154.51996	0.5
228.70728	0.5
245.03140	0.6
245.05428	0.6
257.74078	0.5
275.11032	8.8
301.11288	1.2
303.37958	0.5
317.08682	0.6
319.12311	1.1
365.12656	0.6
407.15231	100.0
408.15652	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	407.2275
Annotation	Breyniaionoside B
Peak:m/z	Relative Intensity
51.63836	3.4
53.03932	4.3
55.01873	6.8
55.05508	20.1
56.96559	5.1
57.03424	9.4
57.07074	5.0
65.47836	3.0
67.05500	15.9
69.03410	9.8
69.07075	29.6
70.06588	5.0
71.04987	7.6
71.58025	5.4
72.08143	3.6
73.02896	7.4
75.46618	3.1
76.02238	4.2
79.05490	29.2
81.07056	37.3
83.04982	16.3
83.08609	8.6
84.04481	6.2
84.08148	6.8
85.02893	17.8
85.06515	6.3
91.05481	22.0
93.07044	47.0
94.06525	3.1
95.04958	11.3
95.08609	52.0
97.02885	8.2
97.06516	19.8
98.25481	3.6
98.49578	3.3
98.97551	10.1
99.08084	4.7
105.07033	31.8
107.04961	4.7
107.08591	78.6
109.06499	15.7
109.10153	21.2
111.08103	6.6
115.07568	7.6
116.01656	3.7
116.98618	9.4
117.06995	12.2
118.34209	3.4
119.08569	47.8
121.06508	4.4
121.10139	54.1
122.10487	3.4
123.08065	15.9
123.11655	8.3
125.09630	7.5
127.03923	3.8
131.08540	30.8
133.10120	34.3
134.10413	3.7
134.99615	3.8
135.08073	14.3
135.11687	24.8
137.09618	9.0
137.13263	4.2
141.09074	9.9
145.10141	17.0
146.99670	4.0
147.11671	30.7
149.13243	26.9
151.11191	7.6
153.09103	8.5
157.08759	5.2
158.10843	4.7
159.10150	8.0
161.13257	15.2
162.02145	5.6
163.13852	3.9
163.14859	39.5
165.12769	10.7
171.10168	5.4
173.13245	59.8
177.00639	4.8
179.14284	9.4
184.76254	3.3
191.14301	100.0
192.14699	3.8
204.06471	8.0
209.15366	85.6
210.15732	7.0
213.07007	6.7
214.52263	3.5
219.01767	4.9
227.16400	65.6
237.02811	10.5
245.17464	6.1
259.11050	8.6
260.11493	23.4
285.12402	4.6
293.08978	18.2
321.14630	3.3
357.10535	3.8
364.83377	3.9
407.11835	47.3
407.16498	5.7
408.12314	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	406.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00252	1.1
50.88900	1.0
55.01861	1.8
55.05495	2.1
57.03417	1.9
57.07067	2.4
59.05006	1.2
61.02920	2.3
67.05506	5.6
69.03410	5.0
69.07051	4.9
71.04988	27.7
71.14638	2.8
79.05486	5.5
81.03418	2.2
81.07059	9.6
83.04961	3.0
83.08615	1.1
85.02917	11.4
85.06528	1.9
86.09696	2.3
88.03951	1.3
91.05471	6.7
93.07047	8.8
95.04955	5.5
95.08611	10.4
97.02914	2.6
97.06511	3.6
99.04420	1.4
105.07018	7.8
107.04935	2.2
107.08590	26.8
109.02894	1.7
109.06516	100.0
109.10161	24.5
111.08059	3.3
117.07010	3.6
119.08607	5.7
120.08105	2.2
121.06459	2.5
121.10141	29.1
123.08067	15.8
123.11734	2.2
125.09611	3.0
127.03915	1.5
129.07181	1.4
131.08560	12.9
133.10127	14.2
135.08057	37.5
135.11703	4.4
139.11182	37.3
145.10094	4.9
146.10493	1.7
147.11693	4.0
149.09608	4.9
149.13235	4.0
151.11163	2.8
153.09055	2.5
157.12241	5.0
158.10892	2.7
163.11160	2.1
163.14777	5.7
173.13261	27.4
191.14305	81.8
191.21303	1.2
192.14697	2.0
209.15369	56.1
227.13075	5.8
227.16408	49.3
244.07275	1.7
244.10310	1.7
244.15341	1.5
406.22299	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	4.0
54.13156	2.6
54.78555	2.8
55.01880	3.9
55.05505	12.2
55.71144	2.6
56.40516	2.9
56.96561	9.0
57.03416	3.1
57.07071	3.5
59.04955	2.6
60.04536	3.1
61.02935	3.8
67.05508	13.9
68.74493	3.0
69.03433	18.5
69.07067	13.4
70.06583	10.9
70.74043	10.7
71.04984	16.0
74.06100	4.4
76.02196	3.2
79.05505	11.9
81.03410	8.8
81.07053	20.9
83.04982	10.2
83.08612	6.4
84.04503	4.3
84.08133	5.2
85.02908	32.0
85.06547	5.1
86.09721	11.1
87.04440	3.6
91.05491	13.8
93.07031	18.5
95.04982	9.0
95.08618	28.8
97.02906	8.7
97.06520	5.4
98.97588	11.8
99.04453	4.2
100.74691	2.7
105.07037	22.9
105.94450	2.8
107.04992	4.0
107.08591	54.5
109.02888	3.7
109.06528	12.4
109.10168	38.2
111.08090	4.4
115.97672	2.7
116.98632	7.1
119.04935	2.7
119.08585	15.8
120.06556	3.1
120.08147	3.9
121.06486	8.8
121.10147	56.4
122.10490	5.0
123.08064	15.5
123.11706	7.3
125.09621	15.5
127.03936	10.9
131.08556	13.7
133.10147	48.5
134.99675	5.5
135.08058	15.4
135.11740	16.2
136.07567	3.7
137.05974	4.6
137.09627	40.0
137.13280	13.2
139.07574	3.4
139.11194	6.1
141.09135	4.1
143.08534	3.8
145.04968	5.7
145.10124	8.8
147.11687	23.4
149.09627	22.4
149.13272	31.0
151.11166	19.5
153.09105	9.9
155.10680	5.5
157.10086	6.0
158.99774	3.2
161.13271	5.8
163.07565	5.2
163.14845	32.5
165.12753	19.8
167.07039	11.0
167.10619	4.3
173.13266	31.6
175.11272	3.8
175.14795	3.2
177.00789	5.7
181.15860	3.6
189.00620	3.0
189.12790	4.2
191.14314	90.3
207.13811	2.8
209.11845	8.8
209.15376	100.0
219.01794	5.4
221.11732	3.7
222.08212	7.0
227.09203	7.2
227.16310	13.9
233.59125	4.6
237.02863	7.1
244.09662	5.1
249.11270	3.0
259.11118	6.8
269.09201	5.5
294.10278	3.2
299.11752	4.2
315.09818	3.7
325.14801	5.6
326.15613	6.8
339.09753	3.7
353.12430	9.0
357.11066	4.3
388.13364	3.0
389.13577	11.5
406.09744	4.6
406.17667	31.5
406.67746	5.8
407.18777	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	406.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.0
55.01869	3.3
55.05519	11.9
56.96555	2.5
57.03426	6.4
59.04992	4.4
61.02938	4.4
67.05498	18.1
69.03436	15.2
69.07067	19.5
69.48634	14.9
69.49043	3.0
71.04996	15.3
72.08147	2.4
73.02914	2.0
79.05495	27.7
81.03408	5.7
81.07058	43.5
83.04979	8.0
83.08604	5.9
84.48122	2.0
85.02908	37.1
85.06535	6.8
86.09699	4.0
91.05482	14.6
93.07040	32.6
95.04972	9.3
95.08606	37.4
96.55378	2.0
97.02903	9.5
97.06525	8.7
97.10131	3.3
99.03836	4.0
99.04463	66.2
101.06033	14.1
105.07041	28.6
107.08596	100.0
109.02863	5.5
109.06510	14.6
109.10148	21.2
113.06010	3.4
117.07021	2.7
119.08583	17.4
121.06498	6.7
121.10155	51.5
123.08071	8.7
123.11716	5.0
125.09642	4.3
127.03918	8.7
127.07516	4.7
131.08591	18.4
133.10130	20.6
135.08090	11.1
135.11694	14.2
139.11211	5.6
145.05005	10.2
145.10124	14.2
147.11708	11.1
149.09621	5.0
149.13252	9.9
151.11217	6.7
156.54980	2.5
161.13245	27.8
163.11189	18.1
163.14819	20.9
165.12746	16.9
173.13257	20.9
175.14879	2.7
179.14325	78.8
181.04987	2.0
181.12259	4.4
191.10674	23.0
191.14313	64.0
191.33469	2.1
192.14732	3.5
197.15364	31.5
209.12022	11.3
209.15366	81.7
227.12813	17.7
227.16368	13.9
244.09683	15.1
244.15523	3.3
295.57574	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.0
55.05500	3.1
57.03415	2.0
58.45634	0.8
59.04988	2.2
61.02914	1.7
67.05502	2.6
69.03421	3.5
69.07067	7.3
70.16307	5.0
71.04970	1.4
79.05059	1.6
79.05492	22.1
79.52322	0.8
81.03416	2.0
81.07054	35.5
83.04980	1.1
83.08608	1.9
85.02908	9.4
85.06563	1.5
86.09714	2.0
91.05471	4.3
93.07040	12.5
95.08608	12.7
97.02885	3.8
97.06528	9.6
98.20894	1.1
99.04424	1.3
99.71281	0.9
105.07027	7.9
107.08590	100.0
108.08933	1.1
109.06495	4.6
109.10160	4.2
114.72164	1.0
115.07564	3.7
119.08593	7.5
121.10138	25.4
123.08082	3.0
125.09623	3.6
127.03934	2.4
131.08592	1.5
133.10115	5.7
135.11694	7.4
136.12083	1.0
139.11177	1.4
145.04982	1.6
145.10115	1.4
147.11676	2.7
149.13249	3.4
161.13261	12.8
163.11131	1.1
163.13568	1.6
163.14809	15.4
173.13187	5.3
175.14833	6.3
177.12740	2.7
178.53453	1.0
179.14307	95.8
180.14706	2.6
189.12700	1.0
191.14311	29.7
191.16048	1.6
192.14694	1.3
193.15886	12.9
205.15906	1.1
209.15356	41.3
233.12828	1.3
233.15401	2.2
243.11320	1.1
317.17398	1.2
335.18481	3.2
353.19620	3.7
362.17102	1.4
371.20581	1.1
419.86740	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	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.6
55.01894	3.7
55.05505	15.7
56.05042	5.4
56.96559	9.9
57.03431	6.7
57.07071	3.7
59.05003	5.3
62.45522	3.9
63.88078	3.2
67.05495	10.5
69.03417	16.7
69.07056	13.7
69.67934	27.0
70.06587	6.7
71.04980	6.5
79.05491	16.0
81.03422	6.4
81.07071	22.0
83.04964	13.6
83.08601	12.9
84.04498	4.1
85.02898	18.4
85.06524	8.4
91.05484	29.8
93.07045	27.9
95.04951	21.2
95.08624	18.6
97.02883	6.6
97.06519	10.4
98.97582	66.8
99.04466	5.7
103.05424	6.3
105.07033	63.4
106.07356	4.1
107.08601	51.3
109.06514	34.5
109.10179	18.2
116.98619	37.0
117.07006	12.6
119.08583	64.5
120.08921	5.3
121.10132	48.1
123.08060	19.1
123.11703	12.4
125.09621	4.1
128.98584	4.3
131.08556	16.3
133.10136	46.2
134.99628	13.1
135.08081	8.5
135.11676	3.8
136.07564	10.2
137.09628	8.6
139.07523	4.1
139.11197	4.8
143.00185	5.5
143.08536	6.5
145.04948	5.1
145.10139	19.5
147.11688	100.0
148.12027	5.7
149.09579	15.7
149.13231	10.3
151.11188	14.5
153.09123	10.3
156.09326	3.9
158.10979	4.1
158.99615	22.0
160.07555	3.8
161.01199	6.6
162.05482	6.9
163.07498	3.8
163.11145	9.9
163.14865	11.1
165.12761	8.7
166.08658	11.7
167.07036	16.0
167.10666	10.7
167.14322	11.8
173.13252	28.6
175.14815	6.3
177.00694	26.6
181.04974	5.9
189.12727	16.0
191.14349	37.7
194.08102	8.4
197.04810	4.9
204.07135	3.9
207.03302	5.4
207.13771	25.1
208.14186	9.8
209.15456	58.9
213.07764	21.8
219.01712	12.3
223.08955	4.0
225.04330	5.7
227.09103	6.0
227.16409	20.3
237.07933	8.4
244.09584	6.1
259.11072	7.6
263.09735	20.4
266.07062	4.6
281.10690	17.7
287.09482	6.2
305.10608	49.3
306.10864	4.6
323.11719	19.2
341.12885	4.3
351.69128	3.9
352.89398	4.0
357.10489	5.0
361.85025	4.0
365.12695	15.6
388.23166	6.2
389.13281	5.8
406.14166	5.0
425.14874	23.7
427.16342	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	406.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.6
55.01868	3.3
55.05512	2.8
56.04777	0.7
56.05031	7.1
56.96540	0.9
57.03440	5.8
57.07068	1.4
58.99588	9.0
59.04948	0.5
60.04525	0.6
61.01143	0.9
61.02920	1.2
67.05502	2.2
68.05025	1.6
69.03432	3.6
69.07072	4.8
70.02943	0.6
70.06586	1.3
70.99557	0.7
71.04996	2.7
71.43839	0.8
72.08163	0.9
73.01133	1.7
73.02912	1.0
74.00648	1.4
74.02454	1.0
76.02229	18.4
76.03993	1.7
79.05498	7.8
80.05001	0.7
81.03410	0.7
81.06573	1.1
81.07058	23.2
81.64828	0.5
82.06587	0.5
83.04958	1.8
83.06090	1.8
83.08594	1.1
84.04503	25.5
84.08129	1.4
85.01127	3.6
85.02907	8.8
85.06532	1.2
86.00656	4.4
86.06039	0.8
86.09708	0.9
86.99062	5.7
87.02698	5.9
88.02196	1.7
91.05475	7.2
93.06467	0.7
93.07047	12.5
94.06531	1.2
95.04948	1.6
95.08603	7.8
96.08139	1.2
96.08862	0.5
97.01109	1.1
97.02872	1.8
97.06535	3.3
98.09695	11.5
98.97577	0.9
99.04432	1.1
99.08089	4.4
100.02216	0.7
102.05544	4.2
105.07024	11.6
107.08599	18.6
108.08104	1.3
109.02875	0.8
109.06522	1.9
109.08891	0.5
109.10112	1.1
110.09679	1.9
111.08060	2.0
112.03976	3.5
112.07573	0.5
113.04240	5.8
114.03726	1.0
115.05717	0.8
116.00877	1.0
116.01684	18.1
116.06279	0.6
116.98594	1.0
117.07021	3.5
119.08582	11.0
121.06483	1.1
121.09321	0.6
121.10146	8.8
122.00901	0.5
122.06027	0.6
122.09657	1.4
123.08066	3.3
123.10490	0.5
123.11667	1.2
127.03931	1.5
127.05752	0.9
129.06607	1.8
130.05022	6.8
130.06833	2.9
130.07773	1.2
130.08620	1.0
131.08572	29.5
132.08923	0.7
133.10139	8.0
135.08046	6.3
135.11696	2.8
136.13696	0.5
139.05769	1.3
142.03221	1.9
142.08699	0.6
143.02725	0.8
143.08551	3.0
144.01146	6.9
144.09415	1.2
145.05003	1.0
145.06073	1.5
145.10107	7.0
147.11676	3.6
149.09641	1.5
149.13232	1.9
154.08582	1.3
156.08418	18.6
156.10199	13.3
157.06839	7.8
157.08832	1.0
157.10303	1.0
158.10895	4.9
158.99614	0.7
161.13255	9.6
162.02205	16.9
162.13657	0.5
163.02444	0.8
163.11137	0.7
163.14804	5.3
167.10678	1.8
170.02711	0.6
171.11732	0.9
173.13266	54.7
174.09492	10.3
174.13612	1.8
175.14847	3.4
179.04837	5.7
179.14311	1.9
184.07869	0.8
185.11722	1.5
187.05304	0.7
189.03294	1.4
191.14310	49.4
192.14673	1.6
209.11693	1.1
209.15266	2.7
210.11249	2.2
215.04768	0.7
216.06953	4.0
227.12798	0.7
227.16458	1.3
228.54834	0.5
233.05917	2.0
237.02747	0.7
242.08530	1.4
244.15399	0.6
245.17545	1.3
259.11124	100.0
260.09500	0.7
260.11548	5.0
277.12268	1.3
285.12628	2.3
293.08948	0.7
308.08957	0.7
313.12192	3.7
331.13208	4.7
332.13599	0.6
360.06100	0.6
368.56696	0.5
388.15350	1.5
389.13681	0.8
406.16464	7.1
407.18155	1.0
418.09293	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.3
55.01866	3.9
55.05495	6.1
56.96545	4.1
57.03422	5.8
57.07088	2.9
59.04990	4.9
61.02945	3.6
62.06098	1.5
67.05515	8.4
69.03435	26.3
69.07070	8.4
70.06580	5.7
71.05000	36.7
71.08616	5.6
71.60832	2.9
72.08155	3.3
73.02914	2.1
73.06535	2.5
79.05499	11.5
81.03420	20.8
81.07060	35.4
83.04990	8.4
83.08633	3.8
85.02908	37.8
85.06561	9.4
86.09695	4.1
87.00818	4.4
87.04454	2.4
91.05479	12.0
93.07047	16.1
95.04964	11.0
95.08608	21.6
97.02901	14.6
97.06542	9.4
98.97588	3.0
99.04454	8.8
99.08105	8.6
101.05944	1.5
103.05450	1.6
105.07053	17.4
107.04959	3.0
107.08604	31.7
109.02892	21.2
109.06524	100.0
109.10152	30.0
111.04440	2.8
111.08089	5.1
113.09658	2.4
115.07562	10.4
116.07033	1.6
117.07005	3.1
117.09142	2.3
119.04955	3.7
119.08558	10.2
121.06505	2.2
121.09315	2.7
121.10150	41.9
123.08081	16.8
123.11713	5.4
125.09608	5.1
127.03925	43.2
127.07550	2.1
127.11188	1.5
131.04930	2.9
131.08578	16.1
133.06470	2.3
133.10129	32.1
134.99670	1.7
135.08060	39.8
135.09096	2.0
135.11687	6.8
137.05957	4.6
137.09636	2.8
139.11188	38.4
139.12212	3.1
141.09111	16.9
143.08572	1.6
145.04959	2.7
145.08981	1.7
145.10098	10.4
147.11664	11.5
148.06175	1.7
149.09645	7.9
149.13284	8.6
150.10323	1.7
151.07553	3.7
151.11172	4.8
152.59644	1.6
153.09134	6.5
157.12259	7.5
158.10887	3.8
159.11749	1.5
161.05960	3.9
161.09511	1.8
163.14828	11.9
165.05489	2.1
165.12730	2.3
167.07056	4.0
173.13278	38.3
177.05386	2.2
178.04967	1.7
179.07048	6.6
187.09637	6.6
191.14313	97.7
192.07779	3.9
192.14673	4.2
193.08611	5.5
208.97327	1.5
209.15373	69.7
210.15717	2.9
213.03955	1.9
226.05133	2.9
226.18044	5.0
227.16443	56.1
231.05089	8.1
234.98969	3.5
237.02884	3.1
243.12415	2.6
244.09682	3.5
255.09109	3.0
281.10751	4.0
297.08609	3.0
299.11835	3.3
316.14328	2.6
325.14871	13.6
325.64798	4.2
326.15601	5.4
346.10910	2.1
357.13226	2.2
363.07434	1.7
371.12927	3.0
389.13824	6.0
406.17380	6.3
406.67426	3.7
407.13177	2.7
407.18109	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	406.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.1
55.01878	2.6
55.05489	2.1
56.05026	1.9
57.03426	4.2
57.07063	1.6
58.99584	1.9
60.82614	1.0
61.02909	1.0
65.03938	0.8
67.05504	7.8
69.03416	4.0
69.07066	8.7
70.06564	1.2
70.98398	1.9
70.98766	1.8
71.04994	9.6
73.02906	1.2
76.02217	3.6
79.05496	9.1
81.03440	2.2
81.07051	8.0
83.04964	2.9
84.04511	5.9
85.02431	1.4
85.02908	20.0
85.06546	53.4
86.09696	1.9
86.99070	0.9
87.02675	1.7
87.04498	0.9
90.25647	1.1
91.05470	6.3
93.07048	9.4
95.04956	4.3
95.08605	3.0
97.02876	4.1
97.06535	3.3
98.09704	2.1
99.04368	1.1
99.08113	4.7
105.07045	7.3
107.04939	3.9
107.08583	12.1
108.37643	1.0
109.02880	1.4
109.06530	3.0
109.10172	1.6
111.04440	4.3
116.01661	5.2
116.98625	0.9
117.07025	2.5
119.08582	8.5
121.06537	6.0
121.10155	10.2
123.04438	1.1
123.08010	1.5
125.05976	2.8
125.09647	0.9
127.03900	3.2
129.05447	1.2
129.06990	2.9
131.07581	1.8
131.08571	34.4
133.10127	7.5
135.08107	2.3
135.11679	4.5
136.07588	1.2
137.05978	3.1
137.09604	3.4
139.43111	0.9
143.06990	2.3
144.01170	2.3
145.04929	2.8
145.10126	13.0
147.08034	3.4
147.11647	2.4
149.05945	1.4
149.09625	29.2
153.05479	1.9
155.07042	2.3
156.08400	2.4
156.10202	1.3
157.06799	1.5
160.85558	1.0
162.02219	3.2
163.11179	11.4
163.14867	1.8
165.09160	5.2
167.06885	1.2
167.10684	15.7
173.09653	4.4
173.13266	5.1
174.09422	1.7
174.91315	0.9
175.14778	2.2
179.04875	4.0
179.10606	1.0
181.04898	1.7
187.04539	1.4
191.10666	35.6
191.14310	8.8
193.12227	1.7
197.11839	1.9
200.13641	1.3
209.11736	54.5
209.15337	4.7
216.06897	1.1
221.05171	1.0
227.12787	100.0
228.76575	0.9
244.09831	1.4
259.11157	19.9
265.06253	0.9
267.15924	1.6
311.87479	1.1
313.12048	1.4
331.13232	1.7
355.47379	1.0
388.23227	2.7
406.18890	3.2
407.07874	1.2
417.16589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.24
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08840	0.6
55.01885	4.0
55.02101	0.8
55.05513	7.5
57.03442	6.2
57.07081	3.2
67.05510	5.0
69.07073	9.2
71.08649	1.7
78.99113	0.6
79.05498	3.7
81.07060	4.3
83.08625	8.0
91.05523	1.6
93.07035	3.3
95.08598	5.0
97.06538	0.6
97.10191	5.4
107.08596	2.2
109.10174	2.1
111.11729	1.6
113.00020	94.9
121.10159	4.0
123.11710	1.0
129.01849	2.8
130.02193	1.1
131.01082	1.2
131.02274	1.1
135.11702	2.7
137.13284	1.2
139.01517	0.9
143.08554	0.7
154.02583	0.7
157.01390	0.8
157.10019	0.6
168.48567	0.6
169.02615	100.0
170.02974	1.2
173.06071	0.6
185.08092	0.9
186.08527	0.8
187.08672	0.7
219.21069	1.8
229.48555	0.9
237.22165	6.8
405.36249	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	406.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.3
55.05505	1.6
56.05037	4.2
57.03436	4.4
58.99582	8.5
66.19466	0.6
67.05498	1.7
68.05038	1.4
68.05475	0.6
69.07047	1.7
70.02946	0.7
71.05000	0.6
71.10819	1.3
72.08125	0.9
72.66053	0.6
73.01139	1.1
73.02904	0.6
74.00655	1.8
76.02227	20.6
76.03983	1.0
79.05492	4.5
80.05001	0.9
81.07050	16.6
83.06087	1.0
83.08610	0.8
84.04504	22.8
85.01122	2.5
85.02893	1.9
85.06535	0.7
86.00652	4.5
86.99046	4.7
87.02686	5.1
88.02205	1.8
91.05479	1.4
93.07037	2.3
94.06548	0.9
95.08610	4.4
96.08128	0.7
97.01112	1.0
97.02880	0.9
97.06521	2.1
98.09689	10.2
99.05588	0.6
99.08092	3.8
102.05540	5.4
105.07021	2.7
107.08591	2.7
110.09679	2.0
112.03945	3.6
113.04221	5.8
114.03703	0.7
115.05786	1.2
116.01675	20.6
116.02489	1.1
119.04974	0.7
119.08605	1.1
121.10136	2.2
122.09616	1.2
123.08059	1.6
127.03911	0.8
127.05782	1.0
129.06583	2.3
129.07407	0.9
130.05017	6.5
130.05875	1.0
130.06856	3.9
130.08635	1.6
131.08568	5.8
133.10118	3.4
139.05731	1.7
142.03244	1.4
143.02742	0.9
144.01143	8.4
145.06018	1.2
145.10091	1.8
149.09627	3.0
153.06721	0.9
156.08412	19.6
156.10191	10.1
157.06836	8.8
157.08762	1.0
162.02197	22.7
163.11249	1.3
170.02715	0.8
174.02130	0.6
174.09480	12.3
179.04854	10.0
188.03763	1.1
189.03255	0.9
191.10693	2.3
191.14293	1.5
208.06961	0.7
209.07076	0.9
209.11743	8.8
210.11218	1.9
215.04703	0.7
216.06895	6.2
227.12737	3.0
233.05905	2.0
242.08458	1.3
245.06082	0.7
259.11111	100.0
260.09167	1.1
260.11456	2.7
277.12115	1.9
285.12616	1.9
290.95749	0.6
291.06335	0.9
308.09079	0.8
313.12103	4.6
331.13251	5.4
343.13120	1.1
388.15421	2.1
406.16620	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	405.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96927	7.9
55.05486	8.8
56.79432	8.6
61.25586	9.1
69.03419	12.2
71.04990	20.0
71.33713	21.9
79.05486	17.9
81.03409	14.3
81.07034	19.0
85.02892	32.1
86.09653	8.3
91.05467	13.0
93.07041	41.5
95.04924	20.5
95.08585	17.7
97.02891	14.2
97.06552	12.3
105.07010	48.0
107.04973	15.3
107.08593	30.9
109.06508	16.3
109.10166	13.6
118.51528	8.7
119.08589	44.6
121.06511	10.8
121.10159	15.7
123.08065	12.5
125.09679	8.9
127.03962	12.2
128.98665	9.4
131.08577	23.9
133.10126	20.7
135.08057	52.2
137.09564	10.3
145.10083	13.2
147.11642	48.7
149.09645	25.8
159.11728	19.7
161.13254	22.3
167.10593	11.9
171.11684	18.4
177.12764	45.9
189.12732	39.7
207.13823	80.8
225.14871	100.0
334.89377	9.5
405.17471	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	405.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	3.8
55.01892	1.8
55.05513	49.6
57.07083	20.8
59.05004	3.7
61.02928	2.2
64.70134	1.7
67.05508	5.3
69.03435	42.1
69.07071	58.7
70.62255	5.7
71.04990	3.5
71.08632	15.1
73.06544	4.0
73.27661	1.8
79.05494	7.2
81.03419	21.1
81.07062	16.9
83.08625	100.0
84.08936	1.7
85.02908	17.6
85.06551	2.9
87.00844	3.5
91.05489	6.7
93.07070	8.3
95.04989	4.0
95.08588	9.5
96.51728	1.8
97.02887	15.0
97.06548	6.7
97.09603	2.6
97.10176	17.4
99.04452	12.3
105.01875	2.6
105.07033	11.9
107.04968	4.3
107.08613	6.1
109.02895	12.2
109.06497	3.0
109.10181	6.5
111.04532	1.9
117.07013	2.2
119.08600	5.7
121.06498	5.4
121.10173	4.2
123.11723	3.7
125.05933	2.3
127.03935	13.6
131.04994	2.0
131.08594	3.0
133.06503	3.6
133.10170	4.9
135.04395	1.8
135.08047	3.0
135.11705	3.4
137.05960	4.9
139.14819	15.5
142.07846	2.5
143.08542	2.5
145.04941	2.3
145.10153	5.5
147.11703	2.9
149.06041	3.4
149.09610	1.9
156.09206	1.9
157.10083	2.8
157.15909	17.4
159.11713	3.7
165.09213	2.2
167.04666	2.0
167.07065	2.7
173.13222	1.7
175.07561	2.4
175.14912	2.0
179.10704	2.2
182.10136	1.7
183.08008	3.1
185.09583	2.3
185.13254	1.7
193.12022	2.0
203.14346	2.1
209.84947	1.7
231.05002	40.4
242.09116	1.7
243.10120	14.2
255.10089	2.7
387.25754	3.0
398.12735	1.9
405.15231	2.5
405.26501	2.2
405.31540	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05509	1.1
56.10542	0.4
56.96558	0.6
57.03441	1.0
59.60768	0.4
61.02914	1.0
62.87651	0.4
67.05507	2.2
68.48242	0.4
69.03437	2.4
69.07053	0.8
69.46510	3.6
70.06592	0.6
70.61951	0.4
71.04980	1.3
72.08141	0.6
72.82990	0.5
73.02920	0.7
79.05487	2.0
81.03417	0.9
81.07056	1.9
83.04976	2.1
83.08620	0.9
84.08157	0.9
85.02903	5.3
85.06533	0.8
86.06027	0.7
86.09714	0.8
91.03963	0.7
91.05484	1.0
93.07047	1.9
94.39060	0.4
95.04973	2.1
95.08607	3.1
97.02897	2.2
97.06538	2.1
98.20747	0.9
98.97585	0.5
99.04487	0.6
99.08102	0.8
101.68181	0.5
104.93219	0.4
105.07030	1.5
107.08595	2.5
109.06513	2.4
109.10156	1.1
111.04434	1.2
111.08124	0.8
119.08586	2.7
119.64178	0.4
121.06491	0.9
121.10142	4.3
122.10486	0.5
123.08074	100.0
124.08422	2.8
125.05963	0.7
125.09695	0.6
126.17816	0.4
127.03956	0.8
133.10124	1.1
135.04431	0.9
135.11656	1.1
136.07581	1.0
137.06047	0.9
137.09615	1.3
145.04967	1.2
145.10197	1.0
147.11694	1.6
148.11983	0.6
149.01187	0.7
149.09624	1.7
151.07561	0.5
151.11214	2.0
156.06169	0.5
161.13319	0.5
163.11209	1.5
164.07127	0.9
165.12820	0.7
167.07033	0.6
167.10678	1.3
171.06706	1.0
177.12793	1.4
180.07285	1.4
181.12234	11.7
189.12775	1.4
207.13815	5.2
211.08652	0.7
214.24463	0.5
225.06601	0.6
225.10316	0.6
225.14851	17.1
239.08191	1.9
242.18260	0.7
245.12920	2.1
246.12524	0.6
252.09340	3.7
252.59598	0.7
253.09824	1.0
257.05594	0.5
257.09280	1.0
267.07648	1.0
271.10876	0.9
281.09164	1.1
285.09943	0.8
287.96069	0.5
299.07111	0.5
299.10205	2.4
309.08710	2.1
311.84085	0.5
323.13812	0.8
327.09760	4.4
341.77194	0.5
345.10822	6.0
355.09216	0.5
361.10660	1.3
373.10242	7.3
404.23071	1.2
404.28439	0.5
405.12796	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35239	1.7
55.01867	2.7
55.05502	6.8
57.03437	3.7
64.31196	1.8
67.05498	7.4
69.03455	5.3
69.07069	4.1
70.06611	2.1
71.04995	2.2
71.59187	2.8
81.03418	4.1
81.07050	8.8
83.04971	7.3
84.04495	2.4
85.02911	19.7
85.06482	2.6
91.05466	6.7
93.07038	10.5
95.04943	3.6
95.08611	17.7
96.08927	7.5
97.02888	3.7
97.06524	6.7
98.38883	1.8
99.04507	2.5
105.07043	9.5
107.04984	4.4
107.08607	9.9
109.06511	16.7
109.10165	8.1
111.04493	2.8
111.08082	5.8
119.08584	9.8
121.06535	3.4
121.10169	14.3
123.08076	7.8
123.11714	16.5
124.07622	2.3
124.08430	4.4
127.03929	2.5
128.07086	2.1
131.08537	2.5
133.10146	4.2
135.04387	3.3
135.08150	2.1
135.11697	2.8
137.05992	3.1
137.09607	29.9
138.09090	3.1
145.05095	2.3
145.10136	5.7
147.07944	2.1
147.11694	17.3
149.09581	6.8
155.10693	3.5
156.10220	7.5
161.13272	6.4
163.11221	3.4
165.12764	100.0
166.13074	2.1
167.07025	7.7
168.07362	4.2
174.10443	3.5
179.14307	7.3
181.05106	2.1
189.12752	15.7
201.11200	3.9
202.11478	2.3
207.13820	50.2
209.41191	2.0
225.14926	2.7
236.53696	1.9
242.17537	7.2
293.69235	2.0
300.71982	2.2
372.19827	2.1
374.12576	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	2.0
55.05512	4.3
57.03427	1.9
57.07067	1.5
59.04991	1.3
60.04500	2.4
66.19004	1.1
66.40767	1.3
67.05495	5.5
69.03426	3.7
69.07066	3.4
70.06593	1.7
70.85099	2.3
70.85414	2.0
71.04987	6.6
79.05504	4.8
81.03421	1.9
81.07057	8.7
82.06596	2.3
83.04983	1.6
84.04502	1.8
84.43323	1.2
85.02906	31.3
85.06532	1.7
86.09723	6.1
91.05482	7.7
93.07050	7.9
95.04956	4.6
95.08614	5.6
97.02894	3.2
98.97634	1.6
105.07026	12.9
107.08595	13.6
109.06519	3.4
109.10168	4.4
110.09668	3.7
111.04438	1.8
111.08046	1.5
119.08582	15.3
121.02869	1.6
121.06480	1.7
121.10143	11.2
123.08092	3.0
123.11701	22.7
125.06023	2.3
125.09673	2.5
127.03954	1.6
129.07004	2.0
130.99879	1.2
131.08559	10.3
133.06500	1.3
133.10144	3.2
135.08047	13.6
135.11708	1.9
137.09653	1.5
138.09137	96.5
139.07532	4.1
139.09477	4.4
139.11148	1.6
143.08585	5.8
145.04950	1.5
145.10129	6.1
147.08058	7.5
147.11668	12.7
149.09615	14.5
156.09290	10.5
157.08585	1.5
161.13266	4.4
163.11172	2.5
165.09129	2.7
165.12794	2.9
171.11682	19.0
174.10365	1.9
189.12749	28.9
207.13808	100.0
208.14178	3.5
223.13356	1.6
224.13672	3.9
225.14830	2.3
242.14720	1.8
242.17377	1.5
277.08679	1.3
321.07309	1.5
348.09317	3.4
376.08960	4.1
404.08383	16.7
404.23105	2.6
405.09314	6.6
405.17239	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	404.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
55.01853	0.8
55.05508	4.5
57.03419	1.0
59.04987	2.5
62.13560	0.8
64.65707	0.7
67.05486	2.9
69.03426	5.9
69.07056	2.4
70.06564	1.2
71.04977	2.9
71.47896	1.0
71.48258	1.0
74.06104	0.9
79.05474	3.7
81.03397	2.8
81.07052	5.0
83.04963	2.5
83.08582	0.9
85.02907	17.8
85.06529	1.3
86.09718	2.4
87.00824	2.5
88.38591	0.8
91.05469	7.8
93.07056	6.3
93.63490	0.7
95.04964	2.7
95.08605	4.8
97.02882	3.6
97.06520	1.8
97.10189	1.3
99.04439	1.9
101.06008	1.1
103.05462	0.8
105.01846	1.3
105.07030	18.8
107.08593	13.0
109.02881	1.6
109.06526	5.6
109.10161	3.8
111.08069	1.5
113.15266	0.8
115.05376	0.8
117.07025	2.5
119.08574	24.9
121.06517	2.2
121.10135	11.7
123.08070	4.7
123.11726	7.7
125.09597	1.9
127.03893	3.0
129.05519	1.0
129.07007	2.2
130.07776	1.0
131.08562	10.3
133.06509	1.6
133.10155	7.0
134.10452	1.1
135.08063	15.2
135.11691	3.5
137.09625	3.7
138.09116	4.1
139.11195	1.3
141.06952	1.4
142.07713	1.5
143.08551	6.1
145.04927	2.2
145.06429	1.2
145.10139	8.4
146.10835	1.1
147.08063	11.9
147.11681	21.1
148.08347	0.9
148.58228	0.8
149.05998	0.8
149.09610	11.3
151.07570	1.5
155.08501	1.2
156.09198	13.8
156.10265	4.1
157.09579	0.9
159.08029	1.1
159.11682	2.3
161.09598	1.0
161.13235	7.2
163.07484	0.8
163.11162	2.7
165.09076	1.6
165.12735	3.0
167.10703	1.0
170.90337	0.9
171.10257	1.6
171.11687	27.5
174.10400	1.7
177.12883	1.0
187.07475	0.9
189.12741	27.9
190.13078	1.1
191.14398	1.1
207.13797	100.0
208.14091	3.9
225.14835	3.1
242.05821	1.5
242.08101	10.5
242.17450	1.7
243.08389	1.2
247.09674	0.9
248.09296	1.3
253.03381	0.8
270.41754	0.7
368.30200	1.3
386.31427	1.1
387.11893	1.1
404.14722	0.9
404.22742	2.3
405.12982	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	404.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69399	1.1
51.93827	1.0
55.05508	5.4
55.86504	1.2
56.16684	1.1
57.03430	2.0
57.07064	1.1
67.05497	3.5
69.03426	2.4
69.07060	3.5
70.06579	1.9
71.04990	1.5
71.29705	2.5
71.41452	1.1
72.08156	1.1
79.05489	3.8
80.04932	1.2
81.03405	1.5
81.07063	8.7
82.06580	2.1
83.04985	7.7
83.08631	1.5
85.02908	21.7
85.06528	1.8
91.05482	3.7
93.07027	4.3
95.04973	2.7
95.08610	6.7
96.08958	1.1
97.02892	2.6
97.06527	4.2
99.04445	1.9
105.07035	7.5
107.04959	1.6
107.08589	11.0
109.06514	13.2
109.10159	7.1
111.08052	5.5
119.08581	11.1
121.06493	1.9
121.10139	14.9
123.08022	7.0
123.11700	18.5
125.09583	1.6
128.06195	1.3
128.07108	2.5
131.08621	2.0
133.10109	2.6
135.08067	1.8
135.11711	2.3
137.09619	33.1
143.08546	1.5
144.06541	3.6
145.10088	2.3
147.08012	2.2
147.11673	16.3
148.12009	1.1
149.09645	6.7
151.07570	2.1
151.11244	1.6
155.10849	1.2
156.09274	1.2
161.09596	2.3
161.13281	6.8
163.11215	4.4
165.09154	2.7
165.12756	100.0
166.13097	2.3
167.07060	2.1
168.07405	1.7
171.11739	2.8
174.10402	3.2
179.14337	9.4
189.12735	16.8
207.13811	52.1
208.14142	2.5
225.14970	1.8
242.17523	2.0
254.12140	1.4
327.09995	1.5
345.10773	3.0
366.02335	1.4
387.20819	1.1
404.16129	1.9
405.13266	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	404.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.7
55.87511	0.6
56.96560	14.0
57.03431	0.7
61.02903	0.8
67.05498	1.1
69.03411	0.9
69.87205	0.6
71.46153	1.6
71.95238	1.9
79.05444	1.3
81.07036	1.1
91.05470	0.9
93.07018	0.9
94.04182	1.2
98.97578	43.3
109.10107	0.8
116.98619	54.3
119.08493	0.7
122.03659	4.7
122.88308	0.8
134.99654	50.3
137.05972	43.6
140.00180	5.6
152.12949	0.7
153.00722	11.8
158.01251	10.3
176.02272	3.0
176.07060	1.3
181.02806	1.2
197.01180	3.6
208.10197	1.0
211.02783	1.3
220.00504	1.9
224.09529	0.9
226.11139	13.8
235.02759	43.9
238.01511	3.1
242.10558	1.5
244.12206	11.2
249.12749	1.0
253.03836	100.0
254.04303	1.9
267.13718	3.2
268.12192	3.3
271.04855	7.1
276.05435	26.8
277.05521	1.1
280.12268	2.0
286.13181	0.8
329.13037	1.5
344.15482	5.8
362.16275	1.6
404.17435	98.6
405.17886	5.5
422.18619	0.8
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
53.03945	0.6
57.03411	0.6
61.02917	1.4
62.74954	0.5
65.03934	0.7
69.03423	1.5
69.66552	1.3
69.66965	3.4
70.06584	1.8
81.03412	1.3
81.07071	0.8
84.04510	0.9
85.02440	0.6
85.02917	9.4
86.09693	2.6
91.03979	0.7
91.05480	13.2
93.64276	0.6
97.02883	2.5
118.04152	0.9
119.04947	20.5
120.05244	0.7
121.06560	0.7
121.10168	0.5
123.11697	2.6
127.03944	1.5
130.85825	0.9
132.02069	1.1
145.04927	1.7
147.04414	20.8
148.04639	0.6
149.02341	1.4
154.06853	1.8
157.03989	1.0
164.04648	1.5
175.03915	38.6
176.04292	1.8
177.01834	0.8
179.07037	1.8
180.08679	1.5
192.04189	11.1
200.83110	0.6
207.06538	100.0
208.07008	3.4
222.95869	0.6
225.07584	45.7
225.14853	1.1
226.07918	1.8
231.08017	0.8
244.07468	0.6
257.09573	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	403.357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.54550	2.8
67.05535	4.2
69.07059	7.4
71.51775	2.3
71.54974	4.6
74.77769	2.4
79.05495	4.0
81.07052	11.2
93.07033	9.1
95.08623	13.5
107.08595	11.4
109.10168	10.4
111.08082	6.3
112.54916	2.6
119.08564	5.4
121.10172	6.5
123.11726	3.5
135.11713	5.9
139.65273	2.3
144.66646	2.7
149.13278	12.8
163.14801	3.9
205.19583	5.3
360.14722	3.2
373.14661	9.3
374.15631	2.9
382.99384	2.8
385.34708	3.3
387.15927	12.8
388.16702	16.3
389.17352	6.1
401.17908	3.4
402.18277	6.3
403.19244	100.0
403.35706	5.1
404.19687	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	404.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.6
55.05518	2.0
56.96571	2.6
57.03440	3.6
58.99580	3.9
61.02929	3.3
64.24686	1.6
67.05499	5.0
69.03420	5.8
69.07071	7.2
69.31400	18.0
70.06593	15.8
71.04988	4.4
72.08157	4.6
74.06132	1.7
79.05481	3.4
80.10731	1.7
81.03397	3.4
81.07068	3.2
82.27776	1.8
83.06113	2.5
84.04510	12.6
85.01139	1.8
85.02905	24.8
86.00666	2.6
86.09720	15.9
87.10041	3.2
91.05485	13.8
93.07060	5.7
95.04950	3.3
97.02877	7.1
98.97597	3.3
105.07010	3.1
107.08558	2.7
109.02883	3.1
112.07613	2.7
116.01688	6.1
116.98608	2.4
119.04967	20.2
119.08602	3.0
121.10187	2.8
123.11703	6.4
124.07571	3.3
127.03893	4.1
127.05775	9.2
128.05331	1.9
129.03712	6.7
129.06602	2.7
130.04991	4.3
130.06807	1.7
138.09125	2.8
144.01144	3.3
145.04906	3.1
145.10080	3.4
147.04382	16.6
147.11682	1.9
154.06856	22.3
155.05287	2.3
155.07050	3.3
156.10181	4.3
162.02245	2.6
164.04636	2.3
172.07904	6.9
175.03914	33.6
189.12572	2.1
192.04131	9.2
199.13181	2.3
200.07408	4.7
207.06540	100.0
207.13863	4.6
211.09122	3.8
225.07582	42.2
226.08138	2.0
229.65668	1.9
231.07991	16.8
237.02950	2.6
238.08954	2.0
242.13879	2.4
247.11198	2.7
257.09561	37.4
258.09738	2.3
271.01251	1.8
275.10629	5.4
280.25613	2.0
304.70895	2.1
329.11612	5.7
331.91931	1.7
373.20081	1.8
404.14255	9.7
404.26434	6.6
405.17560	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	402.1973
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	7.4
57.03433	15.9
59.05005	2.8
60.04494	3.2
61.02927	14.1
64.86329	2.8
68.79256	2.8
69.03428	30.2
70.06581	5.4
72.08160	3.6
73.02917	70.6
73.06557	100.0
76.04002	3.9
81.03391	4.5
84.04464	3.0
84.08147	3.6
85.02908	80.3
86.09708	9.2
87.04466	6.0
91.07606	13.9
96.02697	2.7
97.02279	5.1
97.02892	69.3
98.03209	3.9
98.97596	3.3
109.02847	5.8
115.03933	34.8
119.27766	2.4
127.03918	25.8
133.04956	31.7
139.50992	2.8
145.04959	37.2
145.06038	4.5
145.08661	3.0
147.04291	3.5
151.03894	2.6
163.06020	12.8
169.04964	3.2
187.09634	9.8
191.05795	2.6
223.02405	3.8
223.06119	4.5
223.11752	8.4
234.14749	2.7
237.02844	4.8
241.07086	8.9
253.12805	8.9
259.08081	10.0
277.09161	4.8
295.10266	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	402.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96239	7.5
55.01859	8.1
55.05505	31.3
57.03433	19.4
57.29528	7.2
59.08237	7.8
65.03926	8.4
67.05504	84.4
69.03411	13.4
69.07063	50.4
73.02943	11.2
79.05497	50.0
81.03391	10.7
81.07058	100.0
82.53894	8.3
83.04974	17.7
83.08624	17.5
86.42415	8.8
91.05495	49.0
93.07068	73.6
95.04958	15.5
95.08602	36.6
97.02908	9.8
97.06516	14.0
105.07061	40.8
107.04964	13.0
107.08620	49.0
109.10129	17.0
111.08045	8.9
117.06983	13.1
119.08567	34.2
121.06506	10.6
121.10139	20.9
123.08030	10.9
125.09616	17.9
125.56446	9.6
131.08557	21.0
133.10130	31.6
135.11679	29.7
145.10124	20.0
147.11697	19.1
149.13263	17.3
153.09135	9.4
159.11676	34.3
173.13289	12.1
177.12764	10.5
197.13106	10.4
229.14461	11.2
255.15923	54.3
269.17453	72.7
275.20157	41.1
349.23596	29.2
349.52542	10.0
361.12939	10.8
384.11395	22.5
402.12579	31.7
403.24924	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	401.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01875	22.4
55.05509	10.2
57.07074	7.5
67.05503	17.9
69.07072	13.3
69.86060	9.0
70.06590	4.1
71.04993	6.5
71.08645	2.4
74.66079	1.8
79.05487	9.9
81.07056	22.5
83.04984	2.3
83.08620	6.3
85.06542	4.8
88.07647	4.1
91.05495	5.9
93.07045	17.6
95.04948	1.8
95.08611	29.1
97.06546	4.5
97.10169	3.5
105.07046	15.5
107.04996	1.6
107.08594	23.0
109.02878	2.9
109.06529	4.1
109.10160	35.5
111.08085	100.0
117.06977	3.0
119.08573	20.7
121.10155	15.3
123.08030	4.2
123.11714	8.0
131.08595	2.9
131.16518	1.5
133.10132	16.0
135.08055	1.8
135.11705	12.3
137.09637	6.5
137.13249	7.1
139.11194	1.7
143.08589	3.5
145.10132	10.1
147.11696	13.2
149.09671	4.6
149.13290	6.9
153.12700	1.9
157.10135	4.9
157.12212	2.0
159.11684	12.5
161.13200	11.7
163.11192	5.9
163.14865	5.3
165.12793	4.6
169.10170	2.0
171.11736	4.0
173.13237	4.6
175.14848	4.6
177.16367	3.0
179.14319	2.8
183.11674	1.6
185.13280	2.8
187.14902	2.7
189.16382	3.6
193.15982	2.1
197.13367	2.0
201.16393	3.7
203.17926	8.7
205.15973	3.6
213.16438	1.8
215.17938	2.5
217.19574	5.8
285.25775	4.4
301.25241	3.5
339.34586	4.8
345.28091	1.9
370.20792	1.7
383.33072	21.2
401.28702	3.1
401.34094	28.7
401.38470	10.0
410.49536	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.1
55.01867	3.1
55.05504	10.9
57.02491	2.4
57.07069	3.6
57.70254	2.0
58.62528	2.0
62.84956	2.0
67.05502	18.5
69.07061	18.3
69.28970	12.8
69.29406	11.8
71.04981	10.1
79.05485	26.4
81.07048	32.7
83.04984	3.2
83.08607	5.5
85.02936	2.2
85.06558	4.7
91.04961	4.7
91.05478	47.1
93.07040	59.9
95.04984	13.3
95.08608	28.6
97.06502	3.9
103.05476	4.4
105.07028	93.6
107.08590	49.2
109.06510	58.4
109.10171	19.9
111.08059	16.8
115.05434	5.7
116.06174	3.1
117.07021	28.9
119.08577	89.0
121.10140	23.7
123.08054	5.6
123.11739	2.9
128.06265	11.3
129.07022	24.1
130.07788	9.6
131.08568	56.8
133.10127	83.2
135.08061	17.6
135.11697	25.5
137.09610	9.0
141.06996	8.4
142.07765	26.8
143.08568	46.8
144.09381	11.7
145.06421	3.0
145.10112	100.0
147.08057	11.0
147.11702	19.7
149.09581	5.4
153.06992	5.2
155.08531	22.4
156.09363	17.3
157.10129	63.1
157.11479	3.4
158.10899	13.3
159.07996	3.0
159.11693	40.4
161.09576	4.6
161.13232	5.0
165.06979	5.4
167.08588	12.4
168.09364	6.7
169.10127	24.4
170.10851	8.5
171.11691	32.0
172.12463	5.9
173.13252	41.7
175.14807	21.1
179.08597	10.1
180.09424	5.5
181.10117	11.5
182.10873	6.9
183.11694	22.8
184.12444	6.3
185.13239	20.0
187.11157	2.4
187.14818	49.6
192.09363	5.1
193.10126	10.3
194.10941	7.1
195.11670	20.6
196.12419	5.5
197.13228	17.8
199.14780	22.5
201.12759	7.0
201.16431	4.6
206.10944	5.7
207.11684	14.3
208.12428	4.4
209.13239	27.8
210.14000	3.6
211.14841	10.2
213.12753	3.6
213.16429	2.8
221.13396	19.1
222.14018	2.7
222.98715	2.4
223.14774	12.3
224.15749	3.0
227.14227	2.9
231.11818	2.6
233.13197	5.5
234.33704	2.4
235.14879	10.3
237.16353	7.1
239.17873	4.9
246.13895	3.7
247.14906	4.6
249.16200	3.3
251.17911	7.8
252.18753	3.4
253.19443	3.3
261.16376	4.5
263.18118	5.3
265.19547	6.7
277.19550	3.1
278.20544	2.5
343.24216	6.5
361.04272	2.4
401.28418	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	401.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05515	7.3
56.51699	1.6
57.07069	3.7
67.05501	9.8
69.03400	1.6
69.07081	8.5
71.08628	2.5
71.59519	1.6
74.63170	1.6
75.17723	1.4
79.05495	6.1
81.03418	1.8
81.07058	19.6
83.04972	4.5
83.08620	6.7
85.06557	1.8
91.05465	3.0
93.07054	8.9
95.04946	2.6
95.08604	17.8
97.06542	4.6
97.10165	2.2
99.04475	1.6
104.53393	1.5
105.07017	4.2
106.58629	1.4
107.08551	7.7
107.87329	1.7
107.88120	1.4
108.64410	1.5
109.06558	2.4
109.10155	12.7
111.04446	1.4
119.04946	2.1
119.08567	5.5
121.06473	2.1
121.10158	6.8
123.08051	4.5
123.11705	5.3
127.03888	1.7
131.08565	2.2
133.10135	4.1
135.07982	2.5
135.11649	5.3
137.13274	3.6
139.14682	1.5
143.08652	1.6
145.10130	2.3
147.11678	2.9
149.09621	1.9
149.13278	2.4
151.14832	2.5
153.01842	18.5
157.10191	2.0
159.11696	2.4
161.13242	1.9
163.65982	1.5
165.09135	3.6
177.16336	2.9
187.07510	4.8
207.11774	1.5
233.22728	1.8
242.05879	1.8
243.21149	3.2
257.04465	14.1
258.05194	5.4
261.22220	3.1
269.24741	3.6
283.09515	1.7
285.10364	1.8
286.04773	6.7
287.05524	30.0
288.05902	2.5
303.19998	1.7
311.05502	8.5
323.02094	1.8
339.08600	8.0
383.11264	59.0
383.22055	2.7
384.11792	8.9
401.12305	100.0
401.23300	3.2
401.28815	3.4
402.12659	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	401.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01869	1.1
55.05264	1.2
55.05509	17.1
57.03447	1.7
57.07063	0.9
59.04986	3.6
61.02926	1.2
67.05505	2.0
69.03076	1.2
69.03426	17.8
69.07056	2.0
69.54844	5.3
70.06580	2.6
71.04978	2.1
72.08117	1.0
73.02906	0.9
73.06548	2.7
79.05488	3.4
81.03409	4.2
81.07057	4.2
83.04980	20.6
83.08608	1.0
84.08138	0.7
85.02898	5.7
85.06564	1.1
86.09692	2.5
91.05463	2.5
91.07569	0.9
93.07034	4.5
95.04962	2.2
95.08614	3.5
95.80185	0.6
96.08147	1.1
97.02877	2.8
97.06519	2.9
98.20831	1.0
98.97582	1.1
99.04441	1.9
100.11253	1.7
101.05376	1.1
101.06009	16.5
105.01908	0.9
105.07025	4.3
107.04990	1.6
107.08575	3.6
109.02876	1.2
109.06493	1.7
109.10157	3.3
111.04420	1.6
117.07041	0.8
119.08547	2.2
121.06557	0.8
121.10136	7.3
123.08080	1.5
124.07608	2.4
127.03915	1.8
129.05540	0.8
131.08591	1.3
133.10098	1.6
135.08058	1.9
135.11650	0.9
137.05930	1.0
137.09630	1.6
139.11176	100.0
140.07083	0.8
140.11479	1.3
143.09622	0.7
145.10150	1.0
146.06073	0.8
147.08078	0.8
149.05962	0.9
149.09598	1.2
151.11168	1.0
152.01691	1.4
153.10240	1.4
157.05029	0.8
159.08046	1.2
159.11664	0.8
161.09563	0.7
161.13242	0.8
163.11215	2.2
167.07019	4.4
181.04904	2.5
183.15724	1.7
203.10768	0.7
203.14354	1.3
205.08688	0.7
210.14926	1.1
211.15233	2.4
221.11794	1.3
221.15405	5.2
231.05075	1.0
239.03450	0.8
239.12756	0.7
239.16338	2.1
291.10291	0.8
315.08633	2.6
330.11008	3.5
331.11563	1.0
337.10809	0.9
338.21570	0.9
343.12143	0.7
351.12250	1.3
355.24139	1.0
357.13336	0.8
357.18130	0.7
369.13364	1.0
383.14847	3.2
401.15845	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	400.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.9
55.01876	7.1
55.05514	1.6
57.03441	14.8
58.02697	0.8
59.05000	1.8
61.02927	14.5
62.57190	0.8
64.56367	0.8
67.86742	0.9
69.03428	28.6
69.07057	0.9
70.06598	2.2
71.01347	3.8
71.04988	3.9
71.60531	1.6
72.08163	2.0
73.02919	75.8
74.03246	0.8
79.05488	1.7
81.03429	6.1
81.07065	1.7
83.04987	3.2
84.08107	1.3
85.02905	100.0
86.03258	1.2
86.09698	4.0
86.50463	0.9
87.04436	4.3
91.03954	5.5
91.05495	5.9
92.05822	1.4
93.07057	1.2
95.04945	1.2
96.04458	1.0
97.02892	53.2
97.06477	1.0
98.97615	1.1
99.03920	0.8
99.04427	5.0
101.02380	1.3
101.06038	0.8
103.03925	3.3
105.06992	2.1
107.04958	1.2
107.08605	1.1
109.02893	8.1
109.06474	1.2
109.10217	1.0
111.04461	2.0
115.03929	24.5
121.06485	1.4
121.10165	1.0
123.04442	1.0
123.08101	1.0
125.02248	0.8
127.03916	34.6
129.10190	1.0
133.04964	36.0
133.10144	1.3
137.09706	0.9
145.04959	58.4
150.07605	3.6
163.06026	32.6
163.11249	1.3
167.07091	2.2
177.05638	1.1
181.05002	1.7
185.11748	1.5
187.07562	1.0
189.12785	0.9
193.04982	1.4
197.11716	1.6
199.05943	1.6
216.58600	1.0
220.09692	1.5
221.91191	0.9
223.05922	5.8
238.14288	0.9
239.03329	1.5
241.07022	7.1
251.14992	5.8
259.08182	9.1
277.09198	2.1
293.08047	1.0
295.10291	6.0
299.56824	1.0
315.08582	1.4
330.10858	1.7
334.20078	0.9
383.15054	2.1
400.15076	2.5
401.18112	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	400.2178
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.4
54.56497	0.9
55.01875	5.9
57.03440	13.7
59.05004	1.7
59.48993	0.9
61.02931	15.3
69.03074	1.9
69.03431	27.6
69.53288	3.8
69.53712	4.0
70.06583	2.7
71.01352	2.9
71.04991	3.4
71.66476	0.8
72.08136	2.0
73.02919	74.6
81.03432	5.4
81.78418	0.9
83.05000	2.4
85.02907	100.0
86.09718	4.9
87.04482	5.8
91.03949	5.4
91.05457	5.8
92.05820	1.4
93.07018	1.5
95.04967	1.6
96.04471	1.1
97.02890	49.5
99.04457	4.5
101.02396	1.1
103.03934	2.3
107.04942	1.0
107.08601	1.5
109.02863	7.5
111.04440	1.2
115.03154	1.8
115.03935	25.3
115.04754	1.6
127.03918	34.1
129.05537	0.9
131.08588	1.4
133.04965	34.1
133.10156	1.5
145.04962	56.7
145.10133	1.1
150.07648	2.6
157.04929	1.4
161.02861	1.0
163.06009	28.5
167.07085	1.6
180.14079	1.1
193.04970	1.2
197.11722	1.5
199.06136	1.2
217.07031	1.3
219.01634	1.1
220.13673	1.1
223.06010	5.9
238.14346	1.3
241.06992	6.6
251.14919	6.7
259.08130	11.7
277.08939	2.1
295.10257	3.1
299.41714	1.1
330.10916	1.3
350.33807	1.0
400.15353	1.1
401.18295	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	399.2017
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
53.03919	1.9
55.01853	1.3
55.05490	2.2
57.03431	3.1
57.07047	1.1
59.04995	1.3
61.02932	4.8
67.05475	2.2
69.03426	13.3
69.07053	1.6
69.49394	1.1
69.49805	3.7
70.06583	3.2
71.04982	2.7
71.08601	0.7
72.08157	1.1
73.02885	2.1
76.12141	0.6
79.05490	2.6
81.03410	6.1
81.06639	0.7
81.07055	6.7
83.01318	0.8
83.04983	2.7
83.08587	0.7
84.08139	1.0
85.02905	27.6
85.06522	2.3
86.09303	0.5
86.09701	5.5
87.03996	0.5
87.04459	3.7
87.84000	0.6
91.03923	1.0
91.05479	4.7
93.07030	6.5
95.04973	3.2
95.08598	3.5
97.02278	0.9
97.02888	12.7
97.06506	2.2
98.23945	0.5
99.04452	3.9
103.05444	0.6
105.07029	7.2
107.08595	5.6
109.02867	4.1
109.06519	7.3
109.10142	2.2
111.04458	0.9
111.08062	1.6
115.05508	0.7
116.07122	1.3
117.07020	4.3
119.04945	0.7
119.08587	7.4
120.08053	1.0
121.06503	4.7
121.10142	6.6
123.08039	3.4
123.11699	1.2
125.05959	1.6
125.09621	0.8
127.03905	5.3
128.06198	1.0
129.05463	0.9
129.06984	2.0
129.10220	1.2
130.07755	0.8
131.08565	8.4
132.46385	0.5
133.06508	1.3
133.10120	5.5
135.08047	6.5
135.11697	3.2
137.05965	4.7
137.09567	0.9
139.07535	1.8
142.07770	0.8
143.08516	2.0
143.10715	0.6
143.11772	0.8
144.09323	5.6
145.04919	2.9
145.06433	0.8
145.10068	2.0
147.06543	0.7
147.08055	1.5
147.11638	1.9
149.05949	0.8
149.09608	2.3
149.13298	1.1
151.07529	7.8
151.11195	0.7
153.09062	0.8
153.31584	0.6
155.08411	0.8
157.10141	1.3
158.10878	1.1
159.08086	1.0
159.11693	24.3
159.13039	1.2
160.11969	1.1
161.09627	6.1
161.13255	0.6
163.07547	7.5
163.11119	1.1
164.08266	1.0
165.09128	1.2
171.11552	0.7
173.13297	3.4
175.11171	0.8
175.14839	0.9
177.09163	1.2
177.12747	9.3
181.08582	9.2
183.11691	0.8
187.10980	0.6
189.12802	0.9
191.14250	2.0
201.12738	2.4
219.13799	19.2
219.17163	0.8
220.14206	1.0
229.15515	1.3
237.14847	100.0
238.15179	5.1
399.16269	2.3
399.20123	53.4
400.20486	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	399.2013
Annotation	Ptaquiloside
Peak:m/z	Relative Intensity
51.16857	0.5
53.03926	1.8
55.01847	1.4
55.05496	1.6
57.03424	2.5
57.07037	1.5
59.04980	1.0
61.02931	2.4
64.10691	0.4
65.03906	0.5
67.05478	2.1
69.03426	13.7
69.07043	1.5
69.79632	3.4
70.06583	3.3
71.04960	1.6
71.08603	0.5
72.08143	1.2
73.02927	2.6
79.05485	2.9
81.03423	6.1
81.07059	6.1
83.01316	0.6
83.04967	2.4
83.08624	0.7
84.08118	0.7
85.02903	26.5
85.06538	3.4
86.09219	0.6
86.09701	6.4
87.04478	2.8
87.04883	0.6
91.03943	1.2
91.05477	4.0
93.07046	7.1
95.04963	3.2
95.08598	2.4
97.02303	0.6
97.02889	9.2
97.06511	1.9
99.04448	3.2
99.10085	0.5
100.11217	0.8
101.06007	0.6
105.07033	6.8
107.08595	4.4
109.02892	2.7
109.06517	5.8
109.10128	1.6
111.08035	1.6
115.05477	0.6
116.07053	1.6
117.07015	3.7
119.07788	0.7
119.08566	7.5
120.08039	1.0
121.06497	3.9
121.10152	4.3
123.08086	3.0
125.09598	0.6
127.03931	7.2
128.06207	1.2
129.05460	1.3
129.06990	2.9
129.10197	0.6
131.08577	7.6
133.10127	7.2
135.08047	7.6
135.11685	3.0
137.05997	4.3
137.09613	0.7
139.07507	1.7
142.07730	1.0
143.08524	1.8
143.11717	1.0
144.09337	4.8
145.04924	2.1
145.06485	1.0
145.10115	2.1
147.08025	1.1
147.11649	1.7
149.09622	1.5
149.13197	1.3
151.07564	5.1
153.09009	0.6
156.40071	0.5
157.10149	2.5
158.10812	0.6
159.08047	0.8
159.11693	23.0
160.11989	0.8
161.09619	5.3
163.07536	8.5
163.11195	0.6
171.11440	0.7
173.13248	3.3
175.11194	1.0
175.14819	1.1
177.12766	8.2
179.10655	0.9
181.08591	10.3
183.11775	0.6
186.10323	0.5
189.12775	0.5
191.14360	2.4
201.12738	2.3
219.13786	18.4
219.17145	0.8
220.14185	0.7
229.15504	1.0
237.14844	100.0
238.15164	3.6
284.19531	1.0
399.20135	56.1
400.20544	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	399.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01860	1.2
55.05507	1.4
56.05022	0.8
56.96560	1.6
57.03443	6.7
57.07072	1.4
59.05028	0.7
61.02932	4.0
62.36396	0.6
66.08144	0.8
67.05502	1.5
69.03434	11.6
69.07061	2.2
70.06589	6.2
71.01349	0.9
71.04980	2.4
71.08624	1.9
72.08146	3.3
73.02917	3.7
74.03267	0.8
75.04475	1.6
76.01442	0.7
78.85625	0.7
79.05488	1.7
81.03416	6.0
81.07050	2.6
83.05006	1.2
84.04523	1.7
84.08131	2.0
85.02908	31.7
85.06506	0.8
85.10165	0.8
86.03234	1.4
86.09706	3.8
87.04472	2.2
91.03934	1.4
91.05482	1.5
93.07040	2.3
95.04990	1.3
95.08625	1.7
97.02898	16.0
97.06570	1.0
98.97598	3.0
99.04451	3.4
103.03957	2.0
103.05473	37.5
105.07056	2.7
107.04936	0.9
107.08620	1.8
109.02882	5.0
109.06560	0.8
111.04471	1.2
114.09225	0.7
115.03935	1.7
116.07091	1.4
116.98628	2.2
117.05560	1.5
117.07044	1.1
119.08590	1.8
120.08123	1.7
121.10138	0.9
127.03933	10.0
129.05472	2.7
130.04175	1.1
131.04935	100.0
132.04398	1.6
132.05266	1.8
133.04857	2.2
133.06503	1.3
133.10144	1.7
134.06029	1.3
134.99751	1.2
135.11719	0.7
137.06004	1.0
145.02866	1.3
145.04956	5.3
145.06534	1.3
147.06578	1.4
147.11511	0.8
147.30937	0.7
148.05212	11.4
152.07033	1.1
153.12706	0.7
159.07927	0.9
161.05995	4.6
162.06734	1.2
163.07555	51.7
164.07930	1.1
173.09518	0.8
173.13249	0.9
175.07535	1.7
176.10742	0.8
177.00719	1.5
177.05476	3.7
195.07776	1.1
195.58035	1.0
201.07510	0.9
201.09143	2.1
204.10246	1.2
219.13924	0.8
220.06064	1.9
222.11264	1.4
237.02852	1.0
237.11218	3.1
238.10806	2.2
253.07657	0.9
308.65875	0.8
313.12317	0.9
313.62607	1.2
381.10324	0.8
399.11426	1.1
399.16055	9.3
399.56259	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	399.0689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.3
56.96564	7.0
57.03439	4.6
61.02933	6.2
61.91293	1.0
66.49229	0.9
66.49604	1.0
69.03418	9.7
70.06580	2.5
71.04727	1.7
71.05039	1.9
73.02913	11.6
81.03413	2.0
83.04961	1.4
84.96034	1.2
85.02914	15.6
87.04485	1.9
91.03957	3.2
97.02890	16.0
98.97583	25.3
99.04443	1.6
101.02481	1.4
105.02066	2.3
109.02909	1.5
110.97591	5.0
111.02076	2.2
112.99161	1.3
114.89355	4.0
116.98636	15.6
118.02812	3.0
119.01868	5.6
121.01691	1.4
125.01743	1.4
127.03904	6.0
128.02351	2.0
128.98589	7.2
131.00189	6.7
134.99644	5.8
136.06218	5.0
143.01930	1.5
145.04958	3.8
146.02309	2.3
146.99664	6.9
147.03104	7.0
149.01239	22.7
156.03619	32.8
156.04836	2.1
156.53799	2.5
158.99648	14.9
161.01353	1.4
161.02948	1.4
165.00719	2.2
167.02234	6.0
167.54475	3.4
168.03670	2.0
170.03484	1.4
170.99664	5.6
173.02951	2.1
177.00714	20.5
177.02203	1.9
177.04166	1.2
182.03369	3.9
189.00716	13.8
191.02289	4.5
191.03928	5.3
201.00684	2.3
203.02281	2.6
205.03760	1.3
207.01837	4.0
219.01753	16.8
220.04303	1.4
222.04024	1.9
228.05725	100.0
228.55870	10.9
231.01686	2.0
233.03279	1.3
237.02826	3.6
237.06255	34.0
237.56393	3.0
248.57114	8.2
249.02829	7.2
249.06987	1.5
250.09358	4.3
255.03688	2.0
261.02817	2.7
272.06723	3.0
279.03848	17.0
293.05426	4.4
293.58871	1.3
294.06024	4.5
309.05087	1.8
310.07324	1.1
311.06433	5.1
318.08923	10.6
339.05591	2.8
339.09744	7.5
357.06604	4.8
399.07047	6.3
399.11523	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	398.9761
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98656	0.3
56.96562	10.2
58.17416	0.2
58.28777	0.2
70.85023	0.6
71.95268	1.6
81.07038	0.5
97.02878	0.5
98.97577	53.1
101.47191	0.2
116.98616	61.5
119.01887	0.3
130.93292	0.8
134.99652	50.0
140.00175	1.9
148.44173	0.3
148.94345	0.6
153.00699	9.4
154.92203	0.3
154.93387	0.6
158.01239	3.2
165.24803	0.2
172.94295	1.7
174.97697	0.5
176.02249	0.5
177.00972	0.4
179.00818	0.3
190.95387	5.1
192.98715	0.8
197.95198	0.5
208.96419	2.9
214.95323	1.7
216.98706	0.6
219.01979	0.7
232.96448	8.8
233.96812	0.6
234.99788	1.6
235.99892	0.3
240.98628	0.3
241.94014	0.4
248.94356	0.3
250.97528	6.7
251.97826	0.4
255.95624	0.4
255.98195	0.4
256.96426	12.6
258.99753	3.0
259.99942	0.4
260.99942	0.4
261.03046	0.9
262.03122	0.3
263.02328	0.5
273.98953	0.4
274.97501	100.0
275.97919	1.7
276.97858	0.6
277.00793	6.3
278.01120	0.7
279.00769	0.4
282.99991	1.5
284.00015	0.4
287.70938	0.2
290.95529	0.5
292.98544	84.6
293.98904	0.9
294.98709	0.3
297.99124	8.0
298.97641	3.1
299.97958	0.3
300.02298	0.4
300.97894	0.5
301.01010	3.4
302.00998	0.6
310.99622	1.3
316.00174	4.9
316.98776	8.2
317.99008	1.7
318.98608	0.8
319.02075	0.3
327.89600	0.2
332.96542	0.6
333.96390	0.3
334.99820	0.4
340.00140	0.5
356.98557	0.8
374.99323	4.1
380.96652	0.7
398.97830	3.5
416.98911	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	398.2024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	3.6
55.01881	7.8
56.96570	2.6
57.03437	17.8
57.48783	1.5
61.02929	19.2
65.50251	1.6
67.05509	4.2
69.03077	2.4
69.03433	35.8
69.07075	43.1
69.67178	5.2
69.67606	7.5
70.06255	1.6
70.06581	8.5
71.01357	4.0
71.04996	4.2
72.08165	4.3
72.71527	1.7
73.02923	84.4
74.06095	1.9
79.05517	3.7
81.03417	9.5
81.07050	7.6
84.04507	2.5
84.08171	4.0
85.02911	100.0
85.06519	1.6
86.09711	6.7
87.04475	4.8
91.03964	3.7
91.05489	3.6
93.07059	6.8
95.04980	2.0
95.08615	5.2
96.08162	1.5
97.02901	60.9
98.97591	5.9
99.04462	5.7
101.02349	1.7
103.03951	3.0
105.07066	3.3
107.05013	2.5
107.08595	3.6
109.02878	10.1
109.06568	2.6
109.10149	1.8
111.04457	1.8
111.08076	4.6
115.03938	31.2
116.07079	2.9
116.98637	3.8
119.08591	3.2
120.08165	3.4
121.10149	3.1
123.08112	2.2
123.11703	1.7
124.07600	4.6
127.03920	34.9
127.04807	2.8
129.10153	1.6
131.04956	2.7
132.04451	5.0
133.04971	30.1
134.99638	1.9
135.04482	1.9
135.08080	1.9
135.11629	1.7
136.07655	1.7
137.05989	3.0
137.09648	3.8
145.04973	53.0
147.04364	2.2
147.08000	2.1
150.07646	2.7
153.09103	3.0
158.99684	3.0
163.06039	21.9
163.07417	3.1
165.09119	3.7
177.00734	4.6
183.10220	4.2
193.04970	2.3
195.07822	1.7
199.06061	2.3
201.11232	5.8
204.08702	3.1
215.59219	2.0
223.05969	10.1
229.07529	2.2
236.09357	1.8
237.02806	2.8
241.07146	6.7
247.08597	2.2
259.08136	13.1
277.09427	3.5
278.10880	2.2
295.10431	5.1
374.48764	1.7
391.12708	4.3
397.68115	1.8
398.17798	3.5
399.16379	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92892	1.8
53.03922	2.0
55.01863	3.2
55.05503	3.8
56.96572	1.7
57.03436	10.4
59.04980	2.8
59.21497	1.7
61.02922	4.7
61.88708	1.7
62.15666	1.7
67.05498	2.3
69.03416	7.3
70.06595	14.7
71.04993	25.1
71.50983	3.3
72.08142	1.9
72.98944	1.6
73.02920	2.1
73.68488	1.8
75.04486	9.0
77.76961	2.3
79.05470	6.0
81.03430	2.7
81.07047	7.3
83.04972	7.5
85.02905	92.0
85.06528	3.7
86.09704	3.4
87.04457	2.9
91.03958	2.2
91.05484	9.4
93.07038	3.4
94.04200	3.0
94.07366	2.0
95.04922	2.0
95.08582	4.8
97.02910	9.0
97.06513	2.2
103.05443	2.4
105.07014	4.8
107.04964	3.4
107.08591	5.4
109.02866	4.1
109.06460	2.2
109.10128	3.3
111.04445	4.0
115.05399	2.1
116.07095	16.2
119.04929	6.3
119.08593	5.5
121.06533	3.2
121.10160	2.7
122.03667	5.3
123.11671	2.1
127.03896	11.0
128.06250	2.5
129.05484	25.5
129.07007	6.7
131.04926	2.3
131.08598	4.3
133.10162	3.2
137.05978	71.7
137.09654	2.1
141.07007	3.4
143.08592	2.0
145.04956	12.1
145.06525	1.9
147.06502	16.3
147.07651	2.0
147.07840	1.6
149.06000	4.8
151.07576	11.0
153.06950	1.9
155.08536	3.2
157.06552	2.6
159.08072	6.5
159.11719	2.2
161.05940	9.6
161.09578	4.5
163.06078	4.3
163.07472	3.3
165.07088	2.8
167.08589	3.4
169.06422	2.3
169.10197	1.9
171.08043	4.5
172.08829	2.9
173.09560	3.4
175.07576	3.5
175.11142	2.1
182.07307	2.0
183.08052	3.7
185.06053	1.8
185.09663	7.3
187.07555	5.7
189.09186	4.3
191.07022	4.8
191.08551	3.9
195.08070	2.2
197.09686	7.8
198.06764	11.3
199.07561	7.4
199.11295	3.1
200.08421	2.0
200.13788	1.8
201.09161	4.9
207.08217	1.9
210.06747	2.1
211.07561	4.0
212.08212	3.4
213.09106	14.1
214.69458	1.7
215.10696	5.2
217.08543	2.8
217.12120	2.5
217.15857	2.2
219.08041	5.2
225.09169	10.7
229.10286	2.4
235.09389	2.6
235.13283	3.5
237.09154	2.3
239.39169	1.8
243.10182	17.6
245.09438	3.6
248.08318	2.6
254.11736	13.1
255.10191	6.6
257.09613	3.2
258.10355	1.9
261.09036	2.9
263.10995	2.8
264.07919	1.8
265.08554	3.4
271.07596	3.9
273.11288	48.8
275.06952	1.9
275.10660	3.2
277.08649	3.7
278.09402	2.2
289.08481	3.4
289.12292	4.3
290.09314	2.4
291.10092	4.3
293.08264	1.9
293.11835	3.5
301.08575	2.6
301.12164	2.4
303.10291	3.7
305.11627	4.4
307.09515	8.6
308.10242	3.5
317.11703	3.5
320.10382	2.6
321.11267	6.8
333.11307	3.4
334.12067	3.0
335.12793	4.6
336.13791	2.6
339.12466	3.2
349.14395	5.2
351.12341	10.3
353.13882	6.9
354.14618	16.6
367.15674	3.5
379.15356	13.9
397.16489	100.0
398.16855	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	397.1644
Annotation	Predurallone
Peak:m/z	Relative Intensity
55.05502	2.2
67.05481	3.6
69.03414	1.6
69.07064	2.0
70.06593	8.4
71.04973	1.4
71.06937	0.9
71.60762	1.7
72.08149	1.8
78.87882	0.9
79.05473	2.3
81.03446	1.3
81.07043	4.0
82.08004	0.9
84.08140	3.7
85.02892	3.2
86.09708	1.3
91.05494	7.6
93.07037	2.7
94.04169	2.0
95.04979	3.6
95.08604	1.6
97.02886	2.9
97.06535	2.0
98.97580	1.3
101.67279	0.8
103.05469	2.4
105.07021	3.7
105.07683	1.1
107.04955	1.9
107.08606	1.8
109.06496	2.0
109.10200	1.2
111.66278	0.9
115.05457	1.3
117.07049	1.0
119.04926	5.5
119.08569	2.0
121.06508	2.4
121.10151	2.0
122.03651	6.0
124.05155	1.0
128.06238	3.2
129.06987	5.5
129.10252	1.7
131.04939	2.2
131.08563	4.4
133.06502	1.8
133.10136	1.8
134.99663	0.9
135.08083	1.1
137.05978	73.4
138.06360	1.0
141.06985	3.4
142.07790	1.6
143.08556	2.6
144.05745	1.9
145.06487	1.9
145.10086	1.3
147.04420	2.2
147.11774	1.3
149.05963	5.1
151.03738	0.9
151.07559	8.2
151.08690	1.3
153.07043	1.2
154.07758	1.6
155.08537	4.9
157.06477	1.5
157.10152	1.8
158.07262	3.1
159.08020	6.2
159.09203	1.1
161.06000	10.6
161.09598	2.7
165.07045	3.0
167.08578	2.7
169.06468	2.5
170.07256	1.4
171.08067	2.9
172.05290	1.5
172.08850	2.9
173.09615	1.7
175.07510	2.5
175.11188	1.6
177.00771	2.2
181.06389	1.9
182.07251	4.8
183.08011	2.3
184.05208	1.4
184.08824	3.2
185.05995	2.0
185.09584	6.6
186.06645	1.1
187.07582	5.9
187.11191	2.3
189.09102	3.8
189.12703	1.4
191.07014	4.7
194.07260	2.8
195.08102	2.9
197.06081	1.7
197.09656	9.2
198.06767	14.9
199.07547	7.1
199.11142	1.2
200.08319	1.9
201.09109	3.7
202.07813	1.3
203.02023	1.2
205.03543	5.3
205.08609	2.2
210.06778	2.8
211.07568	4.3
212.08354	3.3
213.09103	18.7
215.08786	1.9
215.10710	6.4
217.08444	1.9
217.15945	3.8
219.08160	1.5
224.08383	1.4
225.09106	9.0
227.10623	1.1
228.07675	1.7
229.08380	1.6
229.10329	1.2
231.08023	1.6
235.13290	1.3
235.16998	1.0
237.09079	1.2
242.07166	1.5
242.09441	1.7
243.07898	1.4
243.10149	16.7
245.09653	3.1
245.11925	2.0
247.07504	1.3
248.08502	1.2
249.09219	2.4
255.10263	5.7
257.09567	3.1
260.08112	1.5
261.09140	3.9
262.09860	2.1
263.10681	1.6
264.07861	2.5
265.08603	2.8
271.07639	2.2
273.11255	52.1
274.11880	1.2
275.10751	3.6
276.07755	3.2
276.11301	1.5
277.08591	4.5
277.12350	2.2
278.09259	1.9
279.06711	1.2
285.09201	1.8
286.09863	1.8
287.07126	1.4
287.10400	1.5
288.07834	1.8
289.08646	4.1
289.12061	2.4
290.09399	2.6
291.10217	5.8
292.07224	2.7
292.11041	1.2
293.08078	3.2
293.11795	3.7
301.08606	2.7
301.12073	1.2
302.09579	2.3
303.10135	4.7
304.11008	1.7
305.08078	2.4
305.11673	2.9
306.09009	1.8
306.12265	1.3
307.09732	7.5
308.10431	5.6
309.11234	2.2
317.11624	4.6
319.09741	2.9
319.13403	1.3
320.10452	1.8
321.11249	5.8
323.12790	1.9
325.10727	2.8
333.11151	3.6
334.11990	2.2
335.12808	4.8
336.13550	3.3
337.14301	3.3
339.12302	2.9
346.11816	1.6
347.12759	1.2
349.14444	5.0
351.12259	8.8
353.13858	3.3
354.14615	18.4
361.14560	2.4
365.13821	1.6
366.14346	1.5
367.15442	4.1
379.15390	10.9
397.16479	100.0
398.16730	5.4
413.68512	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1314
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	0.4
69.03423	0.6
69.71872	1.9
69.72279	0.9
70.06585	1.0
74.06071	0.5
75.05583	0.9
84.08144	0.8
85.02892	1.7
86.09699	0.6
93.07028	0.4
95.08577	0.6
97.02881	1.0
98.97570	0.8
103.16714	0.4
109.02928	0.4
116.98556	0.7
122.06049	0.6
133.10089	0.5
140.07098	0.8
154.05025	0.8
161.48402	0.5
185.04214	2.9
187.11134	0.4
208.09618	0.7
215.14264	0.4
217.04756	1.1
219.07927	0.4
232.07053	10.0
233.07817	6.2
238.07098	0.5
244.65501	0.4
293.01376	0.5
331.09381	0.7
357.15271	0.5
364.11310	1.4
395.13129	100.0
396.13519	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	395.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30032	1.6
55.01882	2.3
56.51535	1.9
56.96289	3.6
56.96562	44.8
57.03431	2.0
61.02915	2.2
69.03078	1.7
69.03425	6.5
69.76738	5.9
69.77164	5.1
70.98116	1.6
71.04999	3.0
73.02922	2.6
73.18850	2.0
74.97650	2.0
81.03431	2.0
82.76985	1.5
84.08150	2.4
84.96026	5.3
85.02906	11.3
86.03224	1.7
86.09708	1.8
87.04456	2.0
88.99169	4.3
89.03896	2.7
97.02874	5.0
98.97581	41.6
98.98204	3.4
99.04467	2.0
100.99126	4.5
101.02339	2.5
102.97047	2.0
105.75724	1.6
107.00165	2.9
110.97580	6.9
113.06018	1.8
116.98616	43.7
116.99447	2.5
117.03357	3.1
119.00180	3.1
120.08118	2.6
127.03918	3.9
128.98610	16.7
131.00177	3.4
134.99644	21.3
135.04433	7.1
143.00192	4.7
145.01697	7.2
145.02840	4.1
146.99644	31.1
147.03285	2.0
149.01219	3.3
151.02733	3.6
153.00635	3.5
156.98184	5.1
157.01459	2.2
158.01234	2.9
158.99667	9.7
161.01207	11.2
161.02765	1.9
162.99232	2.4
163.02736	13.6
163.03917	26.8
165.00706	22.6
170.99644	6.3
173.03114	2.7
173.04765	2.2
174.99135	43.6
175.02708	4.7
177.00746	16.6
179.02283	4.9
183.01822	7.8
187.02740	2.8
188.97104	3.0
189.00693	12.1
189.04176	4.3
190.98634	3.1
191.02283	3.6
191.05914	3.3
193.00200	100.0
193.03874	5.0
195.01865	2.3
197.04927	2.5
198.00775	3.0
201.00682	2.1
203.02240	2.2
205.00233	7.6
205.03842	4.9
207.01802	25.3
211.01250	10.0
215.06116	2.0
216.01796	3.4
217.00177	5.9
218.99838	3.3
219.01782	19.8
220.99721	3.1
223.01213	6.9
225.02771	4.3
230.03261	2.1
232.99561	2.3
233.03291	11.9
233.10115	4.0
235.01213	4.3
237.00639	14.5
237.02840	40.8
247.01204	3.9
247.04878	2.8
248.95911	2.0
251.04337	10.2
255.01717	8.6
255.04047	3.1
260.99222	3.6
265.02298	2.5
273.02747	4.9
275.00815	8.3
277.05936	6.9
279.04086	2.9
288.98685	7.9
291.03845	4.6
293.01764	3.0
293.05139	2.5
295.07047	31.8
295.10410	4.7
303.00211	31.9
305.01932	10.9
305.04883	1.9
307.03342	5.0
309.04916	19.5
309.08517	6.6
318.08618	2.2
319.01224	4.8
321.01379	16.5
332.06674	2.1
335.10046	10.9
337.02264	3.1
344.03098	2.8
351.11319	4.1
353.11304	8.1
377.07666	8.6
395.07849	12.7
395.13104	13.4
395.65738	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	395.0502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21472	0.8
55.05516	1.3
56.96562	39.1
64.88017	0.9
69.03429	1.8
69.94456	1.6
69.94865	3.0
70.06642	1.2
70.98117	3.4
71.04984	0.8
73.02909	0.9
74.97620	2.2
84.96033	3.4
85.02903	3.9
86.09737	0.9
86.18357	0.8
88.99175	4.3
92.25185	0.8
97.02884	2.8
98.97583	34.9
99.04440	0.9
100.99159	5.1
101.05039	0.8
101.74283	0.8
103.02479	1.0
107.00161	1.2
107.17617	0.8
110.97568	7.3
116.98618	30.7
119.00164	3.3
124.95467	1.1
127.00703	1.2
127.03957	1.4
128.98602	16.0
131.00204	1.6
131.01939	2.2
133.01743	2.5
134.99660	18.4
136.06110	1.1
140.00227	1.1
142.96519	2.0
143.00177	5.0
145.01726	6.0
145.03481	1.9
146.99655	19.4
149.01251	1.2
149.02980	1.2
151.02769	1.5
152.98599	1.9
153.00673	2.9
156.98019	6.5
158.01288	1.9
158.99673	5.6
159.05058	0.9
160.97560	1.7
161.01207	11.1
163.02792	11.7
165.00723	18.0
170.01338	1.3
170.99608	5.5
171.05083	1.0
172.97643	1.3
173.01358	1.1
174.99146	50.5
175.02596	1.5
177.00717	8.5
177.04210	1.0
179.02249	2.4
181.03810	1.9
183.01764	8.2
186.99057	1.1
187.02808	2.5
187.04488	1.1
188.97069	3.7
189.00728	14.9
189.02390	1.6
189.06038	1.3
190.98659	2.3
191.02287	2.5
193.00209	100.0
194.00616	1.7
195.01787	1.3
198.00800	2.6
198.12234	0.8
199.00977	2.2
201.00803	4.1
203.02289	1.0
205.00197	4.6
205.03835	2.4
206.98193	2.6
207.01765	34.2
209.03409	1.3
211.01276	8.0
213.00731	0.8
214.78773	1.0
216.01849	3.8
217.00212	5.6
217.02029	2.0
219.01761	12.5
220.99712	1.4
221.05127	1.4
223.01306	3.6
225.02769	5.0
230.03371	3.3
231.01656	1.9
231.03702	1.5
232.99719	2.2
233.03302	16.6
233.06969	1.1
235.01266	4.4
237.02803	34.2
245.01463	2.7
245.03589	1.3
247.01247	7.3
247.04872	2.7
249.02835	1.1
251.04407	15.7
254.03107	1.0
255.03862	2.3
260.04565	1.2
260.99252	3.1
261.02539	2.0
263.00723	4.5
263.04257	1.2
265.02301	2.5
270.97635	1.5
273.02948	1.2
274.05975	1.6
275.00687	14.0
277.06061	2.6
279.03809	4.4
279.09183	1.4
281.01849	2.5
288.98639	9.2
291.03909	7.3
293.01828	5.5
295.06985	14.3
303.00165	37.1
303.05740	3.3
304.00555	1.1
305.01926	1.6
307.00211	1.1
307.03305	5.6
309.04926	27.3
309.08438	1.9
312.00284	1.1
321.01245	21.5
322.01691	1.1
325.04248	1.1
327.06119	1.8
332.06592	2.5
333.01239	2.6
335.06500	2.6
335.10193	3.5
344.02771	2.8
351.11353	2.7
353.07416	3.2
353.11240	2.3
363.02435	3.2
377.07565	4.3
395.08609	7.8
395.12723	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	394.2071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.4
55.01860	3.2
55.05513	5.2
56.96558	5.3
57.03439	3.5
57.07066	3.2
66.94247	2.0
66.97871	2.5
67.05501	9.5
69.03436	5.2
69.07062	8.6
70.06599	5.3
71.04986	5.2
71.08619	3.5
71.11933	5.9
79.05489	6.8
81.03408	3.2
81.07053	33.3
83.04990	2.7
83.08626	2.1
84.08132	2.8
85.02908	9.6
86.08167	2.3
86.09695	3.0
91.03978	2.5
91.05479	7.0
93.07053	10.5
95.04946	5.9
95.08608	8.1
97.02888	5.1
97.06535	6.3
98.97554	2.4
99.04449	5.4
99.08092	4.7
105.07043	8.8
107.08595	9.9
109.06518	12.0
109.10159	8.4
110.82490	2.2
111.43082	2.3
115.02426	2.1
119.08572	3.1
121.10138	2.7
122.06120	2.3
123.08045	4.5
123.11701	47.1
124.07627	3.3
125.06028	4.6
127.03897	6.9
133.10129	8.7
137.05957	2.7
141.05510	3.4
151.11179	29.7
153.12772	4.2
158.99681	3.7
161.09634	4.3
169.12248	9.9
179.10645	21.5
179.14369	2.7
197.09958	3.5
197.11734	47.0
215.12782	100.0
216.13004	2.3
269.12399	4.8
309.00903	2.3
309.12079	4.8
327.13165	2.8
351.14191	2.7
394.11783	5.1
394.19180	6.9
395.13123	50.2
395.20782	3.8
409.74881	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62370	8.2
55.05499	29.7
57.07059	9.8
67.05492	26.3
68.45027	8.0
68.99061	8.9
69.07063	30.3
70.55715	32.4
79.05482	22.2
81.07053	83.3
83.08642	20.3
89.39639	11.1
91.05457	55.7
93.07034	99.0
95.04968	66.5
95.08612	68.0
97.06550	13.4
97.10191	13.4
98.98455	27.1
105.07031	100.0
107.08589	60.8
109.06573	16.0
109.10172	38.0
117.07033	18.1
119.08576	93.5
121.06492	23.1
121.10147	46.0
123.11762	14.9
128.06250	11.3
129.07018	15.3
130.07721	10.9
131.08609	54.4
133.10138	57.6
135.07990	11.7
135.11676	18.5
137.13240	10.0
142.07764	20.1
143.08588	43.8
144.09363	11.9
145.10121	76.9
147.11671	29.6
149.13248	10.7
155.01016	34.1
155.08589	10.6
156.09331	12.4
157.10123	60.1
159.11729	53.3
161.09630	24.1
163.11150	12.4
169.10086	18.3
170.10898	11.1
171.11688	31.5
173.13225	31.8
173.14709	8.8
175.11179	11.8
175.14795	22.2
181.10162	16.1
182.10829	9.8
182.49281	9.3
183.11755	24.4
185.13281	16.8
187.11105	9.5
187.14886	20.4
195.12114	9.0
197.13345	20.6
207.11887	10.9
209.13240	20.6
225.16454	12.6
371.14328	10.1
393.35284	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	393.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	6.0
55.05511	22.0
57.03412	4.4
57.07080	15.5
59.05007	3.3
65.03934	3.2
67.05502	32.5
69.03419	3.9
69.07076	25.9
70.65395	5.8
71.08629	6.7
75.57603	2.6
75.81181	2.2
79.05495	39.4
81.03368	2.6
81.07059	71.5
83.04987	5.8
83.08623	13.4
85.10171	3.4
91.05480	49.7
93.07046	83.7
95.04972	62.8
95.08611	64.7
97.06538	13.2
97.10126	3.2
98.98478	16.3
103.05453	5.7
105.04556	2.6
105.07032	100.0
107.08597	54.8
109.06515	16.7
109.10157	32.1
115.05482	7.1
117.07016	20.8
119.08587	95.9
119.09459	3.3
121.06506	21.4
121.10147	46.5
123.08064	6.0
123.11723	10.5
128.06213	10.6
129.07051	16.2
130.07799	9.2
131.08575	46.2
133.06506	3.7
133.10136	61.8
135.08084	6.1
135.11679	22.2
135.12440	2.2
137.09654	5.4
137.13223	2.6
141.06963	9.6
142.07777	25.2
143.08565	40.5
144.09346	10.4
145.10126	74.3
146.10751	3.8
147.08055	3.5
147.11690	24.1
149.09680	4.1
149.13284	4.0
153.07002	3.6
154.07768	5.6
155.01083	29.1
155.08588	12.3
156.09346	10.6
157.10138	65.4
158.10953	6.2
159.08087	4.8
159.11703	46.2
161.09602	21.0
161.13271	8.1
163.11211	5.7
165.06894	3.0
166.07787	3.5
167.08545	7.4
168.09332	4.6
169.10170	21.6
170.10876	7.1
171.11696	24.7
172.12480	6.0
173.09604	6.0
173.13266	23.8
175.11201	10.0
175.14824	21.6
179.08519	5.7
180.09309	4.1
180.11386	2.5
181.10077	12.2
182.10931	4.6
183.11723	17.5
184.12450	3.7
185.09631	3.2
185.13266	18.2
186.14055	3.3
187.11208	9.2
187.14824	16.1
191.14371	2.9
193.10147	6.6
194.10898	4.3
195.11679	9.8
196.12459	3.6
197.13275	14.0
199.11292	5.3
199.14822	9.2
201.16406	10.5
203.14301	2.9
206.10942	2.9
207.11777	4.0
209.13260	20.6
211.14789	12.0
213.16418	6.2
220.12424	3.4
221.13295	4.3
223.14832	7.8
224.15462	3.2
225.16281	6.3
227.14276	3.0
235.14781	6.0
237.16380	4.3
239.14235	4.3
239.17972	3.9
239.23758	5.0
241.19632	3.5
251.18102	3.7
253.15964	5.9
263.17758	2.6
266.20099	2.8
281.19077	3.3
375.26862	5.6
393.28012	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56773	0.4
51.72596	0.4
53.03940	0.9
53.97160	0.6
55.01868	0.8
55.05515	4.4
56.05019	0.5
56.96563	0.8
57.03419	2.0
57.07067	1.6
59.04979	0.6
59.77032	0.4
64.95963	0.5
66.42712	0.4
67.05505	2.6
69.03432	4.9
69.07059	1.2
69.49452	2.0
69.49883	2.2
70.06586	2.5
71.04994	2.4
72.08154	60.1
79.05486	1.3
81.03413	4.4
81.07049	2.1
83.04976	1.2
84.04517	1.0
84.08134	1.3
85.02480	0.6
85.02910	5.4
85.06515	1.1
86.09708	2.9
87.00811	0.6
91.05473	3.0
93.07035	1.8
94.06532	0.4
95.04973	3.3
95.08607	1.6
97.02904	3.7
97.06516	1.2
98.20789	1.0
98.97601	0.6
99.04454	1.7
99.08072	0.6
103.05484	1.4
105.07014	1.4
107.08561	0.9
108.08138	0.4
109.02890	2.7
109.06549	0.7
109.10133	2.1
111.04411	1.2
116.07089	1.0
116.98609	1.1
119.08578	1.5
120.08102	100.0
121.06490	0.6
121.08422	2.0
121.10133	1.1
122.05997	0.5
123.08029	0.7
123.11697	0.7
125.09605	0.7
127.03899	5.0
127.07558	2.8
128.98613	0.8
129.05515	0.6
129.10243	0.5
129.56207	0.5
130.04996	0.5
133.10121	1.4
135.11728	0.9
135.37808	0.4
137.05968	0.8
137.09645	1.0
140.07062	0.8
146.99591	0.7
155.08456	0.5
157.05017	0.6
158.99776	0.5
159.11696	0.5
173.08075	1.8
175.10780	33.7
176.11131	0.7
177.00690	0.7
188.54984	0.5
190.59601	0.5
191.11790	34.9
197.11769	0.9
200.10826	0.6
201.11195	0.9
218.55054	0.5
219.11285	36.1
219.14882	2.5
220.11592	0.7
227.08107	0.8
231.04953	1.3
233.16495	1.0
237.02763	1.1
247.14432	1.5
251.56445	0.5
255.11327	1.5
271.11661	0.6
273.16000	1.4
279.13660	0.5
318.18015	4.7
320.59912	0.7
321.09766	0.6
322.17657	0.8
375.11905	1.7
393.12534	1.7
393.18610	0.7
395.06653	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.4
55.05497	0.4
55.93497	0.2
57.03427	0.3
57.07073	0.3
67.05482	0.8
68.05025	1.3
69.03429	0.3
69.07054	0.9
70.06577	0.7
70.52621	0.2
70.52957	0.8
79.05466	0.8
81.03381	0.3
81.07063	1.9
83.04982	0.3
83.08614	0.4
84.04461	0.3
84.08122	0.2
85.02891	0.5
85.06528	0.6
86.09691	0.8
88.03963	0.4
91.05478	0.5
93.07035	1.1
95.04958	0.7
95.08611	2.1
97.10141	0.4
99.08105	0.4
105.07048	0.5
107.08586	1.4
109.06515	0.4
109.10144	1.7
111.08041	0.5
116.07101	0.4
117.06998	0.4
117.21069	0.2
119.08555	0.5
120.04449	0.3
120.08099	0.6
121.02863	0.4
121.10134	2.5
123.11716	0.5
124.05068	0.4
125.09624	0.2
130.05003	0.7
133.10091	0.4
135.08167	0.2
135.11705	0.7
140.03409	1.0
143.08557	0.3
149.04579	0.9
149.09604	0.3
149.13182	0.3
153.12720	0.3
166.07230	0.9
169.07076	0.3
172.05991	0.8
175.54163	0.2
177.16388	3.7
179.10710	0.3
183.17397	0.3
185.08339	0.3
189.06517	0.5
195.17450	1.6
201.06487	1.4
202.07202	1.9
203.08055	1.3
204.08809	7.1
213.18457	0.4
214.07202	0.4
215.08018	1.7
216.08798	100.0
217.09430	3.6
218.10370	5.0
225.06442	9.1
226.07190	3.5
227.08086	1.5
228.08766	0.8
229.09518	1.2
230.06863	0.4
230.10367	9.2
231.10628	0.2
231.19576	1.2
232.08324	0.3
234.98943	0.5
240.08789	54.8
241.09467	2.4
242.10318	0.6
246.09850	7.6
255.09880	0.4
256.08215	0.3
258.09909	2.3
268.08301	5.1
270.09738	0.4
272.11435	4.1
283.09326	1.4
286.09277	0.5
300.10901	51.3
301.11221	1.1
308.06650	0.3
311.08963	0.8
314.28458	0.3
315.11972	1.0
317.13504	0.3
322.08221	0.4
333.13037	2.8
343.11533	2.4
352.03534	0.3
361.12531	5.5
365.10010	0.9
375.09454	0.2
375.14096	6.8
393.09525	3.8
393.15112	39.8
394.15482	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	393.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.5
55.65877	1.6
56.96555	2.6
64.60703	1.8
67.05514	7.9
69.03437	4.0
69.07062	4.6
69.98785	7.5
71.04964	2.1
79.05476	4.6
81.03407	2.7
81.07054	12.0
83.04972	2.2
83.08613	3.5
83.34241	1.5
85.02921	2.8
91.05480	6.3
93.07045	6.4
95.04987	3.5
95.08614	7.7
97.02924	2.5
97.06532	4.3
101.85497	1.3
105.07043	10.3
107.08590	5.9
109.02913	2.2
109.06505	4.0
109.10146	3.4
110.21436	1.6
111.08083	1.9
119.08599	6.2
119.83059	1.4
120.01881	1.9
121.10123	4.6
123.08080	1.6
123.11653	1.9
127.00054	4.6
127.03869	1.3
131.08597	2.6
133.10150	4.1
135.08035	2.4
135.11693	2.8
145.10126	4.4
147.11728	3.5
149.09605	1.7
149.13170	2.2
150.09126	3.5
151.07562	9.4
161.09555	2.1
162.08752	1.7
173.09689	1.9
189.09084	2.0
245.11508	16.1
271.09485	6.4
272.14755	1.9
287.12762	1.7
289.10449	6.1
309.11823	2.0
349.12521	5.0
375.22147	3.6
393.11539	100.0
393.18430	7.5
393.22852	3.8
394.11899	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	7.8
55.39864	1.3
57.03434	17.4
57.06825	1.7
57.07077	15.7
59.04983	5.3
65.03929	2.0
65.20690	1.2
67.05170	1.6
67.05503	21.7
68.05012	1.5
68.99773	1.7
69.03427	48.6
69.07063	1.9
70.06612	1.3
70.73135	4.1
71.01335	1.3
71.04985	15.4
72.08141	3.0
81.03413	46.7
81.07029	2.3
85.02902	36.0
85.06532	10.6
87.00824	12.6
93.06993	2.2
95.04963	28.2
97.02888	15.1
99.04454	19.9
99.08080	4.2
101.06001	5.7
103.03937	2.0
103.07561	6.0
105.01835	2.4
105.07072	1.3
109.02878	39.8
113.06008	8.2
120.08099	4.1
120.42707	1.3
121.10111	1.4
125.02344	2.1
127.03912	100.0
127.07545	30.9
131.07076	8.5
137.05960	1.4
139.07510	1.2
143.07036	2.4
145.04955	4.5
145.08597	7.6
173.08092	23.8
204.08760	2.6
211.09663	3.6
213.03899	4.4
216.08807	39.4
217.09480	1.3
218.10291	2.9
225.06445	3.3
229.10754	9.7
230.10358	4.0
231.05008	19.9
240.08791	20.6
246.09787	1.8
253.10689	4.4
258.09512	1.2
259.08362	1.3
271.11627	1.8
300.10892	19.8
315.10568	1.5
331.13733	1.4
333.12357	1.3
357.11685	5.8
361.12592	1.8
375.12888	7.4
393.15128	16.4
393.20859	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	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01879	1.7
55.05505	4.6
56.96558	5.1
57.07075	2.8
65.03891	2.1
66.48206	1.8
67.05498	9.6
69.03419	4.6
69.07064	10.8
69.21691	1.6
69.78255	10.1
71.04991	2.7
72.08155	2.0
79.05492	6.6
81.03425	2.6
81.07066	18.8
82.12251	1.6
82.53442	1.5
83.04984	4.9
83.08614	3.7
84.96032	1.5
85.02911	3.9
85.06524	6.3
86.09698	4.6
91.05480	5.3
93.07035	12.2
95.04977	5.4
95.08620	13.9
97.02896	2.0
97.06525	4.2
99.04459	3.2
105.07056	8.5
107.04943	2.3
107.08566	10.9
109.06520	3.4
109.10161	8.1
111.04482	1.7
111.08087	2.8
116.98609	2.8
117.07030	2.5
119.08576	6.5
120.08138	1.9
121.06534	2.4
121.10165	9.0
122.09643	2.5
123.08114	1.8
123.11703	5.4
124.07584	2.4
125.09641	2.0
127.03934	2.4
131.08565	4.2
133.10159	6.0
134.08138	3.8
135.08046	3.0
135.11668	4.4
136.10257	1.9
137.05956	4.8
137.13214	1.7
140.07063	3.2
143.08534	3.2
145.10117	5.3
147.05083	3.0
147.11703	4.1
149.09624	2.8
149.13242	1.9
150.02641	2.2
151.07492	2.5
151.11198	2.1
152.09200	6.2
155.08461	1.9
157.10181	2.3
159.08060	2.0
159.11737	2.9
161.09669	2.7
163.11223	2.1
167.06992	1.8
169.10034	2.1
171.09166	13.3
173.09500	1.8
173.13220	2.3
175.11201	1.8
177.16411	2.1
189.09003	1.8
199.14746	1.7
201.12633	1.9
216.12566	2.6
236.13472	1.9
242.09317	9.7
245.09364	1.8
245.11665	2.4
254.14468	2.4
261.10983	7.1
265.87769	1.6
267.11069	2.6
287.12738	2.1
289.10355	3.2
305.13739	3.2
307.11380	12.1
309.90222	2.0
314.11356	1.9
321.24396	2.2
335.10251	2.2
343.69229	1.8
349.12503	20.7
375.10318	3.1
393.11530	100.0
393.18488	26.3
393.23206	3.2
394.12045	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.7
55.01879	1.7
55.05505	4.6
56.96558	5.1
57.07075	2.8
65.03891	2.1
66.48206	1.8
67.05498	9.6
69.03419	4.6
69.07064	10.8
69.21691	1.6
69.78255	10.1
71.04991	2.7
72.08155	2.0
79.05492	6.6
81.03425	2.6
81.07066	18.8
82.12251	1.6
82.53442	1.5
83.04984	4.9
83.08614	3.7
84.96032	1.5
85.02911	3.9
85.06524	6.3
86.09698	4.6
91.05480	5.3
93.07035	12.2
95.04977	5.4
95.08620	13.9
97.02896	2.0
97.06525	4.2
99.04459	3.2
105.07056	8.5
107.04943	2.3
107.08566	10.9
109.06520	3.4
109.10161	8.1
111.04482	1.7
111.08087	2.8
116.98609	2.8
117.07030	2.5
119.08576	6.5
120.08138	1.9
121.06534	2.4
121.10165	9.0
122.09643	2.5
123.08114	1.8
123.11703	5.4
124.07584	2.4
125.09641	2.0
127.03934	2.4
131.08565	4.2
133.10159	6.0
134.08138	3.8
135.08046	3.0
135.11668	4.4
136.10257	1.9
137.05956	4.8
137.13214	1.7
140.07063	3.2
143.08534	3.2
145.10117	5.3
147.05083	3.0
147.11703	4.1
149.09624	2.8
149.13242	1.9
150.02641	2.2
151.07492	2.5
151.11198	2.1
152.09200	6.2
155.08461	1.9
157.10181	2.3
159.08060	2.0
159.11737	2.9
161.09669	2.7
163.11223	2.1
167.06992	1.8
169.10034	2.1
171.09166	13.3
173.09500	1.8
173.13220	2.3
175.11201	1.8
177.16411	2.1
189.09003	1.8
199.14746	1.7
201.12633	1.9
216.12566	2.6
236.13472	1.9
242.09317	9.7
245.09364	1.8
245.11665	2.4
254.14468	2.4
261.10983	7.1
265.87769	1.6
267.11069	2.6
287.12738	2.1
289.10355	3.2
305.13739	3.2
307.11380	12.1
309.90222	2.0
314.11356	1.9
321.24396	2.2
335.10251	2.2
343.69229	1.8
349.12503	20.7
375.10318	3.1
393.11530	100.0
393.18488	26.3
393.23206	3.2
394.12045	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	391.2632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14719	4.6
51.53362	3.5
51.64013	3.8
55.01876	4.1
55.05498	16.7
56.96547	5.7
57.05067	3.8
57.07059	15.4
67.01476	4.0
67.05500	14.1
68.53415	3.7
69.07045	8.3
70.87083	11.4
71.08620	14.4
79.05484	32.2
81.07050	42.6
85.02863	4.4
85.06546	5.0
91.05468	25.9
93.07038	39.6
95.04958	28.2
95.08613	21.4
97.06564	7.0
105.07029	51.4
107.08611	25.4
109.06495	11.1
109.10162	11.3
115.05402	5.0
117.06995	17.4
119.08596	48.6
121.06493	13.6
121.10148	14.6
123.08041	4.6
123.11710	3.8
129.06978	13.2
130.07794	5.3
131.08571	27.5
133.10115	20.5
135.08070	5.4
141.07008	6.4
142.07787	14.2
143.08572	30.1
145.10123	35.7
147.07977	4.7
147.11685	9.0
149.02345	86.4
153.06934	4.1
154.07761	5.6
155.08508	6.9
156.09349	11.6
157.10126	35.8
159.11708	24.9
161.09673	6.9
165.07008	8.5
167.03395	13.3
167.08478	5.0
168.09328	5.3
169.10103	23.8
170.10860	4.9
171.11681	19.3
173.13255	10.8
176.49379	4.2
179.08540	11.7
180.09319	4.9
181.10104	16.1
182.10841	4.6
183.11688	17.6
185.09598	5.3
185.13251	10.6
191.14299	5.6
193.10104	10.2
194.10902	7.7
195.11754	18.5
196.12361	4.3
197.13274	11.9
199.14870	6.0
205.10146	5.4
207.11552	13.5
208.12405	8.1
209.13268	14.1
211.11342	7.0
211.14854	5.4
219.11740	10.5
221.13226	15.7
222.14102	5.7
223.14803	8.9
227.14276	5.0
227.93719	4.8
233.13185	8.0
235.14833	7.5
237.16412	6.4
243.11549	4.1
247.14780	7.8
249.16344	9.9
261.16269	5.1
263.18018	6.1
269.19003	7.4
282.19748	6.3
285.10141	8.1
285.16370	4.7
286.10129	4.2
289.19434	5.8
307.20523	5.6
317.18744	5.1
329.32703	5.6
373.25345	14.5
391.15338	24.5
391.26291	100.0
391.36035	13.2
392.26074	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	391.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.1
55.01875	7.2
55.05508	8.7
56.96564	3.7
57.03441	5.4
57.07082	8.1
61.02931	5.2
67.05500	8.6
69.03436	23.1
69.07072	7.0
71.04649	3.3
71.05000	33.9
71.08633	8.1
71.12578	2.8
71.60796	5.2
72.37579	2.7
73.02910	6.7
73.06558	4.1
79.05499	7.7
81.03421	30.5
81.07053	16.4
83.04989	9.1
83.08627	8.0
85.02911	55.8
85.06553	11.7
85.08961	2.7
87.00838	16.0
91.03965	4.3
91.05489	10.5
93.07045	8.3
95.04984	21.4
95.08614	8.8
97.02897	21.2
97.06523	6.9
97.10175	12.2
99.04463	13.8
103.03922	4.8
105.01864	12.2
105.07029	9.3
107.08606	51.6
109.02879	20.6
109.10155	10.1
117.01901	4.8
119.08594	8.2
121.10163	5.2
123.04507	4.4
123.08086	4.0
123.11703	3.3
125.09635	85.3
126.10041	3.2
127.03928	42.6
129.01773	3.4
133.10138	3.7
137.05988	3.6
137.09590	9.2
143.10677	100.0
145.04993	16.9
145.10156	6.0
147.02785	3.5
149.02338	47.6
149.09607	3.9
159.02934	11.5
159.11736	4.4
161.06084	3.1
163.03908	3.6
163.11211	4.4
167.03322	6.2
167.10674	21.9
171.40866	3.2
181.21622	2.8
189.03903	3.8
197.13394	3.4
205.12228	3.3
209.11781	9.5
218.61292	2.9
218.63495	2.7
231.05070	5.7
233.11775	10.7
251.12747	3.2
337.12930	3.1
355.13873	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	391.139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
55.01872	8.2
55.05510	9.6
57.03437	10.1
57.07068	9.3
59.04988	5.1
61.02915	7.1
67.05498	15.3
69.03426	22.2
69.07055	15.3
70.06597	4.6
70.16851	3.1
70.17252	6.0
71.04990	10.1
71.08639	4.2
71.24445	1.9
73.02908	5.6
79.05494	10.1
79.69094	1.9
81.03425	10.3
81.07056	31.4
83.04978	11.4
83.08621	7.5
84.08157	2.7
85.02906	45.0
85.06531	6.2
86.09711	7.1
91.05479	27.5
93.07044	23.7
95.04984	9.5
95.08602	44.4
97.02909	20.3
97.06536	8.4
99.04427	3.9
99.08105	3.3
103.03947	5.9
103.05482	2.6
105.03351	3.0
105.07059	16.7
107.04956	67.1
107.08611	29.0
109.02882	5.5
109.06533	9.9
109.10151	37.5
111.08092	7.0
116.98608	3.3
117.06995	3.2
119.04939	23.0
119.08581	44.2
120.08119	8.4
121.02857	8.3
121.06518	6.9
121.10145	10.4
123.04409	7.2
123.08103	12.3
123.11703	25.1
124.07607	2.4
125.09632	9.5
127.03934	6.3
130.06525	13.4
131.04929	20.7
131.08557	4.1
133.02882	5.2
133.04916	3.2
133.06511	2.7
133.10132	16.1
135.04442	17.5
135.11690	32.8
136.07547	2.3
137.05968	5.3
137.09610	12.7
138.09142	2.7
139.11174	2.4
141.06952	3.7
145.04968	5.5
145.06516	5.7
145.10187	3.9
147.04431	10.9
147.11697	5.5
149.02336	47.0
149.06065	4.0
149.09560	2.8
149.13251	10.7
151.11166	6.0
151.14807	6.2
153.12796	3.5
155.10698	2.8
157.06464	6.1
157.07640	16.3
159.04440	9.4
161.05988	3.4
163.03897	6.6
165.06999	3.1
165.16463	3.2
167.03453	6.5
167.07155	2.6
167.08549	4.3
169.06444	2.9
169.10126	2.3
173.05952	2.5
175.14827	51.1
177.00735	2.6
177.05479	4.1
178.07755	2.8
179.08568	7.1
181.06534	3.6
182.07179	2.6
183.08099	6.7
185.07146	3.6
193.12418	2.9
193.15881	67.3
195.08075	8.5
197.05923	2.9
197.09697	5.1
197.11606	2.4
199.07477	3.7
207.08075	5.0
211.13521	12.1
211.16924	66.2
213.09303	3.4
214.09715	3.8
223.07556	6.0
225.09096	13.0
228.07780	3.7
229.08586	51.1
229.18077	4.7
235.07561	5.3
237.02856	2.9
239.06956	10.5
241.08582	100.0
242.09097	9.9
251.07076	3.5
253.08600	46.8
265.08566	11.7
267.10233	5.4
269.08099	4.2
271.09695	41.3
272.10016	4.3
277.08823	2.8
291.10135	5.6
295.09708	28.2
307.09888	4.2
315.13425	9.4
319.09705	6.8
337.10693	13.4
337.23752	2.7
355.11835	8.6
359.08722	3.6
359.12735	2.9
373.13345	7.0
373.18716	13.1
391.14240	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	390.195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	66.3
57.03432	1.9
58.82431	1.1
61.02914	2.8
67.05491	3.1
69.07052	1.9
71.00124	2.5
71.95259	5.6
72.96016	1.7
74.97606	2.3
79.05487	2.9
81.03405	2.0
81.07045	4.7
84.96040	1.2
85.02912	2.0
91.03941	1.6
91.05471	2.4
92.98606	1.2
93.07047	3.0
95.08574	1.2
97.02888	1.5
97.89837	1.2
97.96860	1.6
98.97561	2.1
105.07001	1.2
115.00668	1.4
119.08556	1.6
123.01182	1.2
127.03816	2.0
128.98602	4.2
131.08464	1.3
133.01752	1.5
134.99698	1.8
137.02762	2.2
138.18629	1.3
139.00635	1.9
141.02196	1.9
145.01762	1.5
146.99669	7.5
149.02299	1.3
153.02271	1.4
155.03819	4.8
157.01712	2.1
159.03302	2.3
159.11656	1.5
161.01274	1.2
165.00739	1.7
167.03749	3.0
169.01662	2.6
169.05368	1.8
171.03307	6.8
173.04869	3.0
175.02739	1.3
177.04337	1.7
180.25923	1.3
181.01746	1.3
181.05347	2.1
183.03307	2.3
185.04839	8.5
187.02780	2.4
187.06270	1.4
189.04346	9.0
191.05914	2.1
193.05507	1.6
193.12257	2.1
195.06892	2.0
197.04832	1.6
197.08556	1.3
199.06421	9.4
201.04375	2.4
203.05887	13.6
205.07542	1.5
209.04845	2.2
211.06438	4.3
211.13333	2.3
213.07941	9.6
217.07472	21.0
219.27068	1.2
221.06856	2.3
221.08620	1.4
222.08098	1.9
223.10097	1.9
225.07980	8.0
226.07463	2.0
227.09552	3.9
229.07515	4.1
231.07005	1.9
231.09023	13.4
237.04393	2.1
237.08018	5.5
239.09569	4.8
241.07390	1.7
241.11043	2.5
243.09084	8.2
245.10623	6.1
249.07956	6.5
251.09282	8.0
255.09030	29.8
257.10550	3.8
267.09036	44.2
269.10452	63.5
273.10062	23.7
278.10623	6.5
279.09036	1.5
280.09875	2.2
281.10666	1.6
283.08606	2.0
285.10092	68.4
286.10413	3.4
287.11646	27.7
290.10611	7.9
292.12003	15.8
296.11658	3.1
297.09967	2.2
303.11240	7.9
307.12289	1.5
308.11774	11.4
310.13147	4.4
331.15869	12.5
349.16849	45.2
350.17206	4.0
367.17920	100.0
368.18314	5.3
372.18610	5.9
385.18985	11.6
390.19434	25.6
390.23541	3.8
391.19260	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	390.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.8
56.96566	57.6
57.07067	4.9
67.05499	4.8
70.06577	9.0
70.63586	1.8
70.63943	7.1
71.08604	2.1
71.95263	3.1
79.05476	4.0
79.75188	2.2
81.03426	2.7
81.07044	6.5
83.04955	2.6
83.08633	2.5
84.96040	2.4
85.02882	5.4
86.02512	2.2
88.07642	10.6
91.03952	2.4
91.05458	5.0
93.07036	4.0
95.04971	2.9
95.08596	2.8
97.02882	2.7
97.96803	2.6
105.07005	2.7
109.10142	3.3
109.72582	1.9
113.98013	2.5
114.09148	5.8
119.08617	2.5
128.98566	3.6
132.10204	18.4
141.02225	2.9
146.99605	5.2
155.03934	2.6
159.03314	2.7
171.03276	6.4
176.12834	2.4
183.03304	2.8
185.04883	4.7
185.48384	2.4
189.04306	7.1
194.13864	3.7
199.06456	6.9
203.05899	13.0
205.07352	3.0
211.06416	3.5
211.13239	3.3
213.08034	12.1
217.07439	13.0
221.06723	2.9
225.08006	6.1
229.07487	3.6
231.06918	3.3
231.08984	22.8
236.09627	2.2
237.08002	4.3
239.09438	5.8
241.11066	3.1
243.09009	8.5
243.14566	3.6
245.10553	3.6
249.07906	4.4
251.09343	11.7
254.10623	4.4
255.09039	25.8
257.10513	4.3
267.09009	34.5
269.10504	100.0
273.10004	19.9
278.10519	5.3
279.08856	2.3
284.29449	3.4
285.10083	53.0
287.11670	44.3
290.10599	5.0
292.12109	28.7
296.11685	3.5
303.11096	7.8
308.11758	6.8
310.13156	6.0
321.02594	2.0
331.15860	8.6
333.19614	2.5
349.16800	31.6
351.20132	6.9
367.17917	63.2
368.18332	4.7
372.18417	5.0
385.18921	8.7
390.19501	23.4
390.30554	3.7
390.35733	69.8
391.19562	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96293	1.6
56.96567	25.2
61.02916	1.4
62.41816	0.8
67.05495	1.5
69.03401	1.0
69.07061	1.0
71.40903	0.8
71.60043	1.1
71.60403	1.2
71.95256	3.4
72.96037	1.4
73.02928	1.0
74.97608	1.6
79.05476	1.8
81.07056	1.8
84.96001	1.2
85.02898	2.0
91.05466	1.2
93.07050	1.6
95.08569	1.1
97.02895	1.1
97.96803	3.6
109.10204	0.9
109.36864	1.0
110.97565	0.9
115.97857	3.1
128.98627	4.3
132.10197	2.1
133.98882	1.2
146.99710	5.5
149.02370	2.1
155.03790	1.9
157.01671	1.1
160.00397	1.7
161.01236	1.5
165.00763	2.1
169.01785	1.7
173.01266	2.1
175.02873	1.3
183.03235	1.1
185.04881	2.3
187.02805	1.1
189.04407	1.9
198.91971	0.9
199.02844	1.3
199.06543	2.3
203.05937	3.0
213.04350	1.0
213.08044	3.0
215.05817	1.3
216.03119	0.9
217.03868	1.9
217.07458	4.3
223.08292	1.2
223.10213	2.6
225.07930	2.3
229.07347	0.9
231.09087	6.2
237.07881	1.5
239.09601	5.8
241.03842	1.1
241.11111	22.1
242.08252	3.5
242.11475	1.0
243.08875	1.3
245.10597	1.3
251.09467	1.2
253.11116	2.0
255.05394	1.0
255.09116	1.6
257.10495	5.2
259.12189	38.3
260.09335	3.2
260.12360	1.9
264.12741	5.9
267.09201	2.6
269.10574	3.9
271.12158	1.4
279.08957	1.5
280.09869	2.9
281.10483	1.0
282.13840	5.2
285.10129	3.3
286.10690	1.8
287.11615	2.9
297.10211	4.1
298.10889	3.3
307.15869	2.6
316.12021	2.0
331.15689	6.1
349.16846	49.0
350.17291	1.8
367.17938	100.0
368.18271	6.4
372.18451	3.9
385.18915	7.6
390.19522	32.5
390.35629	7.5
391.19724	2.3
391.24597	3.5
408.20673	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	390.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01846	4.9
55.05506	8.5
56.96555	7.5
59.61786	4.3
67.05495	21.5
69.03428	9.7
69.07052	14.1
71.04988	10.1
71.60667	3.9
71.61033	5.7
72.08122	4.3
79.05498	31.8
81.03396	6.3
81.07058	36.7
83.04973	10.3
83.08595	8.6
85.06530	11.1
86.09685	12.7
91.05485	24.1
93.07057	51.6
95.04964	14.2
95.08575	16.9
97.02885	11.5
97.06525	27.5
99.04456	21.9
105.07037	37.3
107.04952	6.5
107.08585	30.2
109.06525	19.7
109.10147	14.9
113.06012	10.1
117.06979	11.8
119.04984	7.0
119.08566	20.5
121.06502	18.3
121.10121	9.7
123.08067	5.2
125.05964	13.2
127.07508	4.5
131.08517	14.7
133.10106	10.4
135.04424	5.1
135.08064	20.4
135.11673	4.9
137.05940	14.0
139.07570	5.3
141.05470	6.4
143.08609	6.9
145.10136	51.6
147.08015	4.8
147.11691	9.7
148.09662	5.7
151.07492	4.6
154.07742	5.5
155.31201	4.3
159.11710	43.2
161.09584	5.8
169.10104	10.1
173.09602	12.2
175.14830	12.7
177.12900	8.2
179.10577	4.6
187.07526	4.0
187.11203	50.6
197.09634	6.1
205.12276	48.8
207.13808	4.3
215.10759	35.1
223.13243	11.3
233.11696	25.8
251.12799	23.7
269.13965	8.2
291.83438	4.4
300.15967	12.3
309.13245	6.9
337.12802	100.0
346.16574	14.3
352.46133	3.8
354.26132	6.2
355.13928	19.9
391.13910	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	390.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96289	1.4
56.96566	21.2
57.03437	1.1
62.00081	0.8
63.20175	1.0
67.05512	0.9
67.84830	0.9
69.03439	1.4
69.07073	1.3
71.95252	1.8
73.02916	1.3
74.97617	1.0
79.05483	2.4
81.03407	1.8
81.07063	2.0
85.02911	1.5
88.89489	0.8
91.05475	1.7
91.43061	0.9
93.07047	1.3
95.04975	1.4
95.08591	1.2
98.20711	1.8
98.97611	1.3
105.07044	1.2
110.97567	0.9
128.98608	3.4
133.10182	1.3
134.99721	1.2
135.11700	0.8
137.02692	0.9
146.99661	6.3
149.01303	1.2
149.02396	1.8
153.02272	0.9
155.03810	1.5
160.35431	0.8
161.01248	1.8
165.00719	1.6
169.01877	0.9
171.03334	2.0
175.02756	1.2
177.04396	1.0
185.04819	2.3
187.02795	1.2
189.04427	2.8
191.05780	1.2
199.06462	3.0
201.04254	1.3
203.05923	5.7
205.07465	2.5
211.02832	2.2
211.06393	1.6
211.13333	2.0
213.08018	3.3
217.07451	4.7
221.06961	1.6
223.02773	2.0
223.08505	2.6
225.07854	1.3
227.06085	1.2
229.07428	5.1
231.09044	6.5
236.09531	1.1
237.04362	2.8
239.09602	1.3
243.09119	4.1
247.08488	5.0
252.09113	1.2
255.05530	1.5
255.09079	4.8
257.10495	1.9
261.10089	3.6
267.09045	3.2
269.12527	5.9
270.12643	1.1
273.10251	1.6
279.09085	1.6
280.09845	2.8
281.10583	1.6
285.10175	2.0
297.13641	1.0
298.10999	1.6
305.14325	1.9
311.08014	2.7
323.15369	1.8
329.08942	1.4
331.12027	1.7
331.15799	24.0
332.16287	1.4
333.19055	2.5
349.16885	100.0
350.17267	5.6
351.20035	2.2
367.14114	11.7
367.17993	31.5
368.18423	2.1
372.18463	8.4
373.18536	1.1
385.15277	8.2
390.15845	2.2
390.19797	15.2
408.16919	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	390.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.0
55.01860	3.6
55.05496	5.7
67.05502	10.1
69.03413	5.8
69.07056	4.4
69.56075	4.3
69.56480	12.3
70.06584	3.1
71.04989	8.1
78.55084	1.9
79.05492	26.4
81.03397	5.2
81.07053	32.2
83.04984	11.2
85.06528	3.0
86.09716	2.2
87.00838	3.3
91.05471	19.7
92.10063	1.8
93.07037	48.4
95.04964	17.7
95.08583	4.9
97.06519	23.1
99.04443	18.2
100.11259	4.0
101.06010	4.3
105.07018	29.5
107.04955	5.2
107.08586	40.7
109.06510	19.8
111.04372	2.7
111.08096	3.2
113.06001	3.3
117.07011	15.0
119.04919	7.6
119.08590	15.8
121.06503	15.5
121.10126	6.7
123.04443	3.2
123.08053	3.1
125.06011	9.2
127.07510	7.6
129.05530	2.3
129.07028	4.3
129.45129	2.0
130.07729	3.8
131.08565	15.5
133.06445	2.3
133.10114	12.0
135.08064	20.2
135.11671	6.7
137.05983	7.1
139.07545	5.2
141.05450	4.0
143.08562	14.1
143.17563	2.1
144.09300	6.3
145.06508	6.9
145.10120	100.0
147.08034	2.6
147.11696	8.6
149.13293	4.7
153.09052	2.3
154.07669	2.8
155.07028	2.7
155.08485	2.3
157.10086	3.8
158.07281	3.0
159.08076	5.2
159.11682	73.7
160.11998	2.2
161.09630	10.8
161.13159	4.4
163.07539	4.5
163.11191	10.3
169.10126	14.1
171.11607	3.1
173.09581	12.5
177.12727	21.3
179.10703	5.9
181.54495	1.9
187.11172	59.7
187.12801	3.2
188.11571	2.2
189.12755	3.7
191.10858	2.0
191.56828	2.0
197.09668	5.1
199.82127	1.9
205.12234	96.1
211.17021	2.1
215.10663	27.3
223.13295	22.5
226.17310	2.0
233.11681	30.3
251.12791	35.0
267.12277	2.7
269.13815	5.2
291.12344	3.7
293.13788	3.6
309.13260	11.1
337.12820	98.8
338.13290	4.0
355.13828	14.6
357.97253	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	390.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.64269	0.9
69.03420	3.1
69.07054	1.0
71.04984	1.3
71.12645	2.0
72.08173	0.9
73.02917	1.2
79.05494	7.0
80.05022	1.1
81.03421	2.6
81.05786	4.9
81.07057	3.0
85.02908	11.5
86.09709	1.1
91.05474	4.3
94.06570	1.0
95.04954	1.8
95.08607	1.9
96.08134	15.4
97.02891	4.2
98.97544	0.9
99.04504	0.9
103.05474	4.7
105.07033	32.2
106.06532	2.8
107.04946	3.4
107.08577	0.8
109.02850	1.0
109.06538	1.3
115.05449	7.0
118.04132	1.9
119.04923	4.8
119.08579	0.9
121.06511	1.0
124.07592	100.0
125.05968	1.2
125.07927	1.6
127.03909	2.4
132.44351	0.8
133.06497	32.8
133.10133	2.2
134.03668	0.9
134.10449	1.2
142.08661	1.0
143.05995	1.2
145.04974	2.3
147.04321	1.2
149.02330	0.8
149.05971	2.7
151.07539	1.6
153.05486	1.4
161.05983	69.0
162.06276	1.1
167.07022	1.1
168.07861	1.7
174.13568	1.7
180.08748	2.0
192.14647	1.7
193.08609	55.1
194.08948	0.9
211.09650	11.3
228.09749	0.9
228.12254	0.9
229.08606	1.6
271.77887	0.8
272.45267	0.8
373.77365	0.8
385.14984	0.8
390.18478	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	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05495	0.9
57.03435	0.4
68.05018	0.5
69.03412	1.0
69.07050	0.4
69.53364	0.3
70.41321	0.9
70.41749	0.5
73.02899	0.4
79.05488	3.3
79.98315	0.3
80.05003	0.8
81.03437	0.8
81.05791	3.7
81.07053	2.2
83.29008	0.3
85.02910	1.5
86.03245	0.3
91.05470	0.6
94.06570	0.7
95.04969	0.9
96.08129	13.3
96.08753	0.6
97.02876	0.5
97.08425	0.3
105.07021	0.6
106.06544	2.4
107.04962	0.7
107.08557	0.4
109.02879	0.6
111.14664	0.3
120.08109	0.3
122.06034	0.4
124.07587	100.0
125.05969	1.2
125.07918	1.9
127.03896	0.7
129.06992	0.3
133.06476	0.3
142.08620	1.0
147.08061	1.3
159.58147	0.4
163.18124	0.3
165.09116	1.2
177.05565	0.4
179.30022	0.3
193.08505	0.5
202.41216	0.3
206.58353	0.4
390.13739	0.6
390.18140	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	390.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01883	1.2
55.05502	1.9
56.05032	0.9
56.96565	1.6
57.03457	1.5
60.19463	0.7
61.02929	1.0
67.05501	1.3
68.05003	0.8
69.03432	3.5
69.07068	2.8
70.06597	2.1
71.00948	1.4
71.04987	1.3
72.08148	1.1
73.02919	2.2
74.06088	0.7
79.05499	4.8
80.05023	0.9
81.03417	3.3
81.05808	4.5
81.07078	3.5
83.08630	1.0
84.04505	2.0
84.08141	0.7
85.02908	10.6
86.03228	0.9
86.09701	3.3
87.00828	1.0
87.04478	0.9
91.05482	5.7
93.07031	1.6
94.06556	1.4
95.04967	1.6
95.08635	0.8
96.08132	13.0
96.54949	0.6
97.02889	2.8
97.06512	1.3
98.97602	1.2
99.04463	1.0
103.05480	1.0
105.07043	5.0
106.06550	1.6
107.04965	9.2
107.08601	2.6
109.02899	2.0
109.06508	1.0
111.08089	0.7
115.03962	0.7
115.05438	0.9
116.01687	1.2
116.98626	1.2
119.08604	1.2
120.08111	1.4
121.06506	1.9
121.10102	1.2
122.06036	1.0
123.08104	0.8
124.07598	100.0
125.06010	0.9
125.07929	2.8
125.09624	2.6
127.03930	2.9
129.06999	2.9
131.04968	0.8
131.08519	1.1
133.06491	4.1
133.10106	0.9
135.08099	0.7
137.05983	1.2
137.09700	0.7
138.05466	1.0
138.09146	1.1
140.04720	0.9
142.08624	1.6
143.10677	1.6
145.02808	0.8
145.04980	2.1
147.04416	1.0
147.08054	14.9
147.11662	0.9
149.05951	0.9
155.07079	1.5
157.07625	0.9
159.02959	0.7
161.05984	6.8
162.02179	1.9
162.07668	1.3
165.06998	0.8
165.09125	9.0
177.05486	2.2
181.04977	2.0
182.05363	1.7
183.08105	0.7
192.14676	0.9
193.08621	5.7
201.12387	1.0
210.15742	1.0
211.09698	2.1
227.09177	2.9
228.07648	1.4
228.09598	3.2
228.12267	1.6
229.07303	1.2
237.02849	1.1
247.08527	0.9
315.13690	1.3
352.64313	0.7
372.21506	1.0
390.17929	10.5
391.12936	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	389.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
54.32538	0.9
55.01862	2.7
55.05505	8.6
56.96551	1.4
57.03419	3.4
61.02910	2.8
61.53707	0.9
65.03944	1.0
67.05481	3.4
68.16335	0.9
69.03433	9.0
69.06721	1.1
69.07067	11.6
70.06585	3.2
71.04981	4.0
71.59191	1.4
71.59577	1.5
72.08145	6.9
73.02914	1.7
74.06060	1.2
75.94724	0.9
79.05494	7.5
81.03404	2.8
81.05787	3.3
81.07064	10.3
83.04983	16.2
83.08611	2.1
84.04487	1.2
84.08148	2.3
85.02435	1.2
85.02906	20.5
85.06508	2.3
86.09705	15.4
87.04427	1.0
87.05585	1.0
91.05478	6.3
93.07049	8.5
94.06562	1.5
95.04981	4.8
95.08601	14.0
96.05251	1.0
96.08135	15.8
97.02882	5.9
97.06526	9.8
98.97589	1.7
99.04462	2.7
99.08112	1.1
103.05457	3.5
105.07029	19.3
106.06527	2.3
107.04940	5.3
107.08590	13.6
107.75185	1.0
109.02854	1.7
109.06506	4.4
109.10149	7.2
111.04462	1.1
111.08077	4.6
115.05425	2.0
116.98627	2.5
119.04935	2.9
119.08581	4.8
120.08106	1.0
121.06482	2.2
121.10139	12.7
122.05994	1.7
123.08044	5.1
123.11729	1.8
123.30453	1.1
124.07592	100.0
125.06016	1.3
125.09623	2.2
127.03918	5.1
127.11171	4.2
130.33144	1.0
131.04895	3.0
131.08557	5.3
133.06502	15.1
133.09117	1.8
133.10129	33.4
135.08046	6.1
135.11684	7.2
137.05969	1.2
137.09599	1.7
138.09138	1.3
141.05444	2.0
141.09079	1.1
142.08679	1.4
145.04958	2.5
145.06531	1.2
145.10086	2.7
147.04408	1.8
147.11696	5.6
149.05914	1.4
149.09596	4.0
149.13260	4.7
151.07524	1.3
151.11131	2.8
153.09149	6.3
158.10892	1.7
161.05984	26.6
161.13255	1.2
163.07571	1.2
163.11186	1.9
163.14821	8.4
165.12741	1.5
167.07011	1.6
171.10193	1.2
173.13260	21.4
175.10950	1.1
175.14673	1.1
177.00763	1.4
179.06975	1.3
180.08614	1.2
181.04890	1.1
189.12549	1.4
191.14304	23.2
193.08597	21.5
203.10670	1.5
204.06557	3.4
207.13707	1.8
209.11629	1.2
209.15387	29.7
211.09668	4.3
227.14172	1.6
227.16371	6.4
228.07814	1.0
228.12398	0.9
234.49742	1.0
237.02884	2.0
261.14502	1.0
389.17966	31.4
389.22861	1.8
390.18253	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	389.2169
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03932	8.3
55.01855	14.5
55.05502	13.3
55.32859	3.7
56.33325	3.9
57.03428	15.1
57.78698	3.6
67.05492	13.9
69.03426	36.4
69.07065	13.9
69.28114	11.2
69.28526	34.2
70.06577	8.0
71.04975	14.9
72.57635	3.7
79.05493	11.0
81.03423	33.3
81.07060	35.1
83.04965	13.0
83.08619	4.2
85.02899	74.8
85.06532	8.5
86.09688	10.3
87.00805	4.3
87.04515	4.0
91.05483	19.2
93.07037	31.2
95.04952	18.3
95.08609	40.2
97.02876	16.8
97.06528	24.8
98.20782	9.3
99.04468	23.4
99.08067	5.5
103.05423	8.9
105.07018	26.6
107.08589	48.8
109.02863	25.0
109.06508	38.5
109.10175	21.5
111.04470	4.0
111.08056	10.4
113.09653	8.1
115.07573	8.5
117.06997	5.5
118.99138	4.4
119.08595	22.0
121.10145	34.7
123.08057	23.4
123.11712	8.8
124.07607	4.2
125.09613	14.6
127.03916	69.3
127.07503	4.8
131.04906	19.2
131.08554	21.4
133.10126	90.3
134.10512	6.7
135.08055	16.8
135.11678	12.9
137.05995	6.6
137.09622	8.2
141.09096	9.8
145.04956	6.3
145.10117	14.5
147.11690	27.1
149.05917	4.3
149.09586	12.6
149.13255	22.1
151.07576	6.0
151.11177	15.1
153.09125	20.4
158.10925	8.7
160.50081	3.4
161.13283	6.9
163.07498	5.8
163.11142	6.5
163.14839	24.4
167.07057	8.1
171.10201	8.0
173.13251	49.2
175.07600	4.8
177.05431	7.5
179.14322	9.2
181.04921	24.1
191.14299	68.0
196.15781	4.7
207.13708	4.4
209.08070	11.8
209.15390	100.0
213.03976	8.0
227.16405	60.3
228.16579	4.3
231.04854	8.0
243.04329	4.0
254.27374	4.2
371.13492	6.6
389.12613	6.8
389.17905	20.3
389.25275	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	389.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.3
55.01855	14.5
55.05502	13.3
55.32859	3.7
56.33325	3.9
57.03428	15.1
57.78698	3.6
67.05492	13.9
69.03426	36.4
69.07065	13.9
69.28114	11.2
69.28526	34.2
70.06577	8.0
71.04975	14.9
72.57635	3.7
79.05493	11.0
81.03423	33.3
81.07060	35.1
83.04965	13.0
83.08619	4.2
85.02899	74.8
85.06532	8.5
86.09688	10.3
87.00805	4.3
87.04515	4.0
91.05483	19.2
93.07037	31.2
95.04952	18.3
95.08609	40.2
97.02876	16.8
97.06528	24.8
98.20782	9.3
99.04468	23.4
99.08067	5.5
103.05423	8.9
105.07018	26.6
107.08589	48.8
109.02863	25.0
109.06508	38.5
109.10175	21.5
111.04470	4.0
111.08056	10.4
113.09653	8.1
115.07573	8.5
117.06997	5.5
118.99138	4.4
119.08595	22.0
121.10145	34.7
123.08057	23.4
123.11712	8.8
124.07607	4.2
125.09613	14.6
127.03916	69.3
127.07503	4.8
131.04906	19.2
131.08554	21.4
133.10126	90.3
134.10512	6.7
135.08055	16.8
135.11678	12.9
137.05995	6.6
137.09622	8.2
141.09096	9.8
145.04956	6.3
145.10117	14.5
147.11690	27.1
149.05917	4.3
149.09586	12.6
149.13255	22.1
151.07576	6.0
151.11177	15.1
153.09125	20.4
158.10925	8.7
160.50081	3.4
161.13283	6.9
163.07498	5.8
163.11142	6.5
163.14839	24.4
167.07057	8.1
171.10201	8.0
173.13251	49.2
175.07600	4.8
177.05431	7.5
179.14322	9.2
181.04921	24.1
191.14299	68.0
196.15781	4.7
207.13708	4.4
209.08070	11.8
209.15390	100.0
213.03976	8.0
227.16405	60.3
228.16579	4.3
231.04854	8.0
243.04329	4.0
254.27374	4.2
371.13492	6.6
389.12613	6.8
389.17905	20.3
389.25275	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	389.158
Annotation	Simulanol
Peak:m/z	Relative Intensity
50.79530	3.3
52.19352	3.2
53.03944	5.1
55.01865	37.8
55.05508	13.7
56.96579	3.6
57.03436	3.1
59.05003	10.2
65.03944	9.0
67.05503	20.8
68.99809	3.0
69.03432	23.9
69.07060	12.7
70.06600	6.9
71.04986	5.3
79.05497	21.8
81.03408	9.4
81.07051	41.6
83.04985	6.2
83.08615	13.4
84.04480	4.1
84.08155	5.3
85.02902	20.4
85.06496	6.1
86.09673	15.9
87.00800	3.9
91.05475	14.2
93.07018	16.7
95.04966	20.3
95.08621	18.8
97.02897	12.1
97.06509	11.4
98.21539	7.0
98.97614	3.8
99.04443	6.4
100.11265	3.4
102.05536	3.8
103.05478	18.1
103.97261	3.5
105.01884	4.6
105.07014	17.5
107.04936	22.8
107.08624	15.5
109.02915	6.6
109.06538	10.4
109.10159	16.6
111.04485	5.3
111.08067	7.2
114.60798	3.0
115.05424	5.2
117.07002	7.7
119.04984	4.0
119.08559	8.4
121.06528	7.5
121.10161	15.0
122.03631	5.8
122.09678	13.2
123.04450	17.2
123.08079	7.7
123.10032	11.8
123.11707	44.9
124.05244	3.8
125.06004	5.5
125.09630	5.0
125.20129	3.5
127.03888	15.0
128.06226	4.6
129.06992	19.6
131.04907	26.3
131.08585	13.3
133.10133	11.0
135.08023	6.1
135.11729	5.4
137.05974	69.3
137.09593	4.0
137.11482	3.7
139.03918	3.6
141.06960	5.8
141.12759	8.0
142.07707	5.3
143.08553	4.8
145.04939	3.7
145.06407	6.2
145.10088	6.6
147.11787	5.4
149.05974	12.6
151.07509	5.9
151.11197	6.4
153.05522	7.4
157.06445	18.0
157.10146	4.8
158.07281	7.7
158.10468	6.9
159.08055	7.7
159.11682	4.4
160.05145	3.8
161.05975	4.2
161.09567	5.6
161.13342	4.2
161.43773	3.0
163.07578	11.8
163.11206	4.5
167.07033	41.8
169.06502	6.4
171.06509	13.2
174.06781	15.8
175.07553	28.7
176.11600	3.3
177.05472	40.6
181.04947	92.4
181.06502	5.7
183.06606	19.7
185.09586	4.8
186.06796	5.3
186.10039	12.8
187.07571	12.0
188.08344	3.8
189.07286	5.6
189.09087	45.2
191.07027	6.2
191.08575	3.4
198.14902	4.2
199.15221	3.5
201.09149	13.1
203.10666	4.3
204.11026	6.7
205.08565	3.9
206.07289	6.7
209.08086	67.0
209.09914	5.5
209.15358	9.5
217.06508	9.4
217.08578	7.5
218.07291	10.1
219.08054	12.5
219.10115	73.5
226.14409	11.5
227.14656	25.4
227.16443	5.9
231.05022	8.6
231.08089	4.5
232.10500	5.0
233.09561	10.0
234.06808	9.0
235.07591	6.2
235.09810	7.4
237.09023	4.3
246.06793	10.6
247.07619	9.7
248.08350	7.0
249.09013	20.3
250.09746	4.9
251.10774	7.5
261.09103	23.2
262.06241	5.6
262.09860	4.2
263.07031	7.6
263.10938	3.2
264.07813	5.6
265.08499	4.1
277.08575	53.6
278.09354	14.0
279.10199	11.3
280.07953	3.3
280.11194	3.3
281.11597	7.3
289.08575	7.4
290.09494	3.8
291.10083	6.5
293.08585	3.4
293.11734	11.8
294.08798	5.1
306.08954	3.2
307.09717	4.9
308.10410	4.3
309.11246	20.7
311.12671	6.2
321.11206	15.4
323.09396	3.9
327.12350	3.9
335.22412	4.6
336.11548	6.9
339.12292	83.3
340.12747	5.8
341.09781	3.2
341.13834	7.6
353.13947	7.0
354.12936	7.6
359.14703	6.1
371.14896	100.0
372.14987	5.0
389.16016	73.0
389.20773	7.3
389.27087	6.5
390.15756	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	388.1793
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93476	1.4
56.96294	2.2
56.96564	30.3
71.60080	2.2
71.95263	2.8
79.05489	2.2
81.03401	1.8
81.07067	3.7
84.96027	1.2
105.07043	4.1
106.07334	1.8
128.97560	1.5
128.98668	2.1
137.02759	1.5
145.01634	1.8
146.99652	3.3
165.00879	1.5
169.01698	1.7
171.03285	2.5
173.04842	2.4
179.02289	1.5
185.04800	1.6
189.04340	3.5
197.04837	2.4
199.06396	4.2
201.04329	2.9
201.08032	2.3
203.05936	6.2
209.04962	1.7
211.06410	2.0
217.07510	4.9
217.38441	1.5
223.06435	1.9
227.05968	1.8
229.07539	4.0
237.08075	2.5
243.09094	3.4
245.06938	2.8
255.08955	3.5
329.14233	22.1
345.13443	1.6
347.15295	85.5
348.15671	3.8
365.16370	100.0
366.16705	5.7
370.16730	11.7
383.17453	2.1
388.17969	25.6
388.29446	1.5
388.34543	2.4
389.18314	1.9
406.19241	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26529	1.7
55.01849	2.1
55.05494	5.0
56.96564	3.1
57.03415	2.1
58.73337	1.8
59.49395	1.8
63.89219	2.0
65.03946	1.9
67.05482	7.1
68.05843	1.8
69.03418	4.2
69.07054	4.8
70.06564	4.0
70.86370	3.6
70.86698	1.8
71.04984	2.4
73.55682	1.8
74.36455	1.6
75.79485	1.7
76.52036	1.7
79.05465	6.8
81.03400	2.0
81.07062	10.4
83.04960	3.9
83.08593	2.9
84.08097	2.5
85.02888	9.2
85.06521	2.8
86.06058	3.2
86.09684	3.8
91.05459	5.3
93.07019	7.5
95.04942	4.8
95.08608	8.7
97.02894	3.6
97.74751	1.9
103.05401	2.1
105.07026	25.3
107.04897	1.8
107.08574	7.9
109.06490	5.5
109.10145	4.3
117.07000	3.0
119.04932	1.7
119.08554	5.1
121.06469	3.8
121.10125	4.9
123.08038	1.9
125.05965	2.2
127.03859	5.1
129.06940	3.0
131.08540	7.3
133.06483	2.8
133.10158	8.6
137.05986	14.3
138.06332	8.7
142.07768	4.1
143.08583	3.0
145.06511	2.1
145.10115	6.6
147.11673	3.6
151.03920	1.7
151.07539	3.1
153.05450	2.9
157.10149	11.2
158.10544	2.0
159.08052	2.7
159.11674	6.1
161.09537	2.8
173.09610	4.0
173.13243	6.3
175.11111	7.0
181.04858	2.9
182.05241	2.3
185.09613	10.2
191.14281	9.3
203.10716	20.4
208.16960	3.6
213.09055	5.6
221.11777	8.6
226.17992	16.4
231.10164	2.6
249.11234	4.0
267.01929	2.7
296.12927	2.9
307.11713	5.1
314.17313	2.1
319.14215	3.4
330.13275	9.5
331.14398	2.3
335.11200	3.0
344.14828	4.1
345.15591	5.8
358.12863	3.3
358.16614	47.1
372.18118	2.6
373.18826	70.5
374.17990	1.8
388.14847	10.8
388.21103	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	388.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
52.95352	6.8
55.01867	13.7
55.05514	19.0
59.77684	8.4
67.05495	35.3
69.03445	37.9
69.07058	25.2
71.04999	15.8
71.15334	9.1
71.15674	16.6
72.98652	7.1
73.02906	9.0
76.62828	9.0
79.05486	43.4
81.03416	17.8
81.07069	37.3
83.04978	18.1
85.02892	43.5
85.06547	11.7
86.09694	34.6
91.05474	43.2
93.07039	16.9
95.04967	56.9
95.08613	37.6
97.02882	30.1
97.06532	55.2
99.04436	16.1
105.01833	15.6
105.07040	100.0
107.04953	18.9
107.08607	41.4
109.02890	13.4
109.06500	32.2
113.06020	18.7
115.59428	9.0
116.10710	13.7
117.06901	8.0
119.04913	16.8
119.08582	21.5
121.06492	28.8
121.10120	10.7
123.08035	28.0
127.03889	44.7
128.10724	54.5
128.34792	8.0
129.06960	15.2
131.08568	31.7
131.41063	7.8
133.06494	23.4
133.10071	17.5
135.11670	7.9
137.05974	80.0
138.06320	39.4
141.05484	38.9
142.07745	32.1
143.08546	9.7
145.04964	20.5
145.06465	10.6
145.10114	23.1
146.11771	13.1
147.11674	16.3
151.03908	11.5
151.07515	19.1
157.10123	43.1
158.07295	10.7
159.02887	9.0
159.08038	29.6
159.11694	29.2
161.09656	21.3
167.07086	12.8
167.08441	8.6
173.09630	28.1
175.11166	45.0
177.09059	9.3
181.04930	15.8
182.05331	12.1
185.09644	94.5
191.14320	19.2
195.37617	8.7
203.10652	68.2
206.08772	8.5
209.15295	13.4
213.09146	66.9
221.11714	43.1
228.15973	19.1
231.10201	42.8
246.17114	17.1
249.11255	47.3
256.19101	17.8
272.21362	8.1
290.16064	46.5
302.20102	7.7
307.11673	8.7
317.09991	12.2
323.59955	8.5
335.11276	70.8
353.12329	57.4
358.13611	16.6
388.14682	49.7
388.19714	33.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.2
54.12033	3.1
55.01871	8.4
57.65141	3.4
65.03930	4.5
67.05493	16.1
69.03426	11.7
69.07081	4.9
70.99779	6.5
71.00092	4.7
79.05488	30.5
81.03403	9.6
81.07063	19.7
83.04962	16.3
84.04505	16.8
86.09698	77.5
91.05472	25.5
93.07037	14.3
95.04966	40.7
95.08615	16.7
97.02878	6.8
97.06525	7.0
102.05524	6.7
103.05472	4.3
105.07024	100.0
107.04934	11.3
107.08581	26.0
109.06514	20.3
113.05965	10.8
117.07018	8.0
119.04943	11.7
119.08582	10.9
121.06504	21.0
121.10120	4.7
123.04391	4.4
127.03843	5.7
129.06970	14.1
131.08557	20.2
133.06487	32.2
133.10141	13.2
134.11559	3.8
135.08052	5.7
137.05962	16.3
141.05496	19.9
141.07021	4.6
142.07770	34.2
143.08524	6.5
145.06483	9.3
145.10129	12.8
146.11763	32.3
147.11641	11.8
151.07509	6.0
153.07068	4.3
155.06866	3.9
157.06479	8.3
157.10126	53.8
158.07365	3.4
159.08058	19.9
159.11705	13.5
161.09598	19.7
163.07440	3.6
167.07234	3.3
167.08551	9.3
169.09981	3.9
170.11700	3.9
172.08801	4.6
173.09622	20.5
175.11154	35.6
177.09113	7.0
181.04967	6.8
185.09615	78.5
187.11191	10.9
195.08073	6.2
197.12828	9.3
198.06786	3.8
203.10686	64.8
213.09091	66.5
215.13858	21.2
221.11693	24.9
226.64801	3.6
231.10150	35.3
243.13426	9.7
249.11186	39.8
267.12268	4.6
268.07553	3.4
291.34738	3.3
307.12125	4.0
317.10236	22.2
335.11273	52.1
353.12311	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	387.2012
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03928	3.9
54.11487	1.4
55.01857	3.9
55.05507	3.4
57.03427	7.3
57.07055	1.9
59.05001	2.7
61.02914	6.6
67.05483	6.6
67.64236	1.2
69.03428	26.3
69.07062	7.5
70.06583	9.6
70.98919	3.2
71.04974	5.3
73.02898	3.3
76.03999	2.1
79.05484	4.7
81.03419	10.6
81.07046	7.1
83.04975	3.1
84.04479	2.8
85.02903	60.9
86.09704	18.9
87.04456	4.5
91.03952	2.9
91.05476	8.9
93.07037	6.5
95.04935	4.2
95.08603	52.3
97.02886	17.5
97.06530	3.7
99.04440	4.9
105.07025	17.2
107.08595	9.6
109.02893	4.2
109.06514	69.9
109.10155	6.7
117.06994	3.4
119.08583	31.0
121.06493	3.9
121.10154	17.6
123.08066	19.2
123.11697	5.7
125.05951	3.7
127.03898	14.5
130.05006	2.0
131.08588	3.2
133.06482	7.7
133.10127	19.2
135.08104	2.8
135.11687	42.5
137.05998	4.4
137.09583	9.4
137.13245	4.1
138.35989	1.4
143.08612	2.6
145.04953	11.4
145.06468	2.0
145.10130	5.8
146.10878	1.9
147.08032	4.9
147.11671	25.7
149.09605	30.3
151.07521	22.4
151.11188	2.7
156.09332	2.9
159.11676	2.5
161.09583	1.7
161.13249	63.4
162.13678	1.6
163.11192	21.3
165.12701	5.3
171.11684	7.4
174.10393	6.4
179.14284	6.5
189.12729	67.4
189.54530	1.5
207.13799	100.0
208.14082	2.5
225.14859	35.5
387.15909	6.6
387.20526	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2014
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03933	2.2
55.01873	3.1
55.05515	1.5
57.03440	7.5
57.07065	2.4
57.63183	1.0
59.04990	2.4
61.02934	7.0
67.05512	6.2
69.03429	20.3
69.07055	2.9
69.65752	6.7
71.04985	4.4
71.05371	0.9
73.02911	3.2
73.11122	1.0
78.09316	1.1
79.05483	4.8
79.19125	0.9
81.03413	12.2
81.07040	8.0
83.04967	4.1
83.08653	1.1
85.02905	48.8
85.06529	2.4
86.09700	3.4
87.04443	3.7
91.03948	2.9
91.05486	3.7
93.07037	5.3
95.04955	5.1
95.08611	7.7
97.02892	18.7
97.06512	6.0
99.04459	4.5
105.07034	9.2
107.04949	3.2
107.08591	7.3
108.05785	1.0
109.02219	1.0
109.02853	6.7
109.06538	6.5
109.10120	4.3
111.08047	1.3
117.07064	1.3
119.08584	7.9
121.06493	4.0
121.10130	7.4
122.09675	6.1
123.08067	36.2
123.11670	1.8
124.11213	1.6
125.05989	6.7
127.03911	14.3
129.07050	1.3
131.08571	2.0
133.06499	2.6
133.10107	6.4
135.08072	1.8
135.11696	3.0
136.11205	1.4
137.05966	10.2
137.09613	1.4
143.08559	3.3
145.04970	18.3
145.10103	4.5
147.11676	4.5
149.09608	3.2
150.09206	2.1
151.07539	59.7
151.11188	1.5
153.09064	2.9
161.09602	1.6
161.13280	3.2
163.06076	2.0
163.11188	27.6
165.09106	1.2
165.12773	4.0
167.07039	2.9
171.11681	3.0
173.13260	1.1
177.05299	1.1
180.13754	1.2
181.04935	1.3
181.12233	18.9
189.12764	15.6
191.07126	1.5
191.14230	5.8
192.11531	1.6
193.12236	3.2
198.14920	4.2
200.07809	1.0
203.10764	1.7
207.13803	100.0
208.14160	2.5
209.15366	7.5
211.13266	1.7
213.09093	1.3
225.14856	16.0
226.14389	11.3
307.09592	1.7
317.94662	1.2
319.09552	1.7
337.10657	3.5
351.12244	1.3
357.13620	1.8
369.13519	1.4
369.18869	1.7
387.14499	4.9
387.20068	53.3
388.20493	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79442	0.6
53.03945	11.2
55.01874	0.8
55.05511	52.9
57.03431	2.4
57.07077	21.1
59.05004	3.1
60.78106	0.8
67.05508	3.1
69.03430	38.2
69.07068	58.0
69.91485	1.8
69.91901	2.0
71.04603	0.7
71.04997	13.2
71.08632	11.1
71.71028	0.6
73.06542	2.2
81.03422	21.8
81.07068	7.1
83.04970	1.6
83.08619	100.0
85.02902	7.3
85.06544	0.9
85.10252	0.7
87.00838	3.3
91.05453	0.8
93.07054	1.9
95.04977	1.4
95.08594	3.3
97.02880	1.8
97.06516	1.1
97.10172	16.7
99.04454	32.8
99.08095	1.4
100.22151	0.6
101.09661	1.3
105.01881	1.9
105.07041	1.5
106.75750	0.6
107.08575	1.6
107.38763	0.8
109.02882	5.6
109.06525	0.8
109.10161	1.8
111.04445	1.8
111.08071	0.9
116.10719	0.6
119.08575	1.1
121.10150	1.1
123.04422	0.7
123.08039	0.9
123.11686	0.8
125.09662	1.2
127.03922	25.7
135.08087	1.1
135.11699	0.6
137.06006	5.0
137.09680	0.8
137.35448	0.7
139.14813	14.4
140.15027	0.6
141.72470	0.7
143.03416	0.8
145.04962	1.4
157.15852	7.1
163.11275	1.0
167.14316	1.2
179.10825	0.9
179.50813	0.7
181.04997	1.2
185.15363	5.3
187.06017	10.2
197.15378	0.7
202.76173	0.6
207.13844	1.0
213.03944	15.2
213.05981	1.0
215.05634	0.7
231.05005	66.0
232.05386	0.8
265.17883	0.9
311.19397	0.7
357.13138	0.8
369.19135	13.5
387.14511	3.0
387.19907	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	387.2013
Annotation	Staphylionoside A
Peak:m/z	Relative Intensity
53.03943	2.3
55.01866	3.8
55.05495	3.9
57.03433	6.3
57.07068	2.4
58.40467	1.0
59.04980	2.1
61.02930	7.3
62.38313	1.1
65.03940	1.4
67.05492	4.8
67.27503	1.2
69.03431	16.2
69.07059	3.6
70.06586	7.3
70.86329	3.8
71.04983	5.1
72.08150	2.2
73.02914	2.5
74.06051	1.3
79.05485	7.8
81.03400	7.6
81.07064	11.5
83.04964	5.0
83.08622	2.3
84.08139	3.9
85.02907	40.9
85.06538	3.6
86.06047	1.6
86.09710	6.0
87.04480	2.4
91.03947	4.4
91.05465	7.7
93.07047	9.7
95.04981	5.8
95.08595	10.1
97.02883	12.7
97.06542	10.2
99.04452	4.4
99.08092	4.0
103.05476	2.3
105.03400	1.8
105.07034	12.9
106.04157	5.5
107.04928	3.7
107.08578	10.4
107.70463	1.4
109.02859	4.0
109.06517	9.7
109.10170	8.5
111.08086	2.0
115.05452	1.6
118.04187	1.7
119.08571	9.8
121.06516	7.4
121.10136	11.7
122.03626	1.7
122.07169	1.2
123.08061	50.5
124.07578	1.5
125.05993	11.3
127.03944	7.9
129.10246	2.7
131.04918	3.5
131.08572	4.0
133.06491	9.3
133.10138	7.3
134.80811	1.3
135.08020	5.1
135.11665	5.3
137.05971	24.5
137.09610	3.0
137.13248	6.3
139.07532	1.5
143.04880	1.4
143.08557	1.3
145.04976	9.2
145.05945	1.4
145.06505	1.7
145.10124	4.8
147.08043	1.7
147.11676	6.9
149.05992	9.5
149.09592	8.0
151.07541	28.6
151.11166	4.5
153.09076	2.1
159.07971	2.3
159.11691	1.8
161.05980	5.5
161.13252	4.7
163.11177	16.2
165.09097	1.4
165.12764	3.3
167.07066	7.9
167.10506	1.4
168.59612	1.2
171.11632	2.8
173.05954	1.4
173.13182	1.5
175.11240	2.1
177.05498	13.1
177.12769	9.4
179.06992	3.0
179.14276	13.5
181.05003	3.9
181.12222	11.4
189.12720	12.3
191.06964	3.2
191.14319	2.6
192.07748	3.2
192.11409	1.9
195.13805	2.5
207.06509	3.0
207.13800	100.0
209.15297	2.8
215.07152	1.3
225.07626	1.8
225.14868	25.7
266.09213	1.3
335.11078	2.0
357.13364	3.1
369.13498	1.6
369.19022	3.1
387.14355	9.4
387.20062	35.2
388.20129	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	387.2014
Annotation	Sonchuionoside A
Peak:m/z	Relative Intensity
53.03945	2.6
55.01874	5.4
55.05507	12.7
57.03436	10.2
61.02918	7.5
65.03937	2.9
67.05502	10.9
69.03430	29.4
69.07063	6.7
70.06595	3.8
71.04990	14.0
71.58326	2.4
71.58742	3.0
72.08150	6.1
73.02925	6.8
76.07527	2.4
77.26567	2.4
79.05488	10.8
81.03415	8.5
81.07065	19.2
83.04981	13.2
83.08613	5.3
84.04495	4.1
84.08122	3.0
85.02901	61.8
85.06528	5.7
86.09690	8.6
87.00838	4.7
87.04472	5.3
91.05479	25.3
93.07041	23.4
95.04977	11.9
95.08596	20.2
97.02902	24.3
97.06541	10.1
97.10171	4.6
98.10518	4.1
98.97605	4.2
99.04449	13.2
99.08074	6.8
105.01875	6.6
105.07031	21.0
107.08607	23.1
109.02895	7.1
109.06535	15.7
109.10181	19.2
111.08046	12.7
113.06008	3.3
113.09641	3.2
115.05363	2.5
117.07027	6.4
119.08575	20.0
121.06503	8.4
121.10168	20.8
123.08077	31.6
123.11723	6.3
125.06019	5.3
125.09641	8.4
126.10036	6.7
127.03938	17.9
128.82991	3.1
128.86674	2.6
131.08562	8.8
133.06497	5.4
133.10101	15.5
135.08076	7.4
135.11650	14.1
137.05968	3.4
137.09622	11.3
139.11162	2.6
141.35420	2.7
143.08514	5.7
145.04936	18.8
145.06482	9.6
145.10144	13.7
147.08020	4.0
147.11690	10.7
149.09634	19.4
151.07550	28.9
151.11179	20.2
159.08081	5.9
159.11702	7.9
161.06161	2.6
161.13318	17.0
163.07582	5.8
163.11172	53.2
165.09171	3.9
165.12735	5.6
167.07085	4.6
167.10732	4.6
171.11731	4.2
175.11064	3.2
177.12761	11.7
179.07016	4.1
179.10696	3.6
179.14340	3.2
181.12234	26.6
187.07555	12.5
189.11198	3.2
189.12738	29.8
190.11507	6.0
191.14352	6.4
195.13795	2.9
205.08659	3.8
207.13799	100.0
209.15382	3.9
211.07442	4.9
225.14848	57.8
226.08672	6.1
229.08658	10.6
245.13905	8.0
246.14151	30.0
291.16150	4.5
351.18179	4.3
353.66132	3.4
369.19019	19.3
387.15833	10.1
387.20245	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	387.2013
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.12794	1.1
53.03952	2.0
55.01865	2.3
55.05510	3.5
57.03433	6.0
57.07055	1.7
61.02912	6.6
67.05494	5.7
69.03434	14.5
69.07056	3.4
70.06591	2.4
70.76643	3.4
71.04986	4.9
73.02905	1.7
76.66449	1.0
79.05493	5.1
81.03405	6.9
81.07069	8.2
83.04989	3.0
83.08608	2.7
85.02902	36.1
85.06566	2.2
86.09690	3.1
87.04435	2.4
91.03957	1.5
91.05463	6.0
93.07047	9.2
95.04951	4.1
95.08616	8.2
97.02896	13.2
97.06543	2.6
99.04433	9.1
105.07046	10.7
107.08590	10.4
109.02874	5.0
109.06518	28.6
109.10146	8.3
111.08107	2.5
115.03947	1.1
117.07029	2.3
119.08569	12.5
121.06498	3.7
121.10153	14.7
123.08077	14.0
123.11725	2.7
125.06004	2.7
125.09645	1.4
127.03900	7.7
127.11204	2.2
129.07033	1.6
131.08554	2.6
133.06482	2.5
133.10120	9.2
135.08066	5.0
135.11710	4.4
137.06044	7.8
137.09602	8.8
137.13199	2.4
145.04962	7.4
145.10141	3.3
147.08067	2.6
147.11673	9.9
149.09612	30.2
149.10748	2.2
149.13245	1.8
151.07533	12.1
151.11198	5.6
156.09337	1.8
159.11682	3.0
161.09636	1.9
161.13289	8.7
163.11166	13.1
165.09210	1.4
165.12752	6.0
167.07004	2.3
171.11696	2.1
174.10413	1.9
177.12727	12.6
179.14322	4.5
181.12283	4.1
189.12755	20.8
189.65694	1.2
190.13246	1.1
191.14220	1.6
195.13814	3.9
197.11650	1.2
207.13805	100.0
208.14223	1.1
225.14838	38.6
248.45335	1.1
387.14795	3.5
387.20004	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	387.1802
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01585	0.2
51.02375	0.2
51.65233	0.1
53.03939	0.7
53.34891	0.1
55.05507	0.2
56.96554	0.3
57.03413	0.1
67.05495	0.4
69.03442	0.7
69.75252	0.1
69.94866	0.7
70.81907	0.1
71.04967	0.1
77.03903	0.2
79.05490	3.7
80.24339	0.1
81.03416	0.7
81.07046	0.3
81.77982	0.1
83.04977	0.2
84.90665	0.1
85.02924	0.4
91.05475	0.5
93.07053	1.1
95.04978	1.0
95.08572	0.2
97.02889	0.3
97.06544	0.2
98.20879	0.2
103.05461	2.4
105.07030	100.0
106.07361	1.9
109.06509	0.1
109.10120	0.2
111.04444	0.2
119.04948	1.6
121.06517	1.2
129.05481	0.1
131.08624	0.2
133.10146	0.2
137.06111	0.2
145.10130	0.1
147.06525	0.2
349.16714	0.2
352.18073	0.1
353.44186	0.1
387.18134	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	387.1439
Annotation	(-)-(3S,4R,6S)-3-(3',4'-Methylenedioxy-alpha-hydroxybenzyl)-4-(3'',4''-dimethoxybenzyl)butyrolactone
Peak:m/z	Relative Intensity
51.00703	0.7
52.49397	0.6
53.03925	0.6
55.01846	1.7
55.05500	2.0
56.79240	0.5
56.96561	1.6
57.03437	0.8
57.07055	0.6
63.11030	0.6
64.97196	0.8
65.03926	1.5
67.05508	5.6
69.03416	2.6
69.07073	5.2
70.06590	0.9
71.04987	1.4
71.61056	1.3
72.08144	0.8
79.05492	4.2
81.03404	1.5
81.07050	8.6
82.04165	0.9
83.04986	1.6
83.08626	1.7
84.08192	0.7
85.02899	2.5
85.06536	1.4
86.09693	1.4
87.04391	0.7
90.48469	0.7
91.05476	4.0
93.07042	5.0
94.04177	2.4
95.04952	2.8
95.08609	6.8
97.02872	2.0
97.06516	3.6
97.10151	0.6
98.97560	1.9
99.04445	0.7
99.08083	1.0
103.05455	3.1
105.07037	4.7
107.04948	2.5
107.08580	5.1
109.06504	2.9
109.10151	5.5
111.04448	1.4
111.08068	1.1
115.05430	2.6
116.98607	1.1
117.07001	2.8
118.04177	0.8
119.08586	3.7
121.06527	1.3
121.10116	3.8
122.03625	7.6
123.04408	1.0
123.08044	1.9
123.11691	1.9
125.06018	1.3
125.09675	1.5
129.06972	0.9
131.04935	2.0
131.08585	2.8
133.06476	1.5
133.10143	2.6
134.99628	0.9
135.08093	1.0
135.11670	2.2
137.05975	100.0
138.06279	1.3
139.03908	0.8
139.16631	0.6
143.04948	2.2
143.08577	1.3
145.06454	3.3
145.10159	2.2
147.08061	1.0
147.11665	2.0
148.05208	1.1
149.09608	1.3
149.13246	1.2
151.03893	7.7
151.04988	1.1
151.07530	1.1
153.05457	0.9
153.09097	0.7
157.10141	1.3
159.11642	1.1
160.05197	0.8
161.05971	1.3
161.09547	0.8
161.13275	1.2
163.07521	3.2
163.11165	1.3
165.09082	1.6
167.07051	12.5
171.06534	1.0
171.11670	0.8
173.05983	4.2
173.13211	1.0
175.07504	1.3
177.00723	1.3
181.04958	26.1
187.11253	0.9
189.12711	1.2
191.07054	8.8
203.06975	1.8
205.08673	1.9
207.13826	1.2
219.08206	0.8
225.14810	1.5
225.18529	0.8
233.08034	1.2
235.09642	2.1
249.02837	0.9
257.04465	0.9
267.09055	2.3
272.14520	0.7
272.64856	1.6
273.15457	1.4
276.07861	0.7
285.10028	4.0
298.12109	0.8
302.94794	0.7
309.11456	1.1
337.10721	1.0
351.12497	2.0
357.13309	13.1
369.13309	2.3
369.20361	0.8
387.14450	42.3
387.25128	1.4
388.14865	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	387.1441
Annotation	3,5,7,4'-Tetrahydroxy-3'-methoxy-8-prenylflavanone
Peak:m/z	Relative Intensity
53.03955	0.2
55.01860	0.5
55.05499	0.7
56.96569	0.3
57.03439	0.3
61.37170	0.1
65.03938	1.0
66.04713	0.4
67.05500	1.5
69.03420	0.5
69.07066	1.0
70.06580	0.6
71.05001	0.2
71.06930	0.2
77.03962	0.1
79.05495	1.8
81.03434	0.2
81.07053	1.9
82.04202	0.3
83.04992	0.2
83.08635	0.2
85.02917	1.0
85.06542	0.3
86.06050	0.5
86.09211	0.2
86.09708	3.0
87.09568	0.2
87.10036	1.3
88.10350	0.1
91.05483	1.4
93.03364	0.2
93.07047	1.1
94.04180	2.4
95.04967	0.9
95.08620	1.4
97.02914	0.3
97.06522	1.2
99.04421	0.3
99.08090	0.2
103.05467	0.9
105.03374	0.2
105.07051	1.0
107.04949	1.3
107.08611	1.1
108.02106	0.3
109.02920	0.2
109.06519	0.4
109.10182	0.8
110.03654	0.3
111.04435	0.5
111.08064	0.2
115.05462	1.7
116.07096	0.6
117.06983	1.6
118.04132	0.2
118.07568	0.2
119.08575	0.6
121.10149	0.6
122.03654	7.2
123.04446	0.7
123.08076	0.2
123.11689	0.4
124.05209	0.3
125.05994	0.7
125.09653	0.2
127.05539	0.2
129.07004	0.3
131.04909	1.0
131.08598	0.4
132.05739	0.2
133.06494	0.3
133.10120	0.5
135.08080	0.3
135.11700	0.4
137.05980	100.0
138.03128	0.3
138.06316	1.5
139.03902	0.2
142.02586	0.4
143.04933	2.7
144.05597	0.2
145.06474	2.7
145.10144	0.4
146.03671	0.2
147.04431	0.3
147.08037	0.4
147.11713	0.5
148.05202	0.4
149.05962	0.2
149.09625	0.3
151.03926	4.0
151.05005	0.3
151.07523	0.2
151.11250	0.2
152.04678	0.2
153.05444	0.4
155.06065	0.5
155.08534	0.2
157.10239	0.2
159.07970	0.2
160.05167	0.4
161.05974	0.6
161.09659	0.3
161.13271	0.3
163.07549	0.7
163.11212	0.2
165.09169	0.2
165.12793	0.3
167.07048	10.1
168.07497	0.2
171.04416	0.3
171.06544	1.1
171.11652	0.2
173.05988	3.1
175.07565	0.9
177.05450	0.3
181.04964	16.1
182.05380	0.2
187.07495	0.2
187.11087	0.2
189.12703	0.2
191.07028	2.3
203.06998	1.2
205.08582	2.0
207.13773	0.3
233.08139	0.8
235.09662	1.4
247.07716	0.2
252.83626	0.2
262.54694	0.2
295.09766	0.3
297.10938	0.2
307.09717	0.2
309.11234	0.2
333.24185	0.2
342.10889	0.2
351.12335	0.3
351.25427	0.3
357.13333	11.7
358.13681	0.4
369.13309	0.7
369.25146	0.2
374.01501	0.2
387.14404	35.1
388.14804	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	386.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	7.6
55.05507	1.3
56.96564	1.9
57.03437	13.9
59.05004	2.7
60.04524	11.7
61.02922	13.6
62.06089	1.8
66.12440	1.2
69.03431	32.9
69.07047	1.6
69.84559	6.3
70.06589	6.9
71.01351	3.5
71.04990	5.4
72.08151	5.0
73.02918	66.0
73.89407	1.1
76.34551	1.2
81.03421	9.2
81.07071	1.9
84.08150	2.7
85.02906	100.0
86.03265	2.8
86.09700	2.4
87.04470	5.4
91.03956	5.4
91.05518	1.4
93.07059	2.1
95.04983	2.3
95.68701	1.1
97.02894	54.9
98.97587	4.0
99.04469	6.0
103.03933	2.6
105.07047	3.3
107.04949	5.2
107.08593	2.1
109.02882	7.1
115.03934	23.1
116.07125	1.4
116.98623	3.1
117.07032	1.2
119.04951	3.0
119.08639	1.9
120.08118	2.3
121.06515	1.3
123.04427	1.6
123.08046	1.8
127.03922	35.6
131.04938	1.5
132.06538	1.3
133.04968	34.8
133.10121	2.0
134.99661	1.8
135.04427	2.2
136.07567	3.4
139.08632	2.9
145.04961	55.8
145.10135	1.8
146.99652	1.7
147.04414	4.5
149.08400	3.2
149.09628	2.2
150.07651	2.8
158.99707	1.4
160.07600	1.7
162.09129	1.9
163.03909	2.5
163.06041	24.4
163.07413	1.6
165.05457	1.9
177.00758	2.4
181.04922	2.0
187.94003	1.3
188.07051	2.4
191.08565	1.8
193.05045	1.6
205.12270	2.9
206.08156	3.5
206.12553	9.2
207.13788	4.6
217.07080	1.6
219.08061	1.7
221.09601	1.7
222.04559	2.7
223.06042	5.2
223.13332	3.9
224.09070	2.9
224.13721	7.0
225.07372	3.3
225.14731	1.7
236.10709	3.1
237.02852	3.3
237.13351	4.8
238.12413	1.8
240.10347	1.9
241.06975	6.8
253.13307	8.6
254.11951	1.9
259.08133	10.6
265.08624	1.8
277.09180	3.1
282.11258	3.3
283.11948	1.3
295.10291	6.4
295.14294	2.4
299.13904	8.4
301.12912	1.8
304.63382	1.3
341.14963	11.4
343.13702	3.5
345.14526	3.4
359.99170	1.2
365.05435	3.4
366.05414	1.6
386.14883	4.6
387.12415	8.4
387.16858	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	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	37.9
57.03434	14.5
57.07079	33.9
67.05511	13.8
69.07068	49.0
70.08253	9.6
71.08631	25.1
79.05494	5.8
81.07067	22.0
83.04951	4.0
83.08627	36.5
85.06559	5.0
85.10175	9.9
93.07060	12.9
95.08590	23.8
97.06536	5.7
97.10175	26.1
107.08585	13.8
109.10167	13.5
111.08078	7.2
111.11729	7.2
111.69350	3.0
112.23827	2.9
121.10136	9.1
123.11718	4.8
125.09631	6.7
135.11720	11.0
139.11185	5.1
149.13248	11.1
153.12756	4.2
163.14862	4.7
177.16447	3.4
218.78214	2.8
275.27271	5.8
293.28387	15.8
367.32156	14.7
385.29398	5.3
385.33163	100.0
386.33606	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	385.331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20641	1.4
53.03944	1.4
55.01854	2.5
55.05509	32.2
57.03433	11.1
57.07073	28.2
57.98277	1.6
62.07624	1.6
64.63465	1.5
67.05499	14.1
69.07066	42.4
71.04990	2.0
71.08621	15.1
72.04512	5.3
75.04474	3.3
76.81635	1.6
77.69923	1.5
79.05488	4.5
81.07052	19.3
83.04979	2.4
83.08617	29.8
85.06527	3.1
85.10172	7.4
91.05470	2.5
93.07055	11.1
95.08594	18.6
97.06538	9.1
97.10170	17.4
98.20718	3.1
99.11704	1.8
107.08579	7.7
109.10133	8.1
110.82542	1.5
111.08107	3.0
111.11713	4.8
119.08602	1.9
121.10123	8.6
122.19398	2.0
123.11704	3.7
125.09643	3.7
135.11681	8.0
137.13295	1.9
139.11172	4.7
149.13286	5.7
153.12766	4.6
163.11172	1.5
163.14844	3.4
172.25438	1.6
181.15825	1.6
191.17972	2.8
205.19548	2.0
209.19099	1.8
223.20644	2.6
236.52293	1.5
236.57509	1.8
258.59839	1.6
275.27448	4.5
293.28400	11.7
367.32053	13.2
385.33151	100.0
386.33496	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	385.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29805	1.8
51.24641	1.5
53.03938	4.2
55.01872	14.1
55.05511	67.4
56.96568	2.5
57.03442	22.9
57.07063	2.0
59.04990	3.7
65.03929	2.1
67.01859	3.5
67.05505	62.6
68.05836	2.2
69.03425	7.5
69.06783	2.0
69.07076	22.8
71.04987	4.9
71.08629	26.7
71.61205	3.1
73.02906	1.9
79.05064	3.3
79.05494	51.4
81.03430	14.6
81.07058	56.2
83.04993	21.0
83.08614	44.2
85.02908	3.7
85.06527	5.2
85.10149	1.9
87.04480	2.8
91.05486	26.2
93.06472	2.5
93.07048	37.3
95.04971	30.9
95.08613	26.6
97.02897	2.1
97.06535	18.9
97.10168	51.1
99.04443	5.0
99.08098	20.6
105.07031	20.6
107.04956	12.5
107.08599	39.4
109.06493	7.3
109.10159	20.7
111.04433	17.6
111.08067	11.3
112.04766	1.8
113.09629	2.0
115.05441	2.7
117.07027	13.3
118.07334	1.9
119.08568	15.4
121.06480	6.9
121.10143	19.4
123.04430	3.8
123.08040	6.4
123.11687	4.6
125.05998	2.8
125.08751	3.2
125.09625	48.8
126.26690	2.1
129.07005	6.8
131.08571	14.9
133.10141	11.8
135.08063	10.9
135.11723	13.5
137.09604	4.2
139.11162	2.7
142.12170	1.9
143.08534	5.1
143.10617	4.2
145.06477	5.0
145.10133	19.6
147.08020	4.6
147.11655	11.4
149.02339	2.2
149.09605	11.7
149.13228	2.4
151.11169	6.5
153.01834	30.3
153.09059	10.8
153.12715	8.6
154.02173	3.8
155.08545	2.8
157.10097	4.9
159.11697	5.2
161.06003	2.5
161.09607	5.2
163.03952	3.3
163.11186	37.4
165.12733	7.8
167.10606	4.4
169.10139	2.3
171.02904	16.6
171.10132	3.9
173.09593	5.3
173.13260	4.2
175.11212	3.4
177.12718	7.0
179.03426	5.2
181.12181	9.5
183.11589	2.4
189.11211	64.1
190.11636	3.1
191.10634	10.1
191.14302	2.8
193.04987	1.9
193.12265	10.5
195.13824	7.6
201.12813	2.7
205.12325	2.6
211.13307	4.2
215.07198	2.5
215.18243	5.9
223.13298	13.9
227.12759	22.4
229.19308	2.0
239.17879	3.2
239.63080	2.0
239.75795	2.1
247.20543	4.7
257.19028	3.3
258.04874	4.5
259.05188	8.2
259.09637	2.5
260.05731	5.0
262.39862	1.8
265.21738	2.4
267.05435	1.9
275.17300	2.9
275.20114	35.2
275.22940	1.5
287.05072	3.0
288.05243	6.0
289.06128	3.3
293.08237	2.0
293.21103	100.0
294.21365	3.7
296.09882	3.0
305.10355	5.1
311.22122	6.2
313.06107	4.6
341.10022	2.2
349.19705	2.5
349.23749	4.5
367.24936	21.4
367.50986	1.9
385.12180	42.6
385.16284	4.5
385.25467	53.4
386.12167	2.3
386.25702	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	385.2373
Annotation	Mutisicoumaranone D
Peak:m/z	Relative Intensity
54.59943	4.8
55.05505	11.2
59.05000	4.4
65.91109	4.1
67.05505	14.8
69.03415	8.0
69.07059	7.7
71.60027	5.8
79.05493	9.4
81.07063	20.3
83.08590	6.2
85.02905	4.6
85.06547	6.3
91.05486	22.4
93.07042	20.9
95.04967	10.1
95.08595	18.1
97.06541	7.5
97.10146	4.5
105.07039	25.6
105.65030	4.2
107.08601	31.2
109.06557	7.5
109.10161	10.1
111.08051	10.0
117.07040	9.0
119.08575	30.1
120.32578	4.3
121.06538	6.8
121.10140	12.7
123.08062	20.5
123.11726	4.8
129.07010	12.3
131.08568	28.5
133.10136	11.4
135.08083	17.1
135.11696	19.0
137.06018	18.3
143.08545	7.1
145.06520	5.2
145.10149	28.2
147.08072	7.9
147.11652	6.6
149.09624	10.7
151.07559	46.5
153.09061	7.4
157.10155	10.1
159.08055	13.5
159.11705	29.9
161.09569	7.5
163.11261	24.2
165.09081	8.4
169.10228	5.7
171.11717	6.9
173.13293	8.0
177.09129	9.6
177.12785	10.8
187.11179	18.3
189.12759	16.2
197.13289	5.3
199.11281	6.4
205.12259	36.0
207.13823	6.8
221.15466	11.2
229.12244	5.8
248.72871	4.6
286.19156	11.1
312.22107	4.8
318.38998	5.1
332.01859	5.0
367.22656	11.3
385.23621	100.0
386.24341	6.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63176	2.1
53.03961	2.5
55.01866	5.2
57.03430	2.7
60.04481	2.2
66.28477	2.3
69.03422	6.3
69.56828	14.6
70.06590	7.0
72.08100	2.5
79.05497	6.5
84.08134	9.1
84.84386	2.2
85.02898	12.1
85.08483	2.2
85.84706	2.0
91.05471	3.5
95.04987	2.5
97.02888	4.1
98.97597	3.6
103.05440	3.7
105.07037	55.1
109.02888	2.3
115.05473	13.0
116.98625	2.3
118.04166	2.9
123.04432	6.8
127.03902	4.6
131.04942	2.3
133.06499	49.1
136.06195	7.5
137.05991	2.4
140.04689	2.6
143.04865	2.1
143.05956	3.1
145.05003	2.9
145.06496	8.0
147.04404	2.2
151.03865	2.7
157.06450	2.8
159.08113	2.1
161.05988	100.0
162.06367	2.5
162.07817	3.8
163.08060	4.6
167.07071	21.1
171.71857	2.5
173.05971	3.6
175.07574	3.1
183.06610	5.2
186.03059	2.2
187.04018	2.3
189.05629	2.8
190.06277	2.1
191.06972	3.2
193.05647	3.8
193.08611	68.4
201.05499	3.1
203.07053	2.4
205.08652	2.8
207.06621	7.9
215.07190	2.5
219.06554	5.7
220.07301	2.4
221.08119	3.3
223.02400	7.9
223.08014	2.9
229.04915	2.7
231.06493	5.1
233.04506	5.7
233.08246	3.3
235.06274	2.9
237.02693	2.1
245.04335	2.4
245.80588	2.1
249.07542	2.2
251.09126	20.9
252.07420	12.4
253.07616	22.1
261.07611	12.0
263.09207	4.3
275.09161	5.5
289.06967	2.0
307.08148	5.8
380.92609	2.0
385.11395	10.1
385.25513	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	384.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05503	4.0
56.96544	1.2
67.05492	4.8
69.03426	4.3
69.07062	10.0
69.37359	11.0
70.06586	14.6
70.31218	1.0
71.04971	1.4
73.02905	0.9
79.05490	4.7
81.03399	2.8
81.07061	7.3
83.08606	2.0
85.02896	2.5
85.06551	1.6
86.09703	100.0
87.04459	1.6
87.10049	1.2
91.05466	3.9
93.07038	4.3
95.04970	3.2
95.08604	5.4
97.02882	2.2
97.06527	2.7
98.97603	2.0
99.04449	2.8
100.07615	1.1
100.11247	4.8
101.90772	1.1
103.03896	1.3
105.07024	3.1
107.04929	1.4
107.07325	4.2
107.08565	4.2
108.08926	1.5
109.02878	1.7
109.06503	1.8
109.10168	2.7
109.20718	1.1
116.07092	40.9
119.08572	3.2
120.08119	1.4
121.06422	1.4
121.10131	2.9
122.09666	26.8
123.04422	1.6
123.09992	1.2
125.09632	1.8
127.03914	1.5
128.10739	7.5
129.06969	1.2
131.08519	1.3
133.06438	1.6
133.10066	2.3
135.11688	1.8
137.05983	2.6
142.07851	1.0
145.10100	3.6
147.11665	1.5
150.09077	5.3
151.07597	1.5
153.01813	12.9
154.02174	4.0
156.10237	2.3
157.10130	2.0
162.08948	1.1
163.11188	1.9
166.07365	1.1
167.06975	1.3
172.11264	1.3
174.66312	1.1
181.12276	1.4
187.07605	2.6
188.07857	1.9
205.12228	1.4
218.11800	3.2
224.51707	1.0
229.15482	8.3
253.04932	1.3
258.04938	1.6
269.18591	4.3
277.08359	1.4
283.05344	2.3
311.05295	6.0
312.05862	18.2
338.16092	1.4
339.08618	1.4
340.08936	15.1
341.09406	1.4
356.17020	22.4
357.17343	2.1
384.11542	65.5
384.16473	24.1
385.11929	7.2
385.16986	2.9
385.23029	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	384.0927
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91880	0.5
56.96555	0.7
57.03422	1.0
60.04525	0.6
61.02909	1.2
67.05487	1.0
69.03423	3.4
70.06577	1.5
71.57998	1.2
72.08138	0.8
79.05484	1.2
81.03409	1.8
81.07029	1.5
84.08128	2.4
85.02900	10.3
87.04483	0.9
93.07044	0.9
95.08612	1.4
97.02891	3.0
98.97578	1.7
99.04443	0.8
109.02872	1.9
123.08052	1.8
127.03905	2.4
136.07588	0.8
145.04961	2.1
147.04420	1.3
147.66283	0.7
148.03819	4.3
148.04945	1.0
151.07555	1.3
165.05450	0.8
175.06320	1.0
176.03423	11.6
176.06898	0.8
176.95059	0.6
187.09715	1.6
194.04485	52.2
203.14230	1.6
204.06529	0.7
204.14671	1.9
216.97928	0.7
219.01624	0.7
222.03963	100.0
223.04347	1.1
237.02802	1.3
380.58130	0.7
384.09244	1.9
384.13550	5.9
384.21008	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.3
53.54462	1.6
53.57310	2.1
55.01855	3.8
55.05516	15.9
55.21632	1.8
57.03436	2.2
57.07080	13.1
59.04997	6.6
65.03941	2.0
67.05168	3.2
67.05507	43.4
69.03424	15.9
69.07076	13.1
71.04986	8.1
77.03913	2.3
77.88910	2.0
79.05499	30.8
81.03397	2.6
81.07058	41.9
83.04974	6.6
83.08614	5.8
85.06541	6.6
91.05479	40.4
93.07045	92.2
95.04961	27.3
95.08615	50.3
97.06551	13.0
98.21542	3.3
103.05495	2.7
105.07031	81.9
107.05029	3.4
107.08595	45.6
109.06527	20.9
109.10166	30.3
111.08090	12.7
112.13920	2.1
115.05457	3.3
116.20796	2.0
117.07001	10.6
119.08588	61.7
121.06521	14.5
121.10143	51.3
123.08070	31.8
123.11773	3.6
128.06213	7.4
129.07004	11.7
130.07787	4.1
131.08577	31.7
133.06494	9.6
133.10133	31.4
135.08070	22.7
135.11710	9.6
137.06004	2.7
137.09590	10.9
139.11194	2.2
141.06999	5.0
142.07776	17.0
143.08562	24.8
144.09375	4.3
145.06464	3.5
145.10112	40.8
145.11148	3.7
146.07303	2.1
147.08046	29.8
147.11702	17.1
149.09624	20.7
151.07558	39.9
153.09172	2.3
155.08557	8.4
156.09392	7.5
157.10127	48.3
158.10898	2.1
159.08073	6.1
159.11690	25.4
161.09615	26.5
161.13239	11.4
163.07561	2.4
163.11189	7.3
165.09117	39.6
169.10220	5.8
170.10918	3.9
171.11688	12.2
173.09612	10.7
173.11847	3.8
173.13148	12.4
175.11215	18.8
175.14841	10.5
177.09145	10.2
177.12764	2.3
181.10110	5.1
181.12187	2.4
182.10942	4.2
183.08101	2.3
183.11707	6.8
185.13281	18.9
187.11247	5.5
187.14853	6.7
189.12680	11.1
191.14317	3.1
193.10252	2.9
195.11702	6.7
197.13307	5.4
199.11227	6.2
199.14830	6.5
201.12717	10.3
201.16476	3.3
203.14337	28.4
205.15851	3.5
206.10979	2.3
207.13745	12.0
209.13425	4.4
209.15375	7.2
211.14795	4.7
211.31342	2.0
213.12869	3.9
213.16408	2.8
215.14389	4.8
216.15010	2.6
219.13817	5.0
221.13382	3.7
221.15361	100.0
222.15665	3.8
223.14804	3.4
225.12807	2.6
227.14226	4.8
227.17822	2.9
229.12444	2.5
231.13857	4.2
233.15431	6.5
234.16138	11.8
237.14818	3.6
243.13811	2.5
247.01955	2.3
271.17020	2.8
274.19312	3.3
281.19199	4.0
285.09891	2.5
285.93808	2.4
286.19324	4.7
287.20093	7.6
299.20169	5.8
303.19467	11.5
309.18527	3.9
347.23611	2.2
351.17361	1.9
365.24710	14.2
365.28656	3.7
383.25751	93.7
383.33316	11.1
384.26025	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	383.258
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03940	5.2
55.05521	17.2
57.07071	7.7
59.04990	5.3
67.05506	51.1
69.01151	3.0
69.03431	13.4
69.07063	13.9
71.04996	10.1
71.21439	7.1
79.05492	26.1
81.07056	39.4
83.04980	7.2
83.08633	5.1
85.06563	7.8
91.05477	37.4
93.07047	79.4
95.04957	25.0
95.08611	31.5
97.06536	14.0
105.07036	68.5
107.08575	40.0
109.06506	17.3
109.10149	63.7
111.08083	9.9
117.07025	8.2
119.08588	48.2
121.06509	12.8
121.10136	40.7
123.08075	27.0
123.11676	3.8
127.11160	5.0
129.06998	12.5
131.08574	27.2
133.06476	8.6
133.10103	28.5
135.08047	21.6
135.11703	6.7
137.09651	8.4
142.07803	16.2
143.08582	17.6
144.09380	3.6
145.10123	40.1
147.08061	14.7
147.11691	15.9
148.08836	5.8
149.09608	18.0
151.07564	33.8
155.10623	3.7
156.09389	8.1
157.10143	34.0
159.08070	7.8
159.11691	19.5
161.09625	20.3
161.13248	7.1
163.11215	11.4
165.09114	31.8
169.10143	7.4
170.10849	6.4
171.11691	6.9
173.09566	8.0
173.11830	6.3
173.13193	7.4
175.11176	19.8
175.14899	5.2
177.09091	7.3
181.12268	3.6
185.13295	14.6
185.25143	3.3
187.11174	5.7
187.14874	5.8
189.12784	6.6
191.14253	4.8
197.13307	9.7
201.12852	5.3
203.14282	21.8
207.13841	7.4
209.13463	6.0
209.15349	4.6
215.14389	11.9
221.13338	3.5
221.15344	71.2
222.15547	5.1
222.75723	3.9
227.14230	4.3
231.13683	3.8
233.15379	6.1
234.16092	6.3
239.86580	3.4
275.97061	3.5
286.19464	6.9
287.20126	10.1
299.20032	5.0
303.19714	5.1
309.18594	6.1
365.24680	11.9
383.11179	5.9
383.20532	7.9
383.25705	100.0
383.33310	7.8
384.26364	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	383.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	5.5
55.05505	22.7
57.07074	15.6
67.05168	7.8
67.05504	100.0
69.03399	13.4
69.07058	24.4
71.04997	8.1
71.60092	8.9
73.50179	5.2
79.05489	29.1
81.07056	48.7
83.04996	7.1
83.08617	6.8
91.05467	45.7
93.07051	84.3
95.04995	28.5
95.05496	5.3
95.08606	55.3
95.19048	5.7
97.06534	12.5
97.10169	7.3
100.75095	5.3
105.07030	84.0
107.08599	49.2
107.24475	5.1
109.06484	27.2
109.10168	88.7
111.08077	16.3
117.07018	11.2
119.08591	68.0
121.06497	12.8
121.10156	41.2
123.08099	26.4
128.06248	10.3
129.07039	7.4
131.08571	28.1
133.10121	28.7
135.08072	17.5
135.11688	11.0
137.09563	14.0
142.07739	18.9
143.08543	28.8
145.10136	43.5
147.08073	27.2
147.11673	21.8
149.09619	25.1
151.07512	25.8
153.01926	5.2
157.10179	31.4
159.08044	10.6
159.11690	22.6
161.09587	17.2
163.11229	12.5
165.09138	36.6
169.10117	6.9
170.10951	6.3
171.11711	20.7
173.09525	7.1
173.11714	15.8
173.13206	13.0
175.11177	20.5
175.14799	7.7
185.13278	19.4
187.22806	5.2
189.12704	9.4
195.11804	6.4
199.14902	9.2
201.12741	10.7
203.14305	33.9
207.13666	7.3
221.13351	8.6
221.15376	92.3
227.17882	7.7
234.16032	6.5
287.19846	7.7
303.19699	7.2
383.10910	11.8
383.20123	9.4
383.25601	86.7
383.33170	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	383.2583
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03934	4.2
55.01852	2.3
55.05513	18.0
57.03435	2.8
57.07071	9.7
59.05000	4.6
62.87699	1.8
65.03928	4.5
67.05508	37.8
67.05853	1.5
69.03438	12.7
69.07061	9.4
70.11816	9.4
70.76950	1.9
71.04989	4.3
79.05499	21.1
81.03417	3.1
81.07065	33.5
83.04989	6.6
83.08620	6.2
85.06554	7.9
91.05482	40.4
93.07049	78.0
93.07633	4.5
95.04971	25.1
95.08610	30.5
96.66905	2.1
97.06538	15.9
105.07037	58.0
107.08603	38.6
109.06541	22.2
109.10158	28.8
111.08083	8.6
115.05439	2.4
117.07030	11.5
119.04940	1.9
119.08591	50.4
121.06493	13.5
121.10155	41.8
121.34518	2.2
123.08096	19.0
123.11716	2.9
125.09674	2.7
128.06232	6.7
129.07030	13.5
130.07791	5.9
131.08588	28.4
133.06499	7.8
133.07445	2.0
133.10144	31.7
135.08063	18.6
135.11681	6.3
137.09607	10.0
141.06992	2.5
142.07765	14.9
143.08580	22.6
144.09323	5.8
145.06491	2.5
145.10143	40.2
147.08064	21.4
147.11699	13.6
148.08936	3.0
149.09642	19.4
151.05702	2.0
151.07536	29.5
153.09097	3.2
154.40662	2.4
155.08569	5.6
155.10754	3.8
156.09340	5.8
157.10136	36.2
159.08073	6.6
159.11687	15.7
160.08859	2.2
161.09605	15.6
161.13246	6.6
163.11198	8.1
165.09113	27.7
167.08572	4.0
169.10153	8.8
170.10904	5.7
171.11661	12.0
173.09679	9.8
173.11723	4.7
173.13264	5.5
175.11217	18.6
175.14835	6.3
177.09111	10.0
177.12805	2.7
179.08525	3.1
181.10068	3.9
181.12285	4.1
181.91690	2.0
182.10931	2.3
183.11705	5.7
185.09674	2.5
185.13281	16.0
187.11256	4.0
187.14891	4.6
189.11310	2.3
189.12814	9.6
191.14343	3.6
194.11046	2.5
197.13324	6.6
199.11261	4.0
199.14857	3.3
201.09210	2.4
201.12758	7.7
203.14299	24.5
207.12144	2.2
207.13747	11.8
209.13367	6.7
209.15332	4.9
211.11293	2.9
213.01599	2.1
213.16322	2.8
215.14311	8.2
219.13829	7.2
221.15378	76.8
223.14914	3.0
225.12775	3.0
225.16426	3.0
227.14384	7.4
233.15445	5.3
234.16187	12.7
237.14856	2.3
241.15855	3.4
243.13905	3.1
263.18057	2.4
265.19687	2.2
271.16968	2.5
281.19141	3.7
283.20404	2.2
286.19406	3.5
287.20175	11.8
299.20151	5.8
301.92722	2.2
303.19592	7.1
365.24677	14.6
383.25824	100.0
383.33118	4.6
384.26172	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	383.258
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91189	2.3
51.47558	2.2
53.03937	4.5
55.01873	2.4
55.05515	14.9
57.07071	8.4
59.04993	5.3
65.03934	3.5
67.05161	3.9
67.05503	36.5
69.03416	14.9
69.07063	9.0
69.34578	6.9
69.34996	15.2
71.04995	7.5
71.62118	2.1
75.18416	2.0
79.05492	31.1
81.07059	34.7
83.04974	7.9
83.08595	3.7
85.06554	6.8
88.20945	2.0
90.15674	2.1
91.05486	40.7
93.07042	97.1
94.07389	3.0
95.04980	29.8
95.08605	41.8
97.06522	12.7
103.05491	2.7
105.07030	80.5
107.04945	2.5
107.08593	43.8
109.06499	22.5
109.10154	27.2
111.08080	9.2
111.29800	2.3
115.05439	2.7
116.06231	3.1
117.06993	11.9
119.08572	61.0
120.09394	3.3
121.06505	15.5
121.10148	40.6
123.08051	31.9
123.11720	3.0
123.98958	2.2
125.09652	2.2
128.06255	6.3
129.06970	13.4
130.07793	5.4
131.08559	30.9
133.06500	7.9
133.10124	32.9
135.08054	25.2
135.11713	6.9
137.06070	2.7
137.09604	11.6
141.06973	4.1
142.07784	18.5
143.08565	27.4
144.09357	5.4
145.10135	36.7
147.08047	23.2
147.11661	14.9
148.08856	3.0
149.09612	30.8
151.07542	32.2
153.09067	2.9
155.08473	5.5
156.09332	8.2
157.10129	37.5
158.10809	2.5
159.08063	10.4
159.11717	19.4
160.08820	2.8
161.09639	19.8
161.13266	9.2
163.11197	9.2
165.07040	2.8
165.09105	39.8
169.10106	5.5
170.10895	6.3
171.11754	7.3
173.09659	9.3
173.11830	2.3
173.13266	8.7
175.11209	17.5
175.14821	6.5
177.09123	12.0
177.12701	2.4
178.09885	3.7
179.08600	2.7
180.09357	3.1
181.10141	3.6
182.10921	2.7
183.11731	7.0
185.13246	15.3
187.11214	6.3
189.12708	12.3
191.10635	2.5
191.14272	3.0
193.10251	2.9
195.11621	3.2
197.13313	7.8
199.11142	4.2
201.12749	9.9
203.14297	26.2
207.11961	3.8
207.13739	13.6
209.13385	4.8
209.15417	6.9
211.11215	2.8
211.14746	4.8
213.12759	7.7
215.14333	6.3
216.15077	3.3
219.13846	6.1
221.15358	93.8
223.14723	3.4
227.14278	6.1
229.73306	2.3
231.13757	4.3
231.86108	2.0
233.15405	7.5
234.16132	15.6
243.13718	2.2
281.18881	2.9
286.19241	3.9
287.20117	7.8
299.20114	4.2
303.19583	8.2
327.19708	2.8
347.23575	5.1
365.24646	13.2
383.11578	4.6
383.25784	100.0
384.25958	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98275	0.4
53.03931	0.7
55.01874	2.2
55.05268	0.6
55.05511	7.9
56.96546	0.5
57.03435	3.3
59.04954	0.4
61.02916	0.6
65.03931	0.4
67.05169	0.6
67.05506	9.3
67.05867	0.5
69.03435	2.4
69.07065	5.6
70.73669	1.1
71.04964	1.3
73.02903	0.3
79.05494	8.6
81.03417	2.8
81.07056	16.7
83.04977	4.0
83.08621	4.6
85.02911	1.9
85.06522	0.6
86.09722	0.4
91.05472	4.7
91.42561	0.3
93.07047	7.3
95.04968	3.1
95.08601	7.1
97.02890	0.8
97.06531	3.4
97.10170	7.6
99.04446	1.0
99.08088	1.3
104.82623	0.4
105.07028	5.2
107.04936	1.4
107.08593	7.0
109.02876	0.6
109.06482	1.7
109.10154	4.5
111.04443	3.4
111.08074	2.3
113.05991	0.4
115.05402	0.4
117.07016	1.9
119.04885	0.5
119.08578	5.6
121.06506	1.3
121.10152	4.5
123.08066	6.9
123.11692	1.0
125.05972	0.4
125.09628	6.8
127.03918	0.6
128.32304	0.3
129.07004	1.4
131.08578	2.8
133.06480	0.7
133.10133	2.3
135.04402	1.2
135.08037	1.3
135.11691	2.4
137.05920	0.5
137.09636	1.4
139.11177	0.6
142.07764	0.4
143.08557	1.3
143.10603	0.5
145.10127	3.5
147.08037	1.5
147.11649	2.2
149.09595	1.3
149.13284	1.0
150.09108	0.4
151.11185	0.6
153.01843	3.8
153.09117	0.8
153.12726	1.5
155.08504	0.7
157.10072	1.9
159.08012	0.6
159.11705	1.6
161.09622	1.2
161.13220	0.8
163.11183	3.9
165.09148	1.6
165.12753	0.5
169.10130	0.3
171.02969	0.5
171.11676	0.9
173.09613	0.9
173.11815	0.6
173.13179	0.5
175.11180	1.4
177.08994	0.5
177.12762	0.7
181.01277	0.4
181.12180	1.9
185.09612	0.4
185.13255	0.5
187.11183	0.3
189.11218	7.7
189.12784	0.3
191.10684	1.9
193.12276	1.2
193.87650	0.3
199.14796	0.4
201.12852	0.4
203.03406	1.9
205.12265	0.4
207.13802	0.4
211.11212	0.5
211.13155	0.5
219.51276	0.4
223.13344	0.8
227.12756	2.5
229.04974	2.0
233.18976	0.4
241.05057	0.6
242.05737	0.8
243.13765	0.5
245.13901	0.5
245.19080	1.0
250.38417	0.4
255.17628	0.7
257.04459	28.7
258.05179	10.1
259.05722	0.9
260.09140	0.6
263.20074	0.5
269.04254	0.5
270.05304	0.5
273.18521	4.5
285.03897	0.6
285.10336	0.4
286.04691	11.7
287.05484	23.9
288.05811	1.7
291.19550	10.2
291.22830	0.6
297.07507	0.6
298.88968	0.4
309.20605	0.6
311.05472	1.4
313.07101	0.8
325.06931	0.5
329.21124	0.4
339.08801	0.8
347.22275	1.0
355.11819	1.1
365.23267	2.4
383.11246	100.0
383.24460	8.1
384.11575	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	383.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23024	1.3
53.03937	2.8
55.01864	6.7
55.05516	8.8
57.03436	7.5
57.07064	3.0
59.04997	2.1
61.02915	5.3
67.05505	19.1
69.03431	17.4
69.07066	11.1
69.64282	3.7
69.64693	6.8
71.01350	2.8
71.04634	2.3
71.04990	21.4
73.02906	4.9
75.83180	1.1
79.05498	11.9
80.16101	1.2
81.03432	7.6
81.07056	40.3
83.04969	3.9
83.08618	5.3
85.02898	19.5
85.06515	2.1
87.04426	1.5
91.05478	13.7
93.07044	29.9
95.04952	9.3
95.08047	2.5
95.08604	31.1
95.09164	2.5
97.02876	7.5
97.06525	5.6
97.10175	2.9
99.04451	3.9
99.08090	3.8
103.03935	4.3
105.07027	28.8
107.04972	2.8
107.08590	30.2
109.06535	6.8
109.10159	25.7
109.93572	1.3
111.04446	5.6
111.08067	3.5
115.03930	4.9
117.06307	1.5
117.07007	7.2
117.07734	1.4
119.08578	37.5
121.06490	4.7
121.10133	23.6
123.04456	1.6
123.08062	7.4
123.11702	16.4
125.05977	1.6
125.09631	5.4
127.03902	2.9
127.11187	12.6
128.06194	1.2
129.05470	3.4
129.07004	3.8
131.08559	15.5
133.04973	4.5
133.06497	3.0
133.10118	21.2
135.08043	4.7
135.11696	19.9
137.05969	2.6
137.09636	8.5
137.13191	1.3
137.53543	1.4
139.07547	1.9
139.11208	2.2
141.06955	1.6
142.07706	3.5
143.08549	11.1
144.09326	3.0
145.04964	2.5
145.06494	2.9
145.10114	20.6
147.08052	4.5
147.11681	19.9
149.13242	8.5
150.10184	1.2
151.07503	1.6
151.11197	4.8
153.01811	7.1
153.12759	4.7
155.07010	3.0
155.08533	3.6
156.09407	1.7
157.10126	16.7
159.08076	3.6
159.11687	27.3
161.09636	4.3
161.13223	11.4
163.11183	3.9
163.14821	2.7
165.09116	1.7
165.12779	2.8
167.08546	1.6
168.01389	1.2
169.10143	5.3
171.08128	1.5
171.11644	9.8
173.09630	1.8
173.13239	7.7
175.11143	4.5
175.14845	5.0
177.09117	2.7
177.12755	3.9
177.16444	2.5
179.08539	1.4
179.10706	1.8
181.10173	2.0
183.11699	6.0
185.13289	5.7
185.30899	1.4
187.11174	3.1
187.14824	4.6
189.12772	4.8
189.16371	6.0
191.14275	3.0
191.18042	1.6
192.09315	2.0
193.12206	2.3
193.15875	1.7
195.11707	2.9
197.13312	3.2
199.11179	2.4
199.14836	3.7
201.12726	6.0
201.16394	5.6
203.03377	2.7
203.17995	12.6
207.11751	2.7
207.17485	1.8
209.13336	1.7
213.12872	2.6
213.16423	3.8
215.14375	3.4
215.17896	4.2
217.10617	3.0
217.15955	1.7
219.17429	4.2
221.18915	6.4
225.12813	3.2
227.17995	2.4
229.04962	3.2
229.15910	2.0
231.17499	5.2
233.19000	12.3
241.15842	2.3
243.13849	4.6
243.17503	4.0
245.19035	7.2
257.04462	28.1
257.18964	2.3
258.05112	7.7
261.14932	3.1
261.18408	2.3
263.20074	4.6
269.18918	2.4
275.20117	2.9
277.17819	1.4
279.15967	1.7
286.04703	6.7
287.05524	12.4
287.20038	3.8
293.18994	1.5
299.05634	2.3
299.20062	3.2
305.21268	1.8
311.05447	7.0
311.20038	5.3
317.21167	2.8
325.07306	1.4
329.21237	9.6
339.08762	2.9
347.22128	9.4
355.11810	2.6
365.23166	13.2
383.11258	100.0
383.24323	17.9
384.06992	1.9
384.11581	14.1
402.46222	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	383.243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26637	0.2
53.03926	0.5
55.01866	1.2
55.05511	4.3
56.13711	0.2
56.96566	0.3
57.03435	1.6
57.07073	0.3
57.18274	0.2
59.04970	0.4
61.02922	0.2
65.03931	0.4
67.01842	0.3
67.05505	8.7
69.03440	1.1
69.07069	2.7
70.07441	0.2
70.54665	0.7
71.04982	0.5
72.93806	0.3
79.05492	5.5
81.03424	2.1
81.07062	8.4
83.04978	1.6
83.08621	2.4
85.02883	0.9
85.06525	0.5
86.09658	0.2
89.48180	0.2
91.05475	2.9
93.07047	3.9
95.04971	1.5
95.08611	3.4
97.02857	0.6
97.06538	1.7
97.10176	3.5
98.97478	0.2
99.04420	0.3
99.08097	0.4
105.07031	2.6
107.04960	1.2
107.08604	3.6
109.02856	0.3
109.06537	1.1
109.10154	5.0
111.04443	1.6
111.08076	1.2
113.90162	0.2
117.07027	1.4
119.08569	2.0
121.06494	0.6
121.10152	2.0
123.04459	0.2
123.08070	3.2
123.11667	0.3
125.09628	3.2
129.05479	0.3
129.07013	0.6
131.08569	0.9
133.06480	0.4
133.10139	1.2
135.04393	0.5
135.08047	1.0
135.11691	1.0
137.09590	0.8
139.11134	0.3
143.08537	0.5
143.10605	0.2
145.06477	0.3
145.10095	1.7
147.08022	0.7
147.11656	0.9
149.09613	0.8
149.13293	0.5
151.11186	0.3
153.01830	5.1
153.09056	0.7
153.12733	0.9
155.10625	0.2
157.10039	0.5
159.11664	0.5
161.09630	0.5
161.13213	0.3
163.11203	1.6
165.09148	0.6
171.02879	0.6
171.07922	0.2
171.10251	0.3
171.11557	0.4
173.09692	0.4
173.11847	1.5
173.13177	0.5
175.11168	0.7
175.14861	0.3
179.03424	0.3
179.10776	0.3
181.12193	1.1
187.07655	0.4
189.11215	4.3
191.10732	1.0
193.12286	1.0
195.11600	0.3
203.03415	1.8
203.17976	0.6
211.13176	0.3
223.13368	0.5
227.12796	1.8
227.17778	0.3
229.05006	2.5
229.07317	0.5
241.05026	0.3
242.05730	0.8
245.04593	0.3
245.18947	0.4
247.08530	0.3
255.17566	0.4
257.04462	28.6
258.05212	13.8
259.05884	1.0
267.06696	1.0
269.04550	0.3
273.18503	1.9
282.05054	0.3
285.03946	0.5
285.07834	0.7
286.04730	19.5
287.05487	25.4
288.05823	2.0
291.19547	5.8
291.22867	0.4
297.07471	0.3
309.20508	0.5
311.05432	2.2
313.07077	0.9
314.07056	0.2
325.06848	0.4
339.08621	0.7
347.22290	0.3
355.11832	0.4
365.13928	0.7
365.23148	1.0
383.11252	100.0
383.24475	5.5
384.11597	11.3
384.16617	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	383.1121
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
53.03923	0.1
55.01855	0.2
55.05488	0.4
56.96558	0.2
57.03422	0.2
59.53357	0.1
67.01848	0.4
67.05502	1.9
68.99795	0.2
69.03406	0.2
69.07050	0.6
69.52003	0.3
69.52413	0.8
71.04961	0.1
79.05493	0.8
81.03430	0.1
81.07054	1.0
83.04945	0.2
83.08603	0.3
85.02894	0.1
91.05453	0.4
93.07027	0.4
95.04935	0.3
95.08614	0.6
97.02852	0.2
97.06538	1.9
97.10135	0.2
98.97594	0.2
104.06001	0.1
105.06992	0.3
107.05024	0.2
107.08575	0.5
109.06489	0.2
109.10160	1.4
111.04350	0.1
111.08071	0.1
117.06995	0.2
119.08595	0.4
121.06477	0.2
121.10121	0.3
127.03909	0.1
131.08507	0.3
133.10091	0.2
135.04420	0.9
135.08015	0.3
135.11719	0.1
137.02380	0.3
137.13251	0.1
141.07062	0.2
143.08583	0.2
145.10025	0.2
147.11711	0.2
149.09552	0.1
153.01830	6.3
159.07764	0.1
161.02371	0.4
161.06010	0.2
165.09143	0.6
171.02879	0.7
171.11766	0.1
173.11751	0.5
179.03435	0.2
187.07608	0.6
189.05469	0.2
203.03369	1.9
213.05405	0.2
229.04951	2.4
239.49422	0.2
241.04936	0.5
242.05731	0.5
243.20984	0.1
257.04449	28.7
258.05209	12.1
259.06000	0.8
259.08282	0.2
269.04623	0.7
269.07126	0.1
270.05319	0.2
271.05997	0.2
280.43130	0.1
282.05179	0.5
283.05978	0.3
285.03864	0.6
286.04724	16.3
287.05493	36.3
288.05820	1.5
288.08829	0.2
295.06174	0.2
297.04263	0.2
297.07541	0.4
299.05493	0.2
310.04727	0.4
311.05502	4.9
311.08539	0.2
312.05954	0.2
313.07040	2.1
318.08746	0.2
323.05569	0.2
325.07016	0.3
333.11188	0.3
337.10730	0.2
339.04691	0.3
339.08640	3.5
339.12683	0.2
340.08905	0.3
355.11746	1.0
365.13852	0.2
383.11237	100.0
384.11572	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	383.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	2.8
56.05030	1.0
56.96575	1.0
57.03440	9.9
59.05002	1.5
61.02908	3.6
67.05487	1.7
69.03425	5.1
69.07060	1.1
70.06593	7.8
70.95451	2.0
70.95793	1.0
71.01349	1.4
71.04995	27.5
72.08146	1.3
73.02915	4.9
73.05170	1.0
75.04482	9.6
81.03403	2.3
81.07050	2.0
83.04990	7.3
84.08142	1.2
85.02905	100.0
86.03239	1.2
86.06043	0.9
86.09692	2.0
87.04465	1.6
91.03957	1.4
91.05482	2.5
93.07022	2.2
95.08620	1.4
97.02888	6.9
97.10233	0.8
98.97578	0.9
99.04435	2.2
101.06004	2.3
103.03939	1.1
105.06991	1.0
107.04937	1.0
107.08561	1.3
109.02863	2.8
109.10203	1.4
111.04446	3.3
116.07046	1.6
116.69186	1.0
116.98620	1.5
121.10163	1.1
123.04411	1.3
123.08035	1.0
123.11683	0.9
127.03918	8.6
127.08749	2.1
129.05484	24.9
129.10272	0.9
133.10153	1.4
134.05963	1.3
135.08092	1.0
137.05998	0.9
138.34882	0.8
145.04977	9.7
147.06520	15.7
150.07739	3.0
151.11127	1.3
155.08153	1.9
163.06021	4.2
164.07050	3.3
165.07532	0.9
181.04904	2.3
185.11855	1.2
219.01781	1.1
221.15466	1.1
229.11864	2.0
238.88594	0.9
255.08667	1.6
273.09656	1.0
309.11853	1.7
383.16205	3.6
384.12479	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	383.1124
Annotation	Rikuzenol
Peak:m/z	Relative Intensity
55.01847	0.4
55.05509	2.6
57.03430	0.4
59.58529	0.3
65.03915	0.4
67.01868	0.3
67.05505	9.2
68.56747	0.3
68.99799	0.4
69.03424	0.4
69.07056	1.1
71.04984	0.6
71.59890	0.6
76.32067	0.3
77.03906	0.3
79.05479	1.3
80.64252	0.3
81.03426	0.7
81.07062	2.7
83.04987	0.7
83.08604	0.7
91.05478	1.5
92.13513	0.3
93.07027	1.4
95.04967	0.8
95.08602	1.5
97.10142	0.3
105.07012	1.0
107.04957	0.4
107.08566	1.1
109.10157	6.8
111.08037	0.6
115.05394	0.3
115.07440	0.4
117.06958	0.4
119.08555	1.5
121.10109	0.5
123.11680	0.3
125.09617	0.5
129.07011	0.7
131.08562	0.9
133.10110	0.8
135.11673	0.7
137.09598	0.8
139.03879	1.0
141.06982	0.5
143.08554	0.8
145.06485	0.4
145.10138	0.9
147.04396	0.5
147.08051	0.3
151.03893	0.3
153.01825	22.4
155.08545	0.7
161.02380	0.4
161.05974	0.7
163.11160	0.3
167.07063	0.5
167.08504	0.3
171.08038	0.6
173.05948	0.4
173.11751	2.9
185.09616	0.4
187.07552	2.2
189.05498	1.5
197.06081	0.3
203.03404	0.8
213.09157	0.4
229.05003	1.3
237.05505	0.5
241.05038	0.5
253.04932	0.9
257.04456	17.7
258.05215	9.6
258.07843	0.7
265.04904	1.8
269.04208	0.5
273.18353	0.4
277.16092	0.4
281.04532	0.9
282.05249	2.5
283.05960	0.9
285.04013	0.8
286.04712	17.7
287.05460	6.8
288.05963	0.4
291.19467	0.5
293.04407	0.5
295.06058	1.4
297.03897	1.5
299.05472	1.1
309.03876	0.6
310.04742	0.4
311.05496	19.4
313.03503	0.6
323.05508	3.4
327.04987	1.3
339.08655	5.7
347.08810	0.3
353.10184	0.4
355.11716	3.5
365.10364	0.5
383.11243	100.0
383.24088	4.4
384.11523	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	382.9987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71297	0.3
51.48864	0.2
54.98629	0.4
56.96296	0.4
56.96567	8.5
60.87072	0.2
70.02547	1.3
71.95263	1.7
81.07049	1.2
95.08599	0.3
97.02881	0.3
98.97579	43.7
99.97909	0.4
116.98618	56.4
117.98991	0.4
119.01908	0.8
121.02867	0.3
134.01315	0.4
134.99655	55.9
135.99934	0.3
137.02921	0.4
140.00182	1.9
147.04352	0.7
147.80745	0.2
152.34798	0.3
153.00711	12.7
153.43954	0.3
158.01251	3.2
174.97633	0.4
176.02359	0.6
177.00940	1.5
178.01085	0.6
179.00787	0.4
181.97339	0.3
192.98727	1.5
198.97670	0.4
216.98701	1.5
217.98796	0.6
219.01996	2.2
220.02176	0.8
221.01855	0.7
234.99799	3.8
235.99921	1.4
236.99593	0.5
240.98650	5.0
241.98935	0.3
247.04543	0.4
251.97968	0.4
252.97365	0.3
253.01134	0.4
256.96646	1.1
258.01166	0.3
258.99771	44.4
260.00018	2.6
260.04727	0.3
260.99918	1.7
261.03070	3.7
262.03214	1.2
263.02896	1.0
265.05743	0.4
266.98938	0.6
272.94632	0.4
274.94717	0.4
274.97656	1.9
275.97910	1.0
277.00824	100.0
278.01025	6.6
279.00934	2.9
282.01392	3.5
282.99997	2.5
284.00049	1.2
284.99890	2.7
290.95502	0.5
292.98502	0.5
293.98846	0.4
295.01859	1.9
298.97665	0.6
299.97931	1.1
300.02393	6.7
300.97617	0.5
301.00928	5.2
302.01132	3.2
303.00909	8.5
304.01025	0.9
316.98856	1.5
317.98920	2.7
318.95120	0.4
318.98630	1.0
319.02048	0.5
326.02356	0.4
341.01825	0.4
341.98935	0.5
358.99789	0.4
359.02533	0.3
359.99863	2.6
360.99866	0.4
377.02756	0.6
378.01099	0.4
380.45117	0.5
380.95114	0.4
382.96268	0.8
383.00125	1.0
396.94571	0.6
398.98184	0.4
400.97446	6.0
401.01129	5.5
401.97284	0.7
402.01904	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	6.8
55.16595	4.8
56.96567	70.7
57.03428	17.4
59.04986	8.1
61.02926	13.3
64.02587	4.7
64.80382	4.4
69.03433	41.0
70.06586	7.2
70.31316	8.5
70.31716	12.8
71.04985	9.9
72.08154	5.5
73.02914	14.4
79.30821	5.6
81.03404	15.9
84.04513	6.4
84.08144	7.8
84.96040	8.2
85.02905	79.9
85.06522	6.3
86.09708	100.0
91.03959	5.3
97.02908	42.8
98.97591	45.8
109.02869	14.1
110.07162	6.2
110.97589	7.0
116.98627	51.9
117.93587	5.3
119.01867	8.8
127.03937	21.8
128.98596	19.2
131.00134	7.3
131.01889	6.3
132.10207	77.1
133.01704	10.5
133.03488	6.2
134.06053	7.1
134.99660	36.6
135.04433	6.7
136.07611	8.9
139.03920	7.6
143.00192	7.1
145.01741	4.9
145.04977	15.9
146.99673	36.6
149.01216	11.0
149.02875	6.3
151.02750	5.8
154.03940	9.6
156.13780	14.0
158.99677	12.5
161.01250	10.9
162.05501	9.5
163.03929	10.5
165.00710	10.0
170.05154	8.4
170.99689	5.5
172.95268	6.0
173.02962	9.4
174.14929	25.9
174.99126	12.0
177.00714	23.5
177.04297	9.5
179.03442	10.8
181.04958	6.9
183.01920	6.1
189.00710	8.8
190.98570	8.6
193.00218	12.8
195.05289	10.1
201.00653	6.4
204.06566	13.4
207.01721	5.6
208.01421	10.0
219.01729	20.4
219.05273	5.8
220.06024	6.1
220.11966	6.3
220.15443	66.0
221.11354	5.5
226.02524	14.8
231.05281	6.6
234.05632	7.4
237.02811	41.9
238.03276	7.9
242.82079	5.0
244.03316	6.8
245.05112	6.2
250.02448	24.0
255.03775	6.2
264.06628	5.0
268.03613	21.9
279.04330	13.4
279.54828	5.2
301.09039	6.5
322.08896	14.1
323.09848	5.8
339.09732	9.1
340.09924	12.7
347.17126	6.2
379.08841	5.1
382.04837	4.8
382.11972	8.0
382.20691	32.3
383.07053	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	382.171
Annotation	Zeatin 9-glucoside
Peak:m/z	Relative Intensity
56.96576	3.4
57.07054	3.2
60.04510	2.3
61.02916	4.6
67.05501	2.6
68.98929	2.2
69.03413	6.0
69.07072	3.9
70.06592	2.4
71.05021	3.0
71.59576	3.7
72.04503	8.4
73.02898	3.9
74.06106	2.3
81.03421	3.8
83.04964	2.0
85.02904	17.9
85.06551	3.2
86.09722	2.4
88.07622	6.7
90.05559	54.8
95.04987	3.9
97.02881	6.1
98.02387	3.7
98.97569	5.3
103.07582	3.0
109.00133	2.2
116.03455	7.3
116.98604	4.8
120.08112	7.7
123.04347	2.8
124.07581	9.6
127.03925	3.6
142.08647	5.4
145.04977	5.3
147.04434	3.1
160.99484	2.4
177.00673	3.6
184.09711	8.2
195.39476	2.3
202.10707	16.8
207.11412	3.3
218.06233	2.4
220.11819	100.0
225.07457	2.5
237.02763	4.1
291.75793	2.4
305.05472	4.2
383.09464	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	382.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.2
55.01875	5.1
56.05034	3.8
56.96554	3.2
57.03423	2.1
60.04521	9.8
61.02928	2.8
67.05502	3.1
69.03429	9.0
69.07070	4.1
70.06599	4.8
71.04993	3.1
71.58044	3.5
72.08130	2.1
73.02920	2.8
74.06071	2.3
78.59393	1.5
79.05488	6.7
81.03420	6.2
81.07060	31.4
83.04981	14.0
84.08150	2.5
85.02899	24.1
86.09694	2.7
87.00834	3.2
91.05484	4.8
93.07042	19.1
95.04974	3.9
95.08628	5.1
97.02867	10.5
97.06526	6.0
98.97602	3.4
99.04473	3.4
99.08095	14.8
105.07048	2.1
107.04967	7.2
107.08617	3.7
109.02899	2.6
109.06544	2.5
111.08069	2.7
116.98654	2.6
119.04983	4.2
120.08148	3.5
121.06504	38.6
121.10143	4.3
123.08088	3.2
125.06004	9.4
125.09619	2.9
127.03907	6.0
127.77129	1.8
129.49895	1.6
134.99620	2.2
136.06184	43.6
136.07620	3.0
139.07539	6.4
139.11198	3.0
143.07027	24.2
144.15335	1.9
145.04984	4.6
146.97366	2.1
147.04398	14.6
148.04816	3.5
149.05971	30.7
167.07021	15.9
167.10666	4.7
177.00714	2.1
180.08682	3.9
185.03877	3.3
185.08096	100.0
185.11610	12.0
193.52136	1.5
202.10780	3.1
203.09122	19.5
203.12776	3.9
213.07080	2.2
220.06287	2.3
220.09885	2.6
220.11885	40.5
237.02853	1.9
238.98509	1.8
382.17007	21.9
382.27899	3.5
383.13040	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	382.1171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.5
54.61284	0.6
55.05503	1.4
56.96548	1.0
57.03189	1.1
57.03440	13.2
58.99591	3.4
60.04529	6.5
61.02915	2.5
67.04254	0.8
67.05498	1.5
68.85082	0.8
69.03428	7.6
69.07047	2.0
69.67648	5.0
70.06597	3.7
71.04979	2.7
72.08129	0.8
73.02911	1.9
76.02234	1.1
79.05479	2.0
81.03415	5.1
81.07063	3.6
83.04984	10.8
84.08134	1.6
85.02905	25.7
86.00653	8.0
86.09212	1.0
86.09707	15.7
86.99057	4.4
87.04476	1.3
87.05580	2.9
89.06017	2.8
91.03931	1.5
91.05493	0.8
93.07035	2.2
94.06550	1.0
95.04956	1.2
95.08621	1.5
97.02892	8.4
97.06509	4.8
98.06071	1.3
98.97582	1.8
99.04450	1.1
99.08080	1.0
100.02206	25.5
105.00080	3.0
105.01884	2.2
105.07061	1.6
107.08601	4.7
109.02874	3.2
109.06494	1.6
110.07149	3.3
111.08128	0.8
112.07566	0.7
113.00504	0.6
115.03983	0.7
116.07080	0.9
116.98606	1.4
117.09121	2.5
118.03235	1.5
119.04937	1.2
119.08550	1.1
121.06422	0.8
121.10113	2.3
123.04382	1.1
123.08055	1.1
124.07584	0.9
125.05986	12.5
125.09679	1.3
127.03919	6.6
127.07542	1.1
128.05305	9.2
128.10735	1.6
131.08514	0.6
132.01160	9.6
133.10103	2.0
136.07584	5.1
138.03731	1.0
139.11163	1.2
143.07040	29.6
144.04875	0.9
145.04971	5.1
146.02710	23.8
149.09624	2.5
156.04791	21.0
160.98557	0.7
161.09613	0.8
165.05533	1.3
167.10695	8.5
173.12866	23.4
174.05804	3.6
178.13358	0.8
179.10612	0.6
181.78874	0.8
182.08144	4.6
184.04340	0.7
185.08113	2.0
185.11728	8.2
188.11330	0.7
189.00700	0.7
190.05336	2.8
192.06856	1.7
192.44876	0.8
201.12367	10.3
202.05324	22.4
203.09154	15.9
203.12813	2.7
220.06390	100.0
221.06693	1.2
225.11349	1.0
237.33679	0.7
268.07870	0.9
275.24039	0.7
295.16638	0.7
311.11060	0.9
314.08359	1.2
317.27948	0.8
332.09570	1.4
382.15839	1.1
382.28183	1.2
407.54724	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.7
55.05499	2.2
55.72456	0.9
56.96562	5.8
60.04512	1.6
61.02908	1.0
67.05487	3.5
68.66244	0.9
69.03411	2.7
69.07047	2.7
70.06594	7.8
70.79669	2.9
71.04984	1.8
72.08140	4.5
76.30191	1.1
79.05504	2.1
81.07045	4.3
83.04983	1.3
84.04509	1.2
84.08119	3.5
85.02888	4.2
86.09710	5.1
89.62548	0.9
91.05466	3.9
93.07030	3.8
95.04945	2.5
95.08588	4.1
96.65479	0.9
97.02892	2.3
97.06514	2.6
98.97571	6.7
105.07022	2.2
107.08583	1.7
108.08084	0.9
109.06503	1.4
111.08083	1.5
112.07556	1.1
115.03957	1.1
116.07085	1.2
116.98600	7.6
119.08549	1.0
120.08071	3.4
120.08857	0.9
121.02909	1.3
121.10126	1.6
122.06036	1.5
128.06181	1.1
129.10223	2.1
133.10106	1.2
134.99695	4.9
135.08031	1.6
136.07547	1.3
137.06033	1.1
138.05464	1.7
139.99966	0.9
140.07010	1.4
144.08105	1.1
145.10124	1.8
146.99617	1.2
147.07956	1.8
147.11697	1.7
148.07512	2.0
152.07024	1.8
157.10100	1.1
158.99680	1.9
159.11681	1.0
160.07521	1.0
161.09642	1.1
164.07071	2.0
166.08617	1.4
166.13054	1.0
171.05559	1.7
171.09094	1.4
171.11653	1.2
172.07581	1.7
173.07072	3.0
174.05511	1.8
174.09097	1.5
176.07047	1.3
177.00696	5.3
180.88866	1.0
183.09171	2.1
184.07565	1.9
185.16351	1.4
187.02718	1.4
187.08682	4.0
188.07077	3.2
189.00714	1.2
189.10316	1.0
190.08546	0.9
193.07593	1.4
199.08757	1.6
200.07086	2.2
201.06551	4.2
201.10274	2.0
202.04985	1.4
205.03928	1.3
210.07625	1.4
211.08678	7.4
211.10512	1.4
212.07054	1.4
213.10275	1.2
214.08672	1.8
215.08168	17.3
216.06534	1.4
217.09727	1.9
218.10335	1.0
219.13724	1.2
221.06935	1.0
221.95586	0.9
224.05844	2.7
225.06587	3.6
227.04501	1.6
227.08102	2.1
229.03763	1.1
229.05983	1.9
229.09671	5.1
231.11342	1.3
232.09772	1.2
233.09262	4.4
234.07716	1.4
237.02849	1.1
239.08154	28.1
241.09821	1.6
243.07666	22.2
244.05983	1.5
244.08235	1.9
245.09174	4.6
247.10780	1.7
248.05478	1.5
249.06590	1.7
253.06055	2.5
257.09210	13.7
259.10815	1.7
261.08698	8.7
261.12411	2.2
266.10269	2.1
267.07642	89.9
268.07904	3.5
269.09222	2.9
271.07135	7.1
271.10403	1.5
275.10376	2.9
278.11813	1.0
279.09927	1.5
279.13315	2.3
285.08698	74.2
286.09180	2.3
287.10172	2.5
289.08151	11.6
289.11749	4.1
294.09753	1.1
294.13330	1.4
295.07056	10.5
303.09708	10.3
303.13354	4.7
307.09131	3.3
307.12894	2.6
308.06296	1.3
310.07532	1.7
313.08185	55.8
314.08469	3.0
316.10486	1.1
321.10782	9.5
321.14447	10.5
331.09250	100.0
331.12659	4.6
332.09540	4.2
335.08752	1.6
339.11896	11.9
345.10849	1.3
349.10196	6.1
349.13922	14.2
353.09314	2.6
363.08896	1.8
363.12076	15.0
363.16266	1.4
372.13242	3.1
372.63647	1.1
381.08899	6.0
381.12878	36.1
381.16678	18.3
382.09439	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	381.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	3.5
56.96568	15.1
57.03423	1.9
60.04540	1.9
65.45746	1.5
67.05486	4.8
69.03440	2.2
69.07059	3.7
69.99996	5.0
70.06602	9.6
71.04996	1.9
72.08134	5.9
79.05493	2.9
81.07047	4.4
83.04987	1.7
83.08574	1.3
84.08149	2.4
85.02896	6.3
86.09698	5.4
91.05460	4.8
93.07028	5.4
95.04968	2.7
95.08595	5.8
97.02885	2.9
97.06506	4.0
98.97588	19.6
105.07040	5.1
107.08594	4.1
109.06437	1.7
109.10152	1.8
111.04458	1.4
116.07129	1.9
116.98629	14.5
117.07008	1.8
117.75195	1.6
119.04929	2.5
119.08546	4.1
120.08097	4.2
121.02897	2.4
121.06507	2.2
122.06011	1.5
127.03970	2.0
128.98581	2.7
129.10226	2.6
131.08539	1.6
133.10127	2.7
134.05991	1.7
134.99672	12.0
135.08121	1.5
135.11653	3.4
137.05974	1.6
138.05475	1.4
138.09131	2.1
145.10150	1.6
146.99614	2.4
147.07964	2.0
157.10077	1.8
158.99632	4.5
159.05635	1.6
166.05043	1.9
170.06052	1.7
171.05511	3.0
173.07205	2.8
173.09567	1.4
174.05458	1.9
176.07101	2.0
177.00687	10.0
183.09232	1.8
184.07600	2.8
187.02774	4.0
187.08809	2.7
187.10902	1.5
188.07108	2.4
189.00740	2.9
200.02316	3.1
201.06589	4.5
201.10469	1.6
205.03894	4.3
205.09937	1.7
209.13126	1.4
210.07703	1.8
211.08569	6.9
213.04457	1.5
213.06535	1.6
213.10326	1.8
214.08698	1.9
215.08185	15.4
216.06642	2.3
223.11275	1.9
224.05585	2.3
225.06563	4.5
227.04198	1.9
227.08090	1.8
229.03888	3.0
229.06021	2.7
229.09764	3.4
231.05409	1.9
233.09331	5.5
237.02798	1.8
239.08134	22.6
241.09766	3.0
242.10323	2.0
243.07695	20.8
243.11354	2.3
244.08220	3.0
245.09319	4.1
248.05470	2.0
248.09177	2.1
249.06456	2.1
251.10442	1.6
253.06108	3.0
257.09256	12.6
259.10898	1.9
261.08676	11.1
261.12466	4.0
263.14169	2.1
266.10349	2.6
267.07657	87.2
268.07837	4.0
268.10468	2.0
269.09149	2.6
271.07175	4.9
271.10849	2.4
277.15802	2.1
278.11786	2.7
279.09860	2.0
279.13489	3.6
282.10098	2.9
285.08698	70.4
285.11951	3.0
286.08939	2.7
287.10352	2.7
289.05579	1.7
289.08206	13.2
289.11713	5.1
291.10605	2.9
294.13263	1.8
295.07098	11.3
300.11258	3.2
303.09796	13.2
303.13416	9.0
307.09448	4.0
307.12695	3.3
310.52441	1.5
313.08179	53.8
314.08545	2.8
319.12842	3.0
321.10822	10.2
321.14474	20.7
322.07632	1.7
322.15240	1.6
331.09280	100.0
331.12845	9.4
332.09500	6.6
335.09125	1.5
339.11865	14.0
339.15411	2.4
342.12268	1.9
349.10245	5.4
349.13947	23.0
353.09412	3.7
363.08209	2.9
363.12009	18.6
364.12280	2.1
372.13232	3.2
381.08957	10.6
381.12891	31.8
381.16623	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	381.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
69.38020	16.1
99.22509	2.0
123.16045	2.4
201.01642	3.5
205.12021	2.0
219.02808	2.5
245.38132	2.4
257.62839	2.2
271.79440	2.6
381.07898	100.0
382.08194	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	381.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96292	3.2
56.96565	57.2
57.03432	3.0
60.95864	1.7
61.02920	5.1
69.03424	5.2
70.06601	2.4
70.15292	7.6
73.02919	3.2
74.35291	1.4
74.97580	1.8
75.99177	1.4
80.96542	1.4
81.03426	3.6
83.66607	1.4
84.08192	1.9
84.96040	5.9
85.02909	13.3
86.03209	1.4
86.09699	4.1
87.04469	1.7
91.69629	1.7
97.02896	5.8
98.97584	64.3
99.04430	1.9
110.97587	8.6
112.99139	5.1
115.00691	7.2
116.98624	44.4
119.00185	3.3
119.01888	2.3
127.03925	3.7
128.98611	21.0
129.02264	2.4
131.00188	7.0
132.10210	3.2
133.01726	16.3
133.03403	2.2
134.99672	20.0
136.06210	1.7
140.00189	2.0
143.00179	4.4
145.05019	3.8
146.99648	21.9
147.03297	6.3
149.01202	5.9
151.02811	6.1
153.00710	2.5
155.01881	1.6
158.99635	12.7
159.03207	8.9
161.01202	7.7
162.99118	3.2
163.02728	3.6
165.00754	8.5
165.04398	2.6
170.99626	5.6
171.03314	2.6
173.01294	1.6
174.99190	9.0
175.02750	2.8
177.00725	19.9
177.04337	42.9
179.02295	2.9
183.03308	3.3
186.99004	1.8
187.02748	2.1
188.97049	2.0
189.00758	7.7
189.04372	9.0
190.98544	2.2
191.02209	2.5
193.00230	15.7
193.03889	2.9
195.01735	3.0
195.05423	30.9
200.06073	2.2
201.00682	3.5
201.04340	18.3
205.00081	2.0
205.03813	3.0
207.01768	3.8
207.05487	2.0
212.94905	1.8
218.07094	2.7
219.01791	26.6
219.05281	13.2
219.07190	2.6
221.05069	2.3
223.01300	3.0
227.02002	1.7
231.05342	3.6
237.02817	72.0
242.03519	2.5
247.01299	2.4
255.03920	6.6
256.99527	2.0
260.04474	2.6
261.02597	2.2
261.06583	3.0
262.05075	2.1
268.03690	1.6
273.08377	2.0
275.00803	5.1
277.02496	1.9
277.05841	2.6
279.04419	5.8
287.36197	1.6
288.98724	2.6
289.02371	3.8
293.01880	1.7
293.05219	1.5
295.06903	7.1
303.00284	4.0
307.03619	3.4
321.08447	100.0
339.09625	66.0
362.11209	5.4
381.04318	7.7
381.10889	33.9
382.05081	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	380.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.1
53.08979	2.7
55.01861	3.4
55.05485	7.4
56.05031	4.1
57.03421	5.3
57.07072	6.2
59.04987	6.1
60.04524	34.8
61.01147	4.2
61.02914	3.6
67.05486	11.1
69.03414	11.0
69.07050	5.9
70.02948	82.5
70.06584	21.9
71.04982	21.5
71.43307	4.6
72.08141	11.7
73.02932	4.2
74.06066	2.4
75.90340	2.6
79.05485	7.7
81.03415	8.3
81.07062	13.7
83.04996	5.2
83.97554	2.8
84.04507	4.7
84.08133	6.8
85.02412	4.6
85.02898	45.4
85.06532	14.3
86.09692	10.4
87.04470	3.3
88.03988	100.0
88.89871	2.6
90.02602	2.3
91.05498	12.4
93.07044	11.8
95.04939	5.4
95.08584	9.8
96.00848	6.5
97.02875	7.7
97.06503	5.1
98.02424	3.2
98.97601	3.2
99.04430	4.0
102.05490	2.6
103.07572	10.4
105.07012	3.6
107.04956	5.2
107.08588	5.6
109.02879	3.8
109.06487	7.1
109.10112	3.7
113.05996	5.3
114.05536	3.0
116.07121	4.3
118.06789	3.0
119.04939	2.5
119.08585	14.7
120.08109	3.2
121.10105	4.5
123.00169	3.0
123.08070	3.2
124.03915	3.3
125.12868	2.9
127.03918	4.3
129.05473	3.0
131.07092	4.4
131.08420	3.1
135.11708	2.5
136.07591	14.0
137.09615	7.9
138.05530	3.7
145.04945	3.1
147.11568	3.7
148.09631	3.1
155.10590	4.5
164.07072	7.3
165.09105	10.9
166.05023	4.9
175.11272	2.8
182.06598	4.9
182.08112	50.8
183.10236	13.2
183.13661	4.5
200.09187	69.1
201.11198	5.8
203.12154	7.4
218.05013	3.1
218.10236	46.2
235.14380	7.5
237.02660	3.4
238.58849	2.6
287.06250	2.5
288.38702	2.7
305.09592	2.8
335.65680	2.7
358.08112	2.8
362.25284	10.8
380.10330	75.4
380.22202	3.7
380.26566	21.1
381.10635	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.5
55.01873	6.0
55.05519	19.4
57.03414	3.9
57.07071	7.8
58.94866	3.0
59.05005	3.2
65.31194	3.0
67.05502	27.5
69.03408	11.0
69.07069	44.0
69.81463	10.8
69.81879	8.9
71.04998	17.5
75.00878	3.1
79.05492	21.2
81.03406	5.4
81.07056	100.0
83.08615	12.8
85.02909	19.7
85.06548	21.2
87.00833	3.6
91.05467	13.7
93.07038	44.8
94.06627	3.6
95.04942	8.1
95.08598	73.6
97.02882	8.7
97.06527	31.8
97.10154	4.9
99.04444	5.8
99.08059	6.0
105.01873	4.6
105.07039	18.8
106.06528	3.5
107.08582	37.8
109.10161	50.1
110.10451	3.5
111.08067	17.6
111.11724	8.7
119.08584	15.2
121.10129	24.6
122.05979	5.8
122.09663	19.1
123.11712	46.0
125.09653	15.5
127.03928	7.7
127.11170	8.5
133.10089	8.5
135.04372	4.2
135.11690	23.7
136.07603	5.7
137.09596	3.4
137.13252	23.3
139.11154	16.3
145.04916	3.5
145.10115	4.6
147.11649	15.9
149.13268	26.8
150.09180	4.0
151.11113	5.7
153.12685	11.8
159.11664	10.6
161.13235	6.3
162.07738	4.4
163.03864	12.4
163.14781	9.6
165.12730	6.9
167.07004	3.3
169.12190	6.3
171.13805	12.0
173.13181	4.5
175.14833	7.0
183.08115	6.3
183.13797	11.1
189.16515	4.8
197.85121	3.3
201.09070	8.5
201.14847	16.0
203.17891	6.7
215.18021	4.9
217.11664	3.9
231.10141	4.8
251.19966	7.0
259.09689	6.8
271.24164	5.6
277.25354	7.5
289.25220	13.1
291.12338	4.5
307.26263	29.7
313.08200	3.5
325.27332	5.8
335.11011	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	377.1456
Annotation	Tuliposide D
Peak:m/z	Relative Intensity
53.03936	1.9
55.05504	1.3
56.96560	0.7
57.03440	6.9
59.04981	0.7
61.02639	0.7
61.02913	3.4
67.05489	1.3
69.03428	11.1
69.07064	1.4
70.06567	1.4
70.83904	1.6
71.01336	1.8
71.04991	3.6
72.08130	0.6
73.02907	2.0
75.04466	1.9
81.03425	4.0
81.07047	2.0
85.02892	3.6
86.03223	0.7
91.05474	1.2
93.07061	0.7
95.08592	2.2
97.02910	1.1
97.06495	1.2
99.04456	3.4
101.31027	0.6
101.70866	0.7
103.05464	0.6
105.07008	1.7
107.08552	1.5
109.06510	0.7
117.05559	0.7
121.10125	0.9
122.02714	2.1
124.07614	3.8
125.07893	2.7
127.03923	1.2
131.08539	1.3
132.08914	0.9
133.10075	1.3
137.05975	3.1
138.09113	3.5
139.09457	3.0
145.07613	1.6
150.12756	1.1
151.03877	0.8
151.13152	1.4
169.38962	0.6
172.08685	19.3
178.12195	1.3
179.10687	1.4
179.12572	2.1
182.04639	0.9
184.08835	0.7
187.07487	1.2
188.07884	1.9
190.09750	0.8
191.05214	1.9
197.11890	0.7
197.13628	1.3
198.06569	4.0
200.05872	0.9
200.08162	2.2
214.14386	13.0
215.14705	21.5
216.07693	14.2
218.09282	1.4
243.08781	55.8
244.07079	1.5
261.05536	1.0
265.05063	1.9
272.07623	0.9
279.06476	2.3
303.06314	1.2
359.13144	3.1
368.65289	0.8
376.65219	1.3
377.14569	100.0
377.65701	1.6
378.15021	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	377.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13496	2.4
55.05506	27.1
57.07061	7.2
59.04983	3.4
61.77363	2.5
67.05505	46.3
69.03427	10.0
69.07072	44.2
69.30045	34.8
70.06610	3.8
71.04987	8.2
79.05479	20.5
81.03414	5.1
81.07058	100.0
82.07394	3.4
83.04988	6.5
83.08619	16.1
85.02895	7.8
85.06541	9.4
86.09705	4.4
87.04463	4.1
91.05476	19.8
93.07041	57.7
95.04977	17.0
95.08606	65.4
96.08898	3.4
97.02905	4.5
97.06535	9.7
97.10172	9.1
98.21488	6.8
99.08134	3.1
100.11292	3.8
105.07043	24.2
107.08601	41.0
109.06520	7.4
109.10154	72.5
110.10476	3.2
110.25993	2.7
111.08083	11.4
119.08576	21.8
120.08095	6.9
120.08932	2.8
121.10137	45.6
123.08085	5.8
123.11703	48.4
125.09620	9.0
127.03851	4.4
127.07546	4.1
127.11240	4.0
131.08563	5.2
133.10138	19.8
135.11676	28.6
137.13254	12.3
139.11131	8.3
145.10144	11.6
147.11690	18.6
149.13275	11.0
153.12749	11.1
155.10565	3.5
157.10124	4.5
159.11697	8.1
161.09579	4.5
161.13245	9.7
163.14832	4.1
165.12775	7.6
172.81274	3.4
175.14861	6.3
177.16428	12.1
179.17149	4.4
181.12181	4.0
187.14873	3.8
189.16501	4.0
193.15898	3.1
195.17403	3.4
197.18250	3.5
201.16444	3.2
213.16464	3.9
213.18436	5.9
217.03857	3.0
243.26233	3.0
248.38596	3.1
287.23676	9.4
293.24719	4.6
305.24854	16.1
323.25870	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	377.2897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	5.3
55.05504	21.1
56.96563	3.7
57.03438	5.1
57.07055	6.2
66.37025	3.6
67.05498	39.8
69.03417	13.9
69.07068	38.0
69.70952	24.7
70.06594	4.1
71.04989	16.0
72.07457	3.3
72.08154	8.0
73.02903	4.0
79.05489	22.1
81.03448	5.9
81.07055	100.0
82.07406	4.4
83.04972	12.5
83.08609	11.4
85.02870	8.6
85.06543	22.5
91.05466	26.2
93.07040	67.9
95.04946	20.1
95.08598	71.8
97.02879	10.1
97.06530	13.7
97.10145	5.5
99.04470	4.3
99.08125	8.9
102.52178	3.8
105.07025	40.2
107.04957	6.5
107.08595	54.5
109.02895	3.6
109.06535	9.6
109.10159	66.9
111.08094	13.7
111.11729	6.5
119.08572	28.3
120.08099	3.5
120.08968	4.1
121.06477	4.7
121.10137	49.2
123.08057	5.8
123.11700	43.6
125.09622	8.3
127.11183	7.9
129.07033	4.8
131.08540	11.2
133.10127	30.0
135.11681	28.7
137.06000	9.1
137.09613	8.3
137.13260	16.1
139.11194	8.9
143.08542	4.5
145.10130	12.4
145.60864	3.1
147.08099	3.5
147.11678	23.3
149.09668	4.0
149.13261	17.7
151.11208	8.5
153.12746	8.0
153.27022	3.5
155.10645	5.5
157.10129	8.5
159.07986	5.0
159.11723	15.6
161.13281	13.3
163.11194	6.9
165.12714	7.3
167.10641	5.8
169.12213	4.8
171.11699	6.7
173.13295	10.0
175.14813	11.4
177.00800	6.0
177.12857	4.0
177.16483	4.8
179.10651	6.5
181.12210	10.1
187.14909	7.1
189.12665	4.2
189.16380	4.5
193.12164	3.8
201.16348	9.5
203.14355	3.8
203.17938	4.2
213.16318	5.7
215.12869	6.4
215.18539	5.2
216.12314	11.4
249.18536	5.2
257.22751	4.1
262.50336	3.8
267.19687	7.3
269.22800	5.0
287.23785	9.7
305.24799	15.2
312.06982	3.9
323.25912	8.9
377.19690	4.6
377.23703	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	377.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.9
55.05511	5.7
56.05030	7.9
56.47361	5.1
56.96562	13.6
57.03431	6.3
57.67682	4.9
62.03867	4.7
64.78602	5.0
67.05511	8.0
69.03423	14.3
69.07066	16.9
70.06586	20.4
71.04993	8.5
71.60366	9.2
72.08163	28.2
79.05483	11.1
81.03417	10.1
81.07053	26.8
83.81126	5.8
84.04530	5.4
85.02911	20.7
85.06528	8.2
86.09718	14.8
88.03979	6.2
91.05500	11.5
93.07037	17.6
93.20934	5.6
95.04964	5.2
95.08614	20.9
97.02892	11.6
97.06556	8.5
98.97596	24.0
99.04443	5.7
99.08092	9.2
103.05508	5.6
104.05324	15.0
105.06995	13.6
107.05004	6.0
107.08601	14.2
109.02946	5.8
109.10178	14.5
110.97546	6.1
111.08084	9.3
116.98619	12.1
119.08600	7.4
120.08110	10.2
121.02883	11.2
121.10161	17.0
122.06021	5.3
123.11752	6.8
127.03906	8.0
127.08672	10.0
132.39867	5.5
133.10135	10.7
134.99649	7.1
135.11728	6.8
137.06020	7.9
140.07031	6.8
146.99750	5.8
147.04695	6.9
151.03886	16.1
158.99626	5.7
161.06075	8.7
164.06226	4.8
164.07339	29.4
174.19418	5.9
177.00774	12.8
187.07571	5.9
187.10855	15.7
191.05830	5.8
207.10193	5.9
215.07153	8.6
237.02806	17.9
321.07608	9.6
345.11005	6.0
349.07108	10.7
359.12396	11.1
377.06894	8.8
377.12131	100.0
381.91101	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	377.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	5.3
56.96561	11.1
57.03432	6.7
61.02917	9.3
69.03429	12.9
69.53306	24.2
72.08112	4.1
73.02912	12.3
78.23255	3.4
80.41228	3.2
81.03426	6.2
85.02908	29.5
87.04463	6.7
97.02902	13.9
98.20774	7.6
98.97590	13.4
101.02380	7.6
113.72034	3.5
116.98629	10.6
119.01870	9.2
121.01754	4.1
124.84435	3.7
127.03920	8.4
128.98601	3.8
131.00195	5.0
131.01813	3.4
134.99622	9.6
143.03407	3.3
144.54488	3.3
145.04932	6.0
146.99663	6.4
147.03152	3.9
149.01237	6.7
156.03615	8.6
158.99707	4.5
161.01216	9.1
161.02931	5.0
163.02948	3.7
163.04430	8.4
165.00677	3.4
168.03737	6.6
173.03081	4.1
177.00763	10.8
177.04158	11.8
179.02238	4.6
181.49178	3.5
191.02332	5.4
191.03822	16.2
200.04417	13.8
209.93794	4.0
211.55316	3.4
214.95047	3.9
219.01804	6.4
228.05792	17.6
231.01585	4.3
237.02776	7.3
237.06265	6.6
257.05884	4.6
271.05811	11.8
272.06616	10.8
281.07022	10.3
281.57553	3.4
333.09482	4.6
334.95804	4.0
377.08450	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	376.1967
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
54.11029	0.2
55.01858	0.5
55.05507	0.6
56.96572	0.4
57.03442	1.4
58.99570	0.3
61.02914	1.0
67.05505	0.5
69.03432	3.4
69.07079	1.4
70.06597	0.4
71.05003	1.3
71.60658	0.5
72.08143	0.3
73.02916	0.4
75.04472	0.5
76.02215	0.6
79.05492	1.0
81.03427	1.4
81.07066	1.4
82.06577	0.9
84.04500	0.3
85.02432	0.4
85.02911	6.3
86.09713	0.4
87.04486	0.5
91.03938	0.3
91.05481	0.7
93.07053	0.9
94.06578	1.1
95.04969	0.4
95.08581	0.8
96.08144	1.3
97.02891	2.5
97.06530	2.5
99.04466	0.7
103.05442	0.3
105.07029	0.8
105.28757	0.2
106.06525	0.3
107.08593	0.9
108.08090	0.8
109.02862	0.6
109.06519	0.6
109.10130	0.5
110.06049	0.4
110.09688	0.7
112.07541	0.3
117.06985	0.3
117.18731	0.3
119.08563	0.7
119.91971	0.2
120.08119	0.7
121.06480	0.4
121.08892	0.3
121.10099	0.5
122.02738	3.6
122.09670	1.6
123.06815	0.6
123.08082	1.3
124.07599	21.6
125.07888	0.3
126.09202	1.1
127.03932	1.3
128.06197	0.3
129.07085	0.2
130.04886	0.2
131.08571	3.2
133.10162	0.6
135.08034	0.5
135.10461	0.5
135.11667	0.4
136.07561	0.3
136.11215	3.0
137.06021	0.2
137.09636	0.5
138.09143	17.9
139.09471	0.3
139.46248	0.3
140.10709	2.3
145.04970	0.7
145.06461	0.3
145.08875	0.4
149.09665	0.5
150.12772	9.6
151.03894	0.3
151.11198	0.5
152.10735	1.5
153.68948	0.2
159.08052	1.7
160.11203	0.4
161.09641	0.5
163.03920	0.4
168.01953	0.3
168.13873	0.3
172.08723	0.7
177.09125	0.6
178.12274	10.3
179.10719	1.2
179.12709	0.2
187.07558	2.0
191.05247	0.6
191.08157	0.3
191.10667	0.7
193.12189	0.3
196.13333	7.2
200.05658	0.2
205.08606	0.3
214.14388	100.0
215.14699	1.9
216.07587	0.3
219.10193	0.7
238.14461	0.4
243.08751	1.2
261.05551	0.4
265.05020	0.4
272.07684	0.4
279.06589	0.9
303.06476	0.3
375.64624	0.2
376.14954	0.8
376.19705	6.9
376.24451	0.4
376.65472	0.3
377.15155	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	376.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53679	0.7
53.03951	0.8
55.05512	1.0
56.05038	1.0
57.03430	2.7
60.04526	1.2
61.01148	2.1
61.02921	3.9
62.06067	0.9
64.18843	0.9
69.03441	6.2
69.07072	1.5
70.06597	4.5
71.04992	2.3
71.59158	1.2
72.08159	2.4
73.02917	2.1
74.06074	2.1
75.39839	0.9
79.05483	1.1
81.03422	3.3
81.07058	1.9
82.06573	1.0
82.15148	0.9
82.96878	0.9
84.04503	2.9
84.08141	1.9
85.02910	27.0
85.19151	0.9
86.03226	0.9
86.09706	7.3
87.04453	1.1
88.04007	0.9
89.49046	0.8
91.03947	1.9
91.05492	1.7
93.07005	1.2
96.04518	1.3
97.02896	8.7
98.97572	1.5
99.04484	1.4
102.05543	1.4
107.08610	2.4
109.02898	1.8
109.06522	1.1
109.10138	1.1
111.04442	1.1
112.40298	0.9
116.98623	1.0
119.04903	1.1
119.08599	0.9
120.08102	1.2
125.09612	1.1
127.03919	5.2
133.10117	1.1
137.05981	100.0
138.06343	1.9
138.09248	1.1
142.12466	0.9
144.06569	1.2
145.04988	6.3
148.06041	1.1
149.02722	1.1
151.07513	1.2
156.10237	0.8
160.74203	0.8
161.09547	0.9
162.07642	1.7
166.64876	1.0
177.05365	1.4
178.05652	0.9
179.07048	39.6
180.08693	2.9
183.96323	0.8
187.14474	2.4
197.08134	9.2
197.11809	1.2
211.13280	0.9
213.11095	1.2
214.11371	2.1
214.14403	2.5
231.96555	1.0
237.02817	1.1
249.13670	0.9
250.14400	1.7
258.90747	0.8
275.65369	0.8
294.04340	1.0
313.12033	1.2
376.12427	1.6
376.18890	4.7
376.24887	2.8
377.13602	1.5
377.17966	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	375.2742
Annotation	oscr#24
Peak:m/z	Relative Intensity
50.17942	4.5
53.03936	6.6
55.05510	28.3
56.89433	4.7
57.07069	11.3
67.05507	43.2
69.03405	15.5
69.06725	7.5
69.07069	95.4
69.34641	52.8
71.04982	10.4
71.08614	4.3
74.70934	4.9
79.05473	21.9
81.03403	7.3
81.07063	100.0
83.08597	20.8
85.02924	11.7
85.06523	12.4
87.04471	5.7
91.05472	21.1
93.07056	63.8
95.04961	20.6
95.08608	89.7
97.06517	16.7
97.10174	9.9
98.20795	9.3
99.08089	5.0
105.07034	32.2
107.08591	84.7
109.06493	6.9
109.10167	89.7
111.04413	6.7
111.08076	18.1
111.11721	13.9
119.08579	30.2
121.06498	7.6
121.10144	38.0
123.08048	6.3
123.11691	33.4
125.09586	10.0
129.06976	5.2
131.08592	11.9
133.10123	30.3
135.08031	14.3
135.11705	34.5
137.09587	27.3
137.13200	9.5
141.09270	5.3
143.08626	7.1
145.10098	15.8
147.08051	5.2
147.11668	18.5
149.09622	11.4
149.13271	8.0
151.11246	24.2
153.09073	6.7
153.12711	36.0
157.10083	8.4
159.08020	6.3
159.11725	14.4
161.09552	6.3
163.14771	6.4
165.09106	17.5
167.10638	15.8
169.12201	8.8
171.11708	7.8
171.13800	12.2
173.13307	10.6
177.09186	10.5
179.10674	8.3
187.14841	9.1
193.12326	10.2
195.10175	11.5
205.15958	5.9
214.18091	5.8
216.12253	6.5
261.22275	9.9
275.23639	9.6
277.25146	5.6
285.10052	11.7
285.22192	5.7
286.10507	6.2
303.23196	51.2
321.24265	58.3
339.25281	19.4
343.15454	8.1
358.18521	5.1
376.80154	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	375.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81368	6.2
53.03943	6.7
55.05501	23.8
67.05506	28.3
69.07069	10.1
70.52880	9.7
70.53239	22.9
79.05500	24.8
81.07056	49.7
82.02518	6.2
83.08614	10.4
91.05483	42.0
93.07042	81.3
95.04983	33.9
95.08587	42.0
97.91778	6.0
105.07030	100.0
107.08596	39.5
109.06499	16.9
109.10150	22.0
117.07036	10.4
119.08585	81.3
121.06532	15.5
121.10166	58.9
123.08080	14.6
123.85089	6.5
128.06259	10.7
129.07018	14.1
131.08571	44.7
133.10120	46.9
135.11685	12.8
142.07796	18.4
143.08580	27.9
144.09317	7.4
145.10094	43.2
147.11703	19.6
156.09334	8.1
157.10147	48.0
159.11714	25.2
161.09637	10.0
169.10094	7.9
171.11696	12.0
173.13252	12.3
175.11147	7.8
181.10172	11.5
183.11668	12.9
185.13329	8.5
187.11147	10.4
193.10135	9.1
195.11795	8.0
197.13278	9.8
199.14856	9.2
207.11755	8.4
209.13193	7.7
232.50861	7.1
375.26733	24.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1626
Annotation	3-(Acetyloxy)-9-mercaptoandrosta-3,5-diene-11,17-dione
Peak:m/z	Relative Intensity
52.94588	0.2
55.01872	0.4
55.05504	0.6
67.05499	0.8
68.44763	0.3
69.03434	0.4
69.07039	0.8
69.72435	0.5
69.72842	1.5
71.04976	0.5
73.02896	0.4
73.09557	0.3
73.55322	0.3
79.05486	0.5
81.03401	0.5
81.07056	2.2
83.08636	0.3
85.06536	0.6
91.05484	0.6
93.07033	0.8
95.04973	0.5
95.08605	1.3
97.06503	0.5
98.20692	0.3
105.07025	0.6
106.38741	0.3
107.08591	1.0
109.10144	1.0
111.08071	0.8
119.08583	0.6
121.10157	1.0
123.08100	0.5
123.11700	0.7
127.03912	0.3
133.10118	0.6
135.11664	0.5
137.05963	1.0
145.10115	0.5
149.13293	0.4
151.03889	0.3
161.05988	0.4
167.07062	0.4
183.56360	0.3
213.11021	1.1
253.08539	0.8
270.08820	0.4
275.88416	0.3
285.11255	0.4
285.22263	0.3
303.23291	0.4
315.14047	1.2
321.24249	0.4
339.25400	0.3
357.13281	1.2
363.04053	0.3
369.03650	0.3
373.07651	0.3
375.16248	100.0
376.16580	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2377
Annotation	Linarionoside A
Peak:m/z	Relative Intensity
53.03938	3.4
55.01868	5.2
55.05269	1.2
55.05511	18.5
57.03438	7.5
57.07067	3.5
59.04992	3.3
61.02931	11.3
65.86549	0.9
67.05502	10.1
69.03432	30.5
69.07069	39.2
69.29733	9.7
70.07417	0.9
71.04993	11.2
73.02900	3.8
73.27473	0.9
77.03908	0.9
79.05492	5.5
81.03426	11.7
81.07063	26.7
83.01347	1.6
83.04996	9.7
83.08626	8.1
84.70109	0.9
85.02909	72.6
85.06075	1.3
85.06549	24.2
87.04498	5.3
91.03941	4.1
91.05464	2.7
93.07038	16.3
95.08608	40.3
97.02893	23.8
97.06511	6.7
97.10172	9.4
99.04450	4.0
99.08093	25.7
101.02362	1.1
105.07003	3.6
107.08596	25.1
109.02879	9.9
109.10166	18.0
111.08085	4.0
111.11729	6.8
113.09631	8.1
115.03931	1.0
119.08607	2.1
121.10149	37.2
123.08057	1.4
123.11710	9.3
125.09624	8.6
127.03925	18.0
127.11166	2.3
129.06949	0.9
131.08572	1.1
133.10126	1.8
135.11687	17.2
137.09653	1.1
137.13252	20.3
138.13618	1.0
139.11177	9.4
143.08650	1.0
145.04951	12.9
145.10149	1.1
147.11703	1.3
149.13248	5.1
151.14815	3.6
153.12759	12.0
159.11681	1.6
177.16393	100.0
178.16750	4.6
181.08910	1.3
195.17451	42.7
196.17738	1.1
213.18497	65.5
214.18771	1.3
375.18240	2.6
375.23688	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	375.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46431	2.2
55.01870	17.6
55.05504	4.7
57.03430	2.1
67.05500	5.8
69.03424	5.9
69.07062	8.0
69.26655	24.1
70.06586	3.1
71.04996	4.3
72.23949	1.9
73.02914	98.8
77.32703	1.9
79.05488	9.0
81.03421	6.3
81.07058	17.6
83.04982	3.2
85.02905	7.9
85.06531	3.4
86.09704	5.5
91.03938	3.3
91.05493	8.9
93.07037	9.6
95.04966	8.6
95.08607	6.8
97.02899	4.9
97.06505	3.4
97.10191	2.4
98.20779	4.2
98.97558	5.2
103.05486	2.6
104.47802	2.1
105.07043	10.0
107.04948	4.5
107.08604	10.5
109.06533	8.3
109.10182	10.6
111.08084	2.8
116.98613	2.5
119.04920	3.3
119.08588	3.5
121.06507	9.0
121.10134	5.1
122.03656	3.5
123.07979	2.5
123.11680	3.1
125.09638	6.7
131.04918	4.5
133.06490	3.4
133.10103	2.9
135.08067	6.4
135.11678	3.8
137.05974	99.0
137.09598	2.7
141.07043	3.0
145.10115	2.8
146.03650	4.3
147.04369	3.2
149.05980	21.8
149.13177	2.5
151.03900	4.3
151.07547	8.3
151.11136	2.6
152.06161	4.2
153.07040	5.5
161.05971	60.0
163.07445	2.3
165.05629	4.4
165.07016	13.9
167.07092	4.5
167.08528	4.3
169.06635	2.5
175.07622	3.3
177.05548	5.0
177.09100	4.8
177.10982	2.9
179.07039	3.4
179.08479	3.7
180.05717	6.3
181.06427	13.3
182.07327	5.8
189.05553	2.8
191.05200	3.2
191.07034	11.4
193.06509	7.8
194.07233	9.1
195.08089	5.3
195.12163	2.5
196.05301	2.3
197.06001	8.2
198.06773	2.6
203.07011	3.3
205.05048	2.8
207.08057	3.1
208.05171	10.3
209.06079	4.7
209.08109	8.3
210.06754	17.9
211.07564	12.5
212.08333	4.9
213.09081	8.7
219.04295	2.9
219.07947	3.2
221.06012	14.3
222.06758	12.4
223.07565	6.4
224.08322	4.4
225.05469	7.1
225.09058	18.3
233.08052	9.6
236.04695	9.7
236.08258	2.3
237.03024	3.1
237.05415	4.1
238.06299	8.6
239.06992	6.5
240.07785	12.6
241.08635	9.4
251.07056	11.9
252.07977	3.1
253.04959	4.0
253.08582	93.9
254.09293	4.4
255.06911	2.6
258.08884	9.4
263.06870	2.3
265.08527	4.7
267.10242	4.5
268.07352	9.2
269.08109	5.8
270.08875	39.7
273.11194	50.2
277.08539	4.9
279.06543	9.7
281.07779	2.9
283.09790	5.8
284.10324	5.0
285.11182	71.6
295.09616	8.1
297.11206	4.4
299.09137	22.4
300.06213	2.7
307.10367	2.5
309.11282	2.3
311.09155	41.8
311.12637	4.3
315.08636	27.0
325.10724	32.0
327.12357	5.4
329.10129	4.1
339.12262	14.5
345.13281	35.9
357.13309	100.0
375.14340	72.0
375.19717	39.8
376.14615	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	375.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
56.44994	1.7
56.96562	9.7
57.03408	2.7
61.02914	1.8
69.03407	6.5
70.06571	6.2
71.04958	3.1
71.60045	2.3
72.08165	10.4
73.02888	2.7
74.86189	1.5
77.21229	1.6
81.03397	3.6
84.04471	6.1
84.08139	8.7
84.96031	1.7
85.02418	1.9
85.02899	16.2
86.09706	20.4
86.14246	1.7
87.01560	1.8
97.02858	6.1
98.97571	10.5
100.02190	2.2
102.05544	3.3
109.02856	3.6
109.44401	1.5
112.07591	1.6
116.98636	8.4
125.01951	1.6
127.03917	48.8
128.43147	1.7
128.98555	2.9
129.10207	6.0
130.04973	3.8
130.08575	2.1
133.06070	7.8
134.04503	1.8
134.99620	4.1
145.04916	2.5
146.99641	3.3
147.07596	5.7
150.05383	1.8
153.10336	1.6
155.04643	3.8
158.99603	6.9
161.01158	1.8
161.04688	2.1
163.02672	1.6
164.05135	1.9
165.00609	1.9
175.11905	1.7
177.00653	7.3
187.06374	1.7
189.00607	1.9
196.04216	3.1
197.12740	2.2
200.13995	1.9
201.12384	3.5
213.04205	4.3
213.09431	2.7
215.13956	4.0
219.01730	4.0
225.17204	2.5
229.42256	1.6
231.05338	10.0
237.02753	6.6
255.05478	4.1
273.06412	3.5
315.04175	4.1
375.10373	100.0
375.23322	11.2
376.10815	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	375.1439
Annotation	epi-Isohydroxymatairesinol
Peak:m/z	Relative Intensity
52.46431	2.2
55.01870	17.6
55.05504	4.7
57.03430	2.1
67.05500	5.8
69.03424	5.9
69.07062	8.0
69.26655	24.1
70.06586	3.1
71.04996	4.3
72.23949	1.9
73.02914	98.8
77.32703	1.9
79.05488	9.0
81.03421	6.3
81.07058	17.6
83.04982	3.2
85.02905	7.9
85.06531	3.4
86.09704	5.5
91.03938	3.3
91.05493	8.9
93.07037	9.6
95.04966	8.6
95.08607	6.8
97.02899	4.9
97.06505	3.4
97.10191	2.4
98.20779	4.2
98.97558	5.2
103.05486	2.6
104.47802	2.1
105.07043	10.0
107.04948	4.5
107.08604	10.5
109.06533	8.3
109.10182	10.6
111.08084	2.8
116.98613	2.5
119.04920	3.3
119.08588	3.5
121.06507	9.0
121.10134	5.1
122.03656	3.5
123.07979	2.5
123.11680	3.1
125.09638	6.7
131.04918	4.5
133.06490	3.4
133.10103	2.9
135.08067	6.4
135.11678	3.8
137.05974	99.0
137.09598	2.7
141.07043	3.0
145.10115	2.8
146.03650	4.3
147.04369	3.2
149.05980	21.8
149.13177	2.5
151.03900	4.3
151.07547	8.3
151.11136	2.6
152.06161	4.2
153.07040	5.5
161.05971	60.0
163.07445	2.3
165.05629	4.4
165.07016	13.9
167.07092	4.5
167.08528	4.3
169.06635	2.5
175.07622	3.3
177.05548	5.0
177.09100	4.8
177.10982	2.9
179.07039	3.4
179.08479	3.7
180.05717	6.3
181.06427	13.3
182.07327	5.8
189.05553	2.8
191.05200	3.2
191.07034	11.4
193.06509	7.8
194.07233	9.1
195.08089	5.3
195.12163	2.5
196.05301	2.3
197.06001	8.2
198.06773	2.6
203.07011	3.3
205.05048	2.8
207.08057	3.1
208.05171	10.3
209.06079	4.7
209.08109	8.3
210.06754	17.9
211.07564	12.5
212.08333	4.9
213.09081	8.7
219.04295	2.9
219.07947	3.2
221.06012	14.3
222.06758	12.4
223.07565	6.4
224.08322	4.4
225.05469	7.1
225.09058	18.3
233.08052	9.6
236.04695	9.7
236.08258	2.3
237.03024	3.1
237.05415	4.1
238.06299	8.6
239.06992	6.5
240.07785	12.6
241.08635	9.4
251.07056	11.9
252.07977	3.1
253.04959	4.0
253.08582	93.9
254.09293	4.4
255.06911	2.6
258.08884	9.4
263.06870	2.3
265.08527	4.7
267.10242	4.5
268.07352	9.2
269.08109	5.8
270.08875	39.7
273.11194	50.2
277.08539	4.9
279.06543	9.7
281.07779	2.9
283.09790	5.8
284.10324	5.0
285.11182	71.6
295.09616	8.1
297.11206	4.4
299.09137	22.4
300.06213	2.7
307.10367	2.5
309.11282	2.3
311.09155	41.8
311.12637	4.3
315.08636	27.0
325.10724	32.0
327.12357	5.4
329.10129	4.1
339.12262	14.5
345.13281	35.9
357.13309	100.0
375.14340	72.0
375.19717	39.8
376.14615	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	374.3418
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56544	0.3
57.07072	1.4
65.03938	2.4
67.05514	0.5
69.07074	0.4
70.75860	1.0
71.08624	0.9
73.21002	0.3
81.07047	0.6
91.05484	100.0
92.05835	1.9
95.08625	0.8
97.10178	0.5
109.10168	0.5
111.54541	0.3
123.11675	0.4
127.90307	0.4
137.13367	0.4
206.33150	0.3
228.24750	0.3
262.51385	0.3
267.26965	0.4
340.56171	0.3
354.50711	0.4
374.34186	54.5
375.34512	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0922
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
55.01863	0.6
57.03441	0.4
61.02912	0.4
66.03207	0.2
66.82211	0.2
68.99798	0.2
69.03431	2.3
70.03056	0.8
70.03428	0.3
70.06597	0.2
71.04997	0.3
72.08145	0.5
73.02919	0.8
81.03419	3.1
84.08147	0.2
85.02903	4.5
86.09707	1.2
87.00826	1.8
91.03886	0.2
91.05505	0.2
95.43826	0.2
97.02892	1.5
98.97614	0.2
99.04431	1.0
104.30772	0.2
105.01849	1.2
105.02465	0.2
107.08585	0.2
109.02866	2.9
116.98669	0.2
117.01853	0.4
127.03912	100.0
128.04216	0.8
129.01823	0.3
145.04993	1.1
146.03128	0.2
159.02873	1.5
169.13402	0.2
177.00621	0.3
177.03853	0.2
211.35646	0.2
213.04063	0.2
213.11142	0.6
228.63377	0.2
231.05069	0.6
237.02913	0.3
239.35701	0.2
256.60944	0.3
315.26227	0.2
331.13580	0.3
375.12457	1.2
375.16495	0.4
375.23550	0.8
377.21127	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62808	12.4
55.05498	44.2
56.96547	21.2
59.17365	12.3
66.62250	13.4
67.05505	98.2
69.07081	33.3
71.04991	97.6
71.59658	16.5
71.60081	19.8
79.05489	52.8
81.07063	100.0
83.08607	31.7
89.20592	13.5
91.05478	37.4
93.07046	61.2
95.08604	38.4
97.06563	20.8
97.10175	41.7
105.07020	39.1
107.08589	54.1
109.10161	56.5
117.06992	16.7
119.08560	28.8
121.10133	29.8
125.09622	31.3
125.91673	14.0
131.08543	17.1
133.10107	17.0
135.11690	23.3
137.24487	13.0
147.11734	25.9
153.12746	17.4
159.11722	40.3
163.82373	14.0
173.11736	83.4
177.12605	24.5
187.13307	76.2
192.95610	13.6
203.12842	31.2
209.15329	17.4
241.18057	67.7
241.91954	13.5
257.18991	17.5
275.20056	55.1
289.21735	22.2
296.27206	14.2
297.28610	17.4
351.18494	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	374.29
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02087	6.3
55.05498	16.5
56.96559	5.7
67.05507	33.9
69.07052	17.9
71.04978	22.5
77.00894	7.6
79.05477	23.0
81.07059	34.0
83.08623	11.7
91.05471	22.1
93.07030	29.1
95.01926	7.1
95.04965	7.9
95.08609	24.5
97.06532	10.3
97.10178	14.3
101.06020	10.0
102.86128	4.7
105.07011	24.2
107.04920	4.9
107.08591	34.7
108.85375	5.1
109.06548	7.8
109.10142	30.8
113.46009	4.5
119.08610	26.3
121.10170	12.6
123.08067	6.3
123.11714	5.8
125.09631	19.4
129.01836	5.1
133.10127	14.1
135.08041	15.2
135.11670	11.3
144.02661	5.6
145.10109	12.3
159.11665	11.1
173.11746	18.3
177.12732	6.6
185.06581	19.0
187.13321	21.5
189.51195	5.8
203.07619	12.9
203.12796	16.2
225.13037	6.7
229.19576	7.4
241.18015	10.5
243.14378	43.1
247.20677	5.4
257.12665	6.2
257.19046	9.7
261.15482	14.5
263.11420	10.4
266.16367	7.3
275.19989	23.1
281.12274	7.9
288.47797	6.7
289.21539	12.9
307.22348	6.1
309.65448	4.8
333.19040	16.9
351.20227	100.0
352.20511	9.1
374.21585	20.5
374.32428	8.2
375.21799	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	374.2285
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70974	0.4
53.03954	0.3
53.78430	0.3
55.01878	0.7
55.05512	0.7
56.05032	0.4
56.96566	0.9
57.03434	0.8
61.02916	1.1
67.05496	0.8
69.03430	3.4
69.07064	1.3
70.03769	0.6
70.06590	3.3
71.04996	0.7
71.59365	0.4
72.08150	1.3
73.02920	1.5
79.05508	0.4
81.01997	0.3
81.03422	1.4
81.07079	0.8
83.04982	0.5
84.04504	2.5
84.08144	1.8
85.02903	7.8
86.09708	100.0
87.04471	0.9
87.10048	1.3
91.05488	1.0
93.07044	1.4
95.04987	0.6
95.08611	1.0
96.08131	0.5
97.02905	3.1
97.06517	0.7
98.97559	1.9
99.04452	0.8
102.05531	1.8
103.50179	0.4
105.07027	1.5
107.04996	0.9
107.08598	1.3
109.02879	0.8
109.06532	0.7
109.10160	0.5
110.09681	0.5
114.08056	0.4
116.98634	1.6
117.03349	1.7
119.08578	0.9
120.08109	0.5
121.10159	0.7
123.08147	0.4
124.07618	0.5
127.03928	2.8
128.98636	0.7
129.10220	0.5
130.04988	2.2
131.08574	1.1
133.10135	1.2
134.99660	0.7
135.04414	0.5
135.08142	0.5
135.11761	0.5
136.12094	0.4
137.05994	3.6
138.09138	1.6
145.02841	6.2
145.04944	1.3
146.99666	0.8
147.11694	0.5
148.06056	8.9
148.07440	0.6
149.05984	2.2
149.09669	0.8
151.03961	0.4
151.07594	0.6
151.11203	0.4
153.05367	0.4
158.07973	0.4
161.01190	0.4
161.06012	1.4
162.06563	0.4
163.03893	0.6
166.08713	1.7
166.14307	0.3
167.07063	0.6
168.10258	1.1
173.13312	0.9
176.07100	0.6
176.10701	0.9
177.00677	0.9
177.05478	15.2
177.09126	1.2
178.05907	0.8
180.43828	0.4
191.14386	0.9
192.14648	0.4
194.08096	2.5
194.11823	1.6
195.06523	6.9
195.08165	0.4
199.18063	30.4
200.18372	0.4
212.09282	0.5
212.12810	3.0
213.09422	0.6
213.11130	1.9
214.08629	0.4
215.05829	0.4
217.12119	0.4
219.01912	0.7
227.17548	22.5
228.17876	0.5
234.99107	0.5
237.02846	1.5
253.08717	0.6
261.14471	8.1
268.72208	0.4
273.11295	1.1
293.13440	0.4
320.87790	0.4
329.10712	0.8
331.04684	0.6
331.13766	0.6
359.10095	0.9
374.14612	0.8
374.18765	0.9
374.22940	2.3
374.27539	0.5
375.12473	2.1
375.16373	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	374.2003
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	29.9
67.05474	0.6
70.34467	2.1
70.59888	0.6
71.95273	4.3
72.96030	1.3
74.97613	2.6
81.07050	0.5
83.08618	0.5
84.96044	1.5
89.75686	0.5
91.05502	0.6
92.98631	1.0
97.96809	1.4
98.97581	0.9
105.00159	0.5
110.96905	0.5
110.97562	3.0
115.97834	2.0
117.47662	0.7
117.99367	0.6
123.01168	1.0
128.98604	9.9
129.09160	1.2
133.98846	1.6
134.99680	1.1
137.02744	0.9
146.99655	19.3
147.03345	0.7
149.01231	0.7
152.00169	1.1
155.03809	1.4
161.01231	3.7
161.04851	1.1
163.80112	0.5
165.00726	5.8
167.03810	0.6
167.14034	0.5
169.05310	1.4
170.01274	2.8
171.03291	1.5
175.02707	1.4
179.02306	2.2
185.04823	0.8
187.02724	0.7
188.02368	0.8
189.04362	2.4
190.05222	0.9
193.03833	0.7
199.06456	0.6
203.05908	2.2
208.06374	1.0
217.07336	0.7
227.09566	0.8
236.05609	0.7
241.11119	1.8
245.10733	0.8
252.10318	2.1
259.12225	2.0
263.09561	5.2
264.10245	1.1
270.11362	1.5
277.11087	0.7
281.10590	2.4
282.11340	0.6
286.11069	0.9
303.12668	2.7
315.16287	39.4
316.16623	1.4
321.13751	1.0
326.14044	0.7
331.15765	3.0
333.17368	100.0
334.17746	4.7
337.41876	0.6
349.16760	0.7
351.18427	46.9
352.18790	2.2
356.18964	30.6
357.19302	2.5
369.19501	1.4
374.20074	11.6
374.32663	0.7
397.21579	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	374.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.5
56.05019	1.1
57.03435	1.4
61.02905	1.9
65.95686	1.0
68.58841	1.1
69.03424	6.5
69.07047	1.5
70.06578	3.9
71.04986	2.3
71.14021	2.1
71.14356	1.2
72.08130	2.2
77.06319	1.1
79.05484	2.2
81.03410	1.8
81.07059	2.3
83.04998	1.4
84.08149	2.1
85.02909	20.3
85.06515	1.1
86.09698	2.7
89.03905	3.9
91.03965	1.2
91.05485	2.2
93.07060	1.0
95.08581	1.5
96.08087	1.2
97.02885	6.4
98.97578	2.5
105.07016	1.3
107.08558	2.3
109.02835	1.9
109.10152	2.6
111.08045	1.5
116.98630	2.7
117.03381	15.4
119.08604	1.5
121.10154	1.9
123.08053	1.1
127.03909	5.3
131.08554	1.4
133.10114	1.4
134.06015	1.7
135.04440	2.5
145.02846	46.9
145.04787	5.2
146.06299	1.1
149.05971	8.7
152.07065	14.3
158.99628	1.2
162.42262	1.1
163.03893	3.9
175.14850	1.4
177.05467	100.0
178.05765	2.4
180.08624	2.6
186.05492	1.7
189.12953	1.0
194.08127	15.2
195.06531	56.6
212.09134	1.8
237.02849	1.4
248.85670	1.3
258.63354	1.1
358.08264	1.3
364.64185	1.6
373.64853	5.5
374.14313	1.9
374.18414	5.3
374.22913	3.2
374.65128	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	374.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85675	0.3
53.03943	0.7
53.35823	0.4
55.01871	0.7
55.05499	0.5
56.96549	0.9
57.03424	1.2
61.02924	2.2
61.68585	0.4
63.02052	0.4
63.02360	0.5
67.05502	0.7
69.03430	4.9
70.06570	1.2
71.00139	0.6
71.00488	0.9
71.04977	1.5
72.08139	0.8
73.02903	1.2
79.05477	1.0
81.03416	1.9
81.07059	0.8
84.04482	0.7
84.08121	1.3
85.02903	19.5
86.09697	1.8
86.78848	0.4
87.04453	1.0
89.03920	4.3
91.03945	1.5
91.05466	1.4
93.07027	0.5
94.06551	0.5
95.04984	0.6
95.08589	0.5
96.08131	2.2
97.02893	5.3
97.65173	0.4
98.97575	1.7
99.04456	1.2
100.04761	0.4
105.07018	0.8
107.07368	0.5
107.08595	0.8
109.02885	1.8
116.98618	1.2
117.03376	12.7
120.08109	1.1
122.09647	1.2
124.07576	0.6
125.06008	0.7
127.03912	3.8
129.10222	0.8
134.03610	0.9
134.06020	3.6
134.99651	0.4
135.04402	2.2
145.02844	43.6
145.04747	4.8
146.03232	0.5
146.99634	0.6
148.07533	1.0
149.05971	7.1
152.07062	27.2
153.05501	0.7
162.03171	0.5
162.07613	0.5
163.03923	3.3
166.08643	0.7
170.99561	0.5
177.05467	100.0
178.05807	2.8
180.08693	2.5
186.05449	0.9
188.54886	0.5
194.08125	32.2
195.06531	62.0
196.06940	1.9
212.09138	3.1
219.01762	0.7
237.02855	1.7
254.85884	0.4
255.10800	0.5
283.09653	0.4
283.61581	0.4
321.08447	1.1
358.08026	0.9
364.64322	1.1
373.64899	1.3
374.18494	2.4
374.22696	0.6
381.09930	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76511	1.0
53.03931	2.2
55.00462	1.1
55.01878	2.4
56.96552	1.1
57.03435	3.4
61.02918	2.5
67.05505	5.0
67.18103	1.0
69.03427	13.2
69.07062	3.7
69.62717	7.0
69.63129	1.6
70.06589	4.0
71.04983	3.4
72.08147	4.3
73.02910	1.4
74.06055	1.3
75.04404	1.0
79.05482	4.5
81.03427	8.5
81.07051	4.6
82.59916	1.3
83.04987	1.7
84.04504	23.3
84.08139	3.1
85.02430	2.0
85.02905	27.4
86.09708	100.0
87.00352	1.0
87.00815	6.7
87.04439	2.0
87.10027	1.9
91.03986	1.2
91.05479	48.0
93.07043	4.2
95.04968	3.4
95.08572	2.9
96.04482	1.1
96.08076	0.9
97.02882	9.6
97.06512	1.4
99.04444	4.1
99.08088	2.9
102.05550	11.1
105.01856	14.6
105.07026	4.8
107.04920	1.3
107.08566	6.5
108.04479	1.7
109.02876	7.7
109.06516	3.2
109.10130	3.5
110.10471	1.5
111.09208	1.2
113.07096	2.0
114.09149	2.3
119.08598	2.2
120.08086	1.3
121.10149	4.1
123.11726	1.7
124.07597	2.7
127.03918	16.0
129.06628	2.5
131.08559	4.9
132.10202	32.2
133.10114	2.6
135.11708	2.3
136.07509	1.3
137.05972	5.7
138.09058	2.3
139.08661	10.9
141.06607	2.0
145.04996	9.2
145.06102	1.5
145.10164	1.1
148.11214	4.5
149.09633	3.9
151.03876	7.5
151.11195	1.2
152.10701	4.9
157.06499	2.0
157.07616	1.5
159.02911	3.2
161.01138	1.1
161.66310	1.1
163.08710	1.6
166.12280	5.0
167.08170	2.5
170.11816	2.7
175.07562	1.6
176.10707	26.7
177.09109	19.8
178.12227	1.6
181.09731	5.1
189.04025	1.9
194.11763	33.1
197.12895	13.6
209.09294	3.2
212.12801	16.0
212.16360	2.7
215.13907	27.6
225.12325	6.2
231.05048	4.0
233.14928	2.1
236.41643	1.0
243.13452	11.5
245.18581	3.0
248.07741	1.2
248.64272	1.1
284.32031	1.2
374.17773	4.0
374.22183	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27219	2.8
55.01863	12.2
55.05515	34.5
56.96556	6.1
57.03431	4.4
57.07070	5.3
59.04985	6.2
66.48267	3.3
67.05508	35.0
69.03418	14.4
69.06721	3.9
69.07071	43.5
71.04993	9.2
71.19317	3.0
71.60745	6.8
71.61129	4.9
79.05491	17.8
81.02905	2.5
81.03425	8.7
81.07066	86.6
83.05003	18.4
83.08624	11.0
84.08125	4.2
85.02887	10.7
85.06538	16.2
86.09711	52.4
87.05589	4.4
87.52310	2.9
91.05473	14.1
93.07060	47.2
94.51661	2.7
95.04976	15.4
95.08618	59.4
96.08115	4.5
97.02912	4.2
97.06539	21.9
97.10178	49.1
98.02415	5.6
98.38876	3.6
98.97565	4.8
99.04471	3.5
99.08086	8.2
100.11224	4.7
101.06027	6.0
105.07041	23.2
107.04967	6.9
107.08614	47.8
109.06531	15.4
109.09471	4.2
109.10173	64.3
111.08086	100.0
111.11706	7.0
116.98585	6.9
117.07020	4.6
119.08604	20.3
121.06533	3.9
121.10151	29.3
123.08066	5.4
123.11707	33.0
125.09634	17.9
127.03905	4.6
131.08577	8.4
133.10123	23.5
135.08049	7.7
135.11726	24.0
137.06021	7.4
137.09637	21.9
137.13239	6.9
138.09122	4.1
139.07501	6.0
139.11205	21.6
141.10220	7.7
143.10641	10.6
145.10120	13.1
146.11775	6.1
147.08052	3.7
147.11679	16.8
149.09669	8.2
149.13231	9.4
151.11177	13.8
152.43341	3.5
153.12750	32.6
155.10622	5.6
155.11809	9.0
157.12245	7.0
159.11685	11.8
161.13242	7.0
163.11217	9.1
163.14789	4.1
165.09120	13.4
165.12799	16.1
167.07060	13.6
167.10724	3.4
169.12297	3.8
171.13850	5.2
173.01466	3.4
173.13225	5.7
175.14818	10.3
177.12782	4.7
181.12225	12.6
182.12790	3.4
183.11446	6.3
184.08476	3.4
187.07640	4.7
189.11240	4.4
191.07054	3.3
193.15901	5.9
200.13957	36.9
201.11217	4.8
203.14339	3.7
211.16908	13.5
212.16553	5.0
228.13419	13.6
237.18637	3.8
249.18459	4.5
264.47827	3.5
273.22058	6.1
289.21591	4.3
291.23212	16.1
301.21613	9.2
307.22745	5.0
319.22745	43.0
325.23953	6.0
337.23776	89.8
355.24698	12.3
363.38776	3.4
364.71848	12.1
373.13962	16.9
373.18958	17.0
374.21777	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	373.2585
Annotation	8,8a-Deoxyoleandolide
Peak:m/z	Relative Intensity
53.03948	6.0
54.46081	2.2
55.01867	7.0
55.05513	30.9
57.03427	6.4
57.07077	7.1
59.05001	4.3
65.03919	3.2
67.05508	52.0
69.03430	27.7
69.07069	28.0
69.98436	9.5
69.98845	4.7
71.05003	18.3
73.06567	3.2
75.82865	2.3
79.05497	24.7
81.03425	42.4
81.07060	100.0
83.04966	18.4
83.08625	19.2
85.02901	13.0
85.06547	30.5
86.09697	5.8
91.05476	24.5
93.07047	48.9
95.04975	27.2
95.08608	85.1
96.05270	2.9
97.02888	9.2
97.06528	17.4
97.10168	23.9
99.04447	10.0
99.08112	10.3
101.06007	7.4
103.05479	3.2
105.07028	29.2
107.04963	8.4
107.08601	55.5
109.02877	10.2
109.06531	13.9
109.10159	71.9
111.04430	4.6
111.08070	30.4
112.13333	2.4
113.06041	4.5
113.09660	5.6
115.05456	2.8
117.07017	4.9
119.08587	27.6
121.10147	37.7
123.08053	8.5
123.11706	41.7
125.05992	4.0
125.09663	23.7
127.03951	13.2
129.07051	5.5
129.09102	6.8
131.08583	8.8
133.06450	3.2
133.10133	23.4
135.08078	8.2
135.11719	21.2
137.06020	3.1
137.09618	30.1
137.13243	12.7
139.07542	3.0
139.11200	13.0
141.09105	8.0
142.07721	2.6
143.07161	3.2
143.10669	7.2
145.10120	8.0
147.08025	4.4
147.11720	18.4
149.09657	7.8
149.13277	8.3
151.07588	3.4
151.11143	12.3
153.09137	3.1
153.12712	18.7
155.10652	8.8
157.08656	4.9
157.10141	8.8
157.12207	4.2
159.11697	8.6
161.09604	3.5
161.13284	8.2
163.11209	6.0
165.09125	34.4
165.12730	15.4
167.07072	9.2
167.14325	8.6
169.12228	2.7
171.11710	3.3
173.06075	2.5
173.13254	5.3
175.11183	6.4
175.14856	4.5
179.14302	2.9
181.12202	3.7
183.10133	4.7
185.11691	3.3
187.09656	4.4
189.11293	2.5
193.12254	22.9
193.15889	6.0
199.14743	6.2
201.11221	10.9
211.13260	35.7
211.16858	5.0
221.15416	5.6
237.14980	2.9
239.16592	3.2
255.20967	2.9
267.16013	4.9
273.22247	3.7
291.23111	11.4
301.21649	11.4
307.22708	7.2
309.24286	7.6
313.11438	5.2
319.22668	31.7
320.23193	3.1
325.23819	7.4
337.23752	73.6
338.24014	5.2
355.24823	27.7
373.13715	13.6
373.18265	5.3
373.27032	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	373.2587
Annotation	19(R)-hydroxy-PGF1alpha
Peak:m/z	Relative Intensity
55.01863	8.8
55.05508	34.9
56.96565	16.0
57.03429	4.7
57.07060	6.9
59.04984	7.3
62.99406	3.6
67.05506	38.0
67.39427	3.7
69.03431	19.5
69.07071	52.4
70.06599	4.6
70.79339	9.9
71.04984	17.9
74.06079	4.6
79.05486	27.8
81.03415	7.1
81.07063	100.0
83.04984	12.8
83.08626	15.8
84.08141	14.7
84.81710	3.5
85.02901	6.6
85.06551	11.4
86.09679	5.9
91.05453	24.9
93.07043	64.0
95.04967	21.0
95.08604	65.5
97.02873	7.9
97.06538	54.8
97.10173	41.6
98.21425	3.5
99.08079	7.2
105.07044	32.8
107.08594	60.4
109.02871	7.8
109.06519	12.1
109.10165	61.3
111.04451	4.9
111.08086	13.7
111.11704	10.2
111.14807	3.6
113.06030	3.9
117.07058	12.0
119.08582	26.6
121.06512	8.8
121.10133	49.2
122.05984	4.0
123.08068	8.8
123.11695	30.6
125.05960	5.5
125.09620	7.9
127.03947	4.1
127.11208	5.4
129.07014	6.5
131.08621	5.1
133.10120	23.6
135.08058	14.5
135.11687	34.0
137.05989	7.0
137.09639	12.5
137.13242	25.1
139.11169	24.0
143.08554	4.9
143.10622	6.7
145.10149	16.9
147.04410	4.6
147.11702	21.7
149.09558	6.8
149.13275	14.4
151.07596	19.4
151.11197	17.7
153.12767	14.5
155.10620	7.5
157.10146	7.6
157.12231	7.2
159.11650	17.3
161.09615	5.1
161.13336	7.3
163.11208	15.3
163.14784	7.0
165.09167	9.6
165.12769	11.0
167.10725	8.9
169.10139	3.7
171.11661	4.4
173.06027	6.9
173.09622	4.5
173.13268	5.6
175.11186	5.0
175.14813	8.1
177.12761	4.1
181.12253	17.5
184.07178	4.1
191.10701	5.8
191.14404	4.3
193.12286	8.2
193.15796	4.6
195.13803	6.1
197.13271	4.3
199.13148	4.0
203.14417	4.7
210.02063	4.8
211.07758	3.7
212.16451	4.5
213.05510	5.1
245.08504	4.2
259.08640	4.6
269.13596	8.4
273.22144	5.7
275.20081	5.1
283.20523	6.4
285.10501	5.9
289.07339	9.7
290.07510	3.9
291.23138	8.4
292.99695	3.8
301.09940	3.5
301.21597	37.3
305.06985	4.5
307.22562	4.6
311.12912	4.6
319.22763	30.6
319.26126	6.1
327.16116	3.4
329.13739	5.1
333.06403	13.5
337.23825	22.4
351.07599	17.2
355.15390	10.6
369.08755	11.9
373.16602	15.6
374.18118	4.6
374.22507	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	373.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	32.2
56.96569	33.2
62.70847	10.9
67.05513	69.4
69.03434	15.6
69.07059	43.9
71.04995	14.0
71.59921	11.0
79.05488	48.3
81.07070	78.7
83.04994	17.4
83.08639	13.8
83.89151	10.2
87.04452	31.6
91.05482	81.2
93.07041	80.1
95.04965	63.1
95.08617	42.1
97.06532	37.9
105.07059	100.0
107.08594	49.6
109.06502	35.4
109.10150	32.4
117.07041	26.1
119.08578	95.0
121.06488	12.3
121.10168	25.7
128.06268	21.2
129.07005	26.7
131.08577	44.9
133.10133	62.6
135.11671	17.1
141.07071	11.7
142.07776	36.5
143.08565	41.5
145.10123	45.4
147.11757	21.2
155.08582	19.6
156.09344	12.4
157.10120	71.9
159.11681	27.0
167.08551	22.9
169.10153	33.6
171.11723	21.6
173.13280	20.4
179.08580	27.9
181.10175	24.0
182.10930	26.3
183.11600	21.7
193.10181	34.4
193.12433	11.5
195.11739	19.4
197.13297	31.9
199.14804	16.1
205.10185	13.8
206.10898	20.6
207.11671	47.6
208.12575	13.7
211.14865	16.9
220.12335	11.7
221.13208	34.0
223.14870	18.1
237.16348	16.3
247.14746	15.1
249.16360	17.4
251.18019	16.1
260.15500	13.5
261.16663	17.2
273.16193	13.2
276.85428	13.3
315.16879	12.3
319.64999	11.6
333.17239	28.3
351.18527	21.9
373.18008	13.1
373.25235	94.6
373.31488	32.9
374.18536	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	373.1834
Annotation	Pro Trp Ala
Peak:m/z	Relative Intensity
53.03921	0.4
55.05497	0.9
57.03426	0.5
67.05470	0.7
69.03423	0.7
69.07050	1.0
69.67791	2.9
70.06571	1.3
72.08156	2.2
79.05471	1.0
81.03405	0.5
81.07042	1.9
83.04949	0.8
84.04520	0.4
84.08131	1.8
85.02876	1.0
86.09219	0.5
86.09702	6.5
91.05470	0.7
93.07048	1.1
95.04939	0.5
95.08624	1.0
97.02876	0.8
98.20682	0.4
99.04479	0.5
103.05460	0.4
105.07027	0.9
107.04957	0.5
107.08593	0.6
109.10127	1.0
111.08082	1.1
116.98615	0.4
119.08572	0.7
120.61664	0.4
121.10144	0.6
124.07585	1.7
129.10229	0.9
133.10075	0.6
137.05956	1.0
143.11835	1.0
149.09616	0.4
151.11124	0.5
167.07036	1.7
167.10423	0.7
171.11308	0.6
203.13927	0.6
211.13187	1.1
212.12807	1.2
300.06409	0.5
309.63724	0.4
325.10922	0.6
329.15735	4.8
373.18323	100.0
374.18610	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	373.1833
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.0
56.05028	1.0
56.96557	1.0
57.03436	0.8
57.07057	0.4
61.43568	0.4
67.05493	0.8
67.69094	0.4
69.03436	2.3
69.07051	1.3
70.06592	7.9
71.04991	0.9
71.06932	0.5
71.42847	0.7
72.08154	5.2
77.37057	0.5
79.05484	0.5
81.03401	0.9
81.07045	1.5
83.04977	0.9
83.42068	0.4
84.04520	0.6
84.08139	12.3
85.02906	4.3
85.06531	0.7
86.09708	7.9
87.20244	0.4
91.05448	0.9
93.07028	1.2
95.04955	1.0
95.08595	0.6
97.02887	1.7
98.97588	1.1
99.04438	0.7
103.05450	0.5
105.07003	0.7
107.08566	1.2
108.14981	0.4
109.06468	0.7
109.10131	1.4
111.08118	0.5
115.04012	0.4
116.98605	0.8
117.03394	1.1
118.06850	1.0
119.08575	1.0
119.17652	0.4
120.08100	0.4
121.10138	0.9
122.06051	0.6
123.08060	0.5
127.03916	1.4
128.53035	0.4
129.09331	0.7
129.10243	6.7
133.06578	0.6
133.10115	1.5
134.99628	0.5
135.08072	0.6
135.11626	0.9
137.05966	1.1
137.09566	0.8
145.02855	4.3
145.04988	0.7
146.05971	0.5
147.07947	0.4
148.07542	1.2
149.06050	0.7
151.03931	0.4
157.06270	0.5
157.13327	0.7
158.99629	0.5
161.09277	0.5
166.08821	0.5
171.11263	0.6
173.13268	0.9
177.00716	0.7
177.05453	12.3
181.04913	0.6
185.12863	1.4
189.12344	1.4
191.14287	0.8
193.12074	3.3
193.15846	0.7
194.08168	1.2
194.11642	0.6
195.06511	7.6
195.08217	0.5
195.13580	3.9
197.16542	0.7
199.17973	0.4
201.03677	4.7
201.05374	0.7
203.05246	6.8
209.15472	0.5
211.09492	0.5
217.11784	0.8
237.02885	0.9
242.18585	0.9
253.12730	0.8
271.04819	0.6
271.12094	0.7
373.14844	4.0
373.18332	100.0
374.18738	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	373.1834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.4
55.05497	0.9
57.03426	0.5
67.05470	0.7
69.03423	0.7
69.07050	1.0
69.67791	2.9
70.06571	1.3
72.08156	2.2
79.05471	1.0
81.03405	0.5
81.07042	1.9
83.04949	0.8
84.04520	0.4
84.08131	1.8
85.02876	1.0
86.09219	0.5
86.09702	6.5
91.05470	0.7
93.07048	1.1
95.04939	0.5
95.08624	1.0
97.02876	0.8
98.20682	0.4
99.04479	0.5
103.05460	0.4
105.07027	0.9
107.04957	0.5
107.08593	0.6
109.10127	1.0
111.08082	1.1
116.98615	0.4
119.08572	0.7
120.61664	0.4
121.10144	0.6
124.07585	1.7
129.10229	0.9
133.10075	0.6
137.05956	1.0
143.11835	1.0
149.09616	0.4
151.11124	0.5
167.07036	1.7
167.10423	0.7
171.11308	0.6
203.13927	0.6
211.13187	1.1
212.12807	1.2
300.06409	0.5
309.63724	0.4
325.10922	0.6
329.15735	4.8
373.18323	100.0
374.18610	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	372.1847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
56.96568	7.2
64.56441	0.4
65.33083	0.4
67.05481	0.4
70.02071	0.4
71.95223	0.9
81.07017	0.6
87.04453	0.6
88.07636	0.5
93.07030	0.6
98.97517	0.7
102.09104	0.4
110.97617	0.6
116.98609	0.8
128.98563	1.7
134.99614	0.8
146.99654	2.4
149.01114	0.6
155.03790	0.6
157.01636	0.4
161.01228	0.9
165.00743	0.7
169.01646	0.4
170.01128	0.6
171.03253	1.5
175.02757	0.5
185.04872	2.2
187.02777	0.5
189.04332	1.2
194.04991	0.6
199.06406	3.1
201.04247	0.6
203.05919	4.9
211.06262	0.8
215.05785	0.6
217.04109	1.9
217.07460	6.1
219.03473	0.4
221.06934	1.1
223.02774	1.6
223.06412	0.7
223.08481	0.8
226.05086	1.1
226.07353	0.5
231.06860	0.7
235.08531	0.5
237.04356	3.3
237.07973	0.6
239.09377	1.1
243.08897	0.6
249.07980	1.0
252.06689	0.8
253.11052	1.0
255.05269	1.1
262.08615	0.9
267.09033	2.0
269.06998	0.5
279.08994	0.7
280.09726	2.3
285.10095	1.1
297.10001	0.7
298.10867	1.9
303.07770	0.7
303.11221	0.6
307.15817	1.7
310.31024	0.9
325.16852	0.9
331.15686	18.0
341.00201	0.6
349.16840	100.0
350.17157	3.6
354.18863	0.6
365.87061	0.5
367.17978	4.5
372.10846	0.9
372.18451	25.4
372.34561	3.0
373.18677	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	371.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	4.2
55.05506	19.7
57.07061	9.9
67.05495	35.3
69.03419	8.4
69.07068	21.9
69.91811	22.1
79.05489	25.6
81.03418	6.2
81.07057	32.8
83.04967	10.9
83.08616	11.3
91.05467	34.6
93.07039	100.0
95.04958	10.6
95.08604	53.5
97.06512	15.9
97.10152	9.5
101.06004	7.7
105.07024	55.0
107.08592	42.1
109.06493	7.7
109.10140	39.1
111.08099	4.3
117.07011	14.3
119.08575	63.5
121.06490	6.5
121.10123	33.2
123.08046	6.4
123.11707	12.0
123.71782	4.1
125.09629	5.6
129.05490	6.1
129.06999	4.6
130.07802	4.1
131.08572	32.5
133.10127	54.3
135.08051	12.0
135.11688	17.2
137.09645	7.5
139.07520	64.1
141.09097	4.2
142.07779	9.2
143.08537	26.0
145.10121	45.9
147.06548	4.7
147.08043	6.5
147.11694	17.9
149.09596	14.2
149.13258	10.7
155.08565	11.2
156.09337	9.1
157.10101	37.9
159.11710	33.8
161.09628	8.7
161.13222	11.7
163.11174	6.4
165.09077	5.8
167.08537	6.7
169.10103	9.8
171.11681	16.3
173.13289	17.6
173.80136	4.2
175.14821	16.4
181.10121	6.4
183.11699	11.7
185.13234	15.4
187.11162	6.8
187.14835	23.6
189.16313	5.8
195.11711	8.7
197.13313	9.2
199.14850	7.8
201.16443	6.7
209.13321	6.8
213.12732	10.9
223.14832	5.7
265.19519	6.8
353.24646	13.8
361.44171	4.7
371.25485	14.8
380.45599	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	371.2067
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.38236	0.7
53.07641	0.8
55.05511	2.8
57.03433	1.7
57.07079	1.4
63.15352	0.8
64.70004	0.7
65.04005	1.1
67.05505	4.8
68.38467	0.8
68.64576	0.8
69.03425	7.1
69.07076	3.1
69.90934	4.8
71.04992	1.5
73.02940	1.1
74.90895	0.9
79.05505	5.0
81.07061	9.5
83.05000	1.0
83.08665	1.0
85.02918	3.6
85.06560	1.0
89.06037	0.8
91.05489	6.0
93.07040	5.5
95.04975	3.5
95.08600	4.6
97.02872	1.3
97.06574	1.2
105.07040	7.5
107.04935	2.6
107.08600	20.6
109.06514	7.5
109.10179	7.8
115.05463	1.4
117.07047	1.9
119.08620	4.2
121.06515	1.8
121.10158	14.2
122.07264	3.1
123.08089	2.6
123.11684	0.9
125.09586	1.1
131.08551	2.6
133.10136	100.0
134.10490	3.0
135.08060	11.4
135.11713	2.9
137.05981	1.2
137.09624	54.4
138.10025	1.3
139.11198	0.9
143.08559	1.2
145.05009	1.0
145.10147	1.4
147.11687	2.3
149.09621	1.9
149.13266	12.8
150.13724	0.7
151.11211	1.9
157.10150	1.5
158.10863	1.3
163.14804	4.1
167.07050	4.2
173.13278	5.7
191.14323	42.3
192.14699	1.7
193.08777	0.9
209.15352	9.2
217.08679	2.3
219.07956	1.4
237.10139	1.8
247.07333	1.3
261.09213	0.9
263.06955	1.1
264.07849	1.3
265.09726	1.1
279.10132	1.5
307.09650	2.0
317.21243	1.1
339.12125	1.8
353.13171	1.7
371.11801	1.3
371.15756	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	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.1
55.05510	8.8
57.03438	3.1
67.00897	1.6
67.05506	15.8
69.03437	17.8
69.07073	14.4
70.06576	4.0
70.93367	4.9
71.04993	5.0
79.05482	10.3
81.03404	4.4
81.07067	27.9
81.84307	1.8
83.04977	16.1
83.08625	4.4
85.02901	18.9
85.06524	5.6
91.05441	8.8
93.07052	21.1
95.04977	11.1
95.08613	32.7
97.02898	5.8
97.06527	7.9
99.04475	3.2
99.08090	7.9
105.07029	15.3
107.04955	5.4
107.08601	46.3
109.06506	12.6
109.10156	27.2
111.04467	3.2
111.08095	4.9
113.06063	2.0
113.09723	2.1
117.07039	1.7
119.08591	13.8
121.06502	8.2
121.10154	43.8
123.08057	8.2
123.11722	9.6
125.06027	1.9
125.09677	16.3
127.03909	3.9
127.07535	2.6
129.06964	3.4
131.08546	11.9
133.06496	2.1
133.10133	59.6
134.10420	2.1
135.08046	17.8
135.11725	10.5
135.12576	1.6
137.06035	3.6
137.09619	13.8
139.07559	1.6
139.11168	7.1
143.08598	2.0
145.04996	2.1
145.10132	4.9
147.04431	2.6
147.07986	2.1
147.11693	13.3
149.09610	16.3
149.13258	22.7
151.11195	93.0
152.11493	2.6
153.09119	4.8
157.10123	3.5
158.10950	4.5
159.07980	1.9
163.11221	3.2
163.14848	18.5
165.12727	6.9
167.07068	2.8
167.10652	2.5
173.13268	31.8
175.14812	2.4
190.20235	1.8
191.14320	100.0
192.14723	2.7
194.70865	1.9
203.10745	3.2
209.15379	89.8
210.15742	5.3
266.65707	1.8
267.12329	3.0
299.20135	3.3
312.21310	2.0
317.21063	2.6
331.82251	1.8
335.22104	4.1
353.23181	2.1
371.14310	1.7
372.69403	1.7
379.51389	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.8
55.01854	4.7
55.05491	4.1
57.03428	3.0
59.04992	1.6
61.02909	1.8
67.05502	9.9
69.03433	10.3
69.07076	15.7
69.90709	1.3
71.04965	3.2
71.11012	2.9
73.02888	1.6
79.05488	6.4
81.03404	3.4
81.07059	11.6
83.01344	1.4
83.04961	4.0
83.08596	3.1
84.84464	1.1
85.02504	1.1
85.02905	10.3
85.06517	1.5
86.09731	2.1
91.05458	8.5
93.07055	20.1
95.04941	4.9
95.08599	13.3
97.02855	4.8
97.06494	4.3
97.10151	1.4
99.04413	2.6
105.07044	9.6
107.04924	3.2
107.08605	18.2
109.02870	3.1
109.06480	5.2
109.10159	10.3
111.04430	2.1
111.08036	3.7
113.06019	1.4
116.49499	1.2
117.06966	2.3
119.08593	6.1
121.06523	13.9
121.10150	16.2
123.08017	3.8
123.11690	2.9
125.09594	2.0
127.03870	2.9
129.06940	1.8
131.04967	1.2
131.08589	5.7
133.06468	1.2
133.10156	10.1
135.08054	6.8
135.11734	6.8
137.05922	4.2
137.09573	5.0
139.11124	2.9
143.08507	2.0
145.10091	4.7
147.08055	1.2
147.11696	27.1
149.09590	6.2
149.13234	7.3
151.11137	1.6
153.12677	1.4
157.10094	2.0
159.08002	1.9
159.11601	1.5
161.09544	4.3
161.13173	1.5
163.11099	5.4
163.14720	4.5
165.09062	2.2
165.12788	1.3
167.07011	5.1
171.11505	1.4
173.13287	8.3
175.07474	1.5
176.11903	1.4
181.12167	1.9
189.09126	2.0
191.14322	100.0
192.14563	5.1
192.16205	1.1
193.08640	2.1
193.12207	1.2
201.11101	2.0
209.15271	5.4
217.08566	2.4
223.08595	2.8
223.12820	1.4
227.12614	4.7
237.10225	16.4
238.10933	1.6
249.09192	1.6
250.08684	1.8
252.08647	1.5
265.09787	21.1
266.10205	2.8
267.11435	1.6
277.08530	1.8
281.09058	1.6
283.10468	1.3
289.21701	2.4
293.09180	12.8
293.12000	2.1
294.09210	1.5
300.09702	1.6
307.22531	1.7
311.10266	16.0
321.08459	1.8
339.08890	2.5
339.12396	3.7
353.11026	4.2
353.22809	2.2
371.12134	47.2
372.12628	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01865	4.6
55.05511	8.3
56.96571	1.8
57.03432	1.9
57.07059	2.3
59.70736	0.9
61.02924	2.1
67.05226	1.0
67.05511	11.3
69.03431	10.2
69.07064	18.4
70.06582	2.8
71.04986	4.3
71.12923	3.1
72.08138	1.1
73.02907	1.1
75.70622	0.9
79.05489	10.3
81.03414	5.1
81.07053	23.9
83.04982	6.1
83.08603	2.0
84.04494	1.2
85.02899	9.7
85.06548	12.2
86.09702	1.8
87.04459	1.5
91.05442	11.3
93.07047	24.5
95.04961	11.0
95.08604	14.4
97.02870	6.2
97.06522	3.7
99.04439	2.4
99.08081	1.3
101.06001	1.4
103.05448	1.7
105.07036	14.2
107.04959	6.2
107.08587	19.8
109.02882	1.9
109.06513	12.3
109.10143	18.5
111.04409	2.2
111.08094	3.1
113.05955	1.2
113.09647	1.1
117.06990	2.3
119.08585	8.0
120.08050	1.3
121.06499	15.2
121.10143	16.8
122.02732	1.4
122.03582	1.4
123.08093	5.6
123.11714	4.9
124.05228	1.1
125.05975	1.2
125.09605	2.7
127.03891	4.4
127.07559	6.6
127.11238	1.1
128.06192	1.1
129.05482	2.5
129.06979	3.6
131.04915	1.8
131.08554	9.4
133.06477	2.7
133.10135	15.9
135.04425	1.1
135.08052	10.4
135.11688	6.8
137.04964	0.8
137.05962	20.0
137.09589	9.1
138.06302	1.7
139.11166	4.2
141.06973	1.8
143.08565	3.1
145.04916	1.2
145.06483	1.6
145.10133	6.4
147.06575	1.2
147.08023	2.2
147.11688	31.7
149.05974	1.5
149.09610	7.1
149.13235	8.9
151.03922	1.1
151.11186	2.7
153.09117	2.3
155.10680	1.5
156.05672	4.1
157.06352	1.7
157.10103	3.4
158.10916	1.6
159.08041	4.0
159.11642	2.9
161.09610	7.8
161.13203	1.4
163.11171	3.4
163.14809	3.3
165.09111	4.2
167.07066	11.2
167.10744	1.5
171.11510	1.2
173.05943	1.7
173.09621	2.5
173.13260	10.2
174.06740	1.2
175.07513	3.5
175.11172	2.2
176.11902	1.3
177.05481	1.3
177.12657	1.4
179.06941	1.1
179.10625	1.7
185.09566	2.1
187.03992	1.4
187.07523	3.6
187.14841	1.1
189.09030	3.3
191.14302	100.0
192.14644	3.3
193.08600	3.3
199.09668	1.2
202.06232	1.7
203.08742	1.2
203.10632	3.5
206.07205	1.4
207.08070	1.6
209.15378	3.7
217.08597	11.4
218.07162	1.8
220.08644	1.3
221.11761	3.6
223.07475	1.5
226.06149	1.3
231.08081	2.1
231.10225	3.0
233.09656	3.2
234.06760	2.0
235.07437	1.6
237.02856	2.1
239.06851	2.0
241.08601	3.3
247.09615	4.0
248.08226	1.0
249.09058	3.1
249.11267	2.6
252.07820	1.8
261.08957	6.0
263.06985	2.8
267.12317	9.5
275.07111	1.3
277.08621	6.0
278.09180	3.2
279.10110	1.1
281.07935	1.2
281.11667	2.2
285.07455	8.1
289.08722	1.5
289.21613	3.4
291.10403	1.3
292.10593	1.3
293.11697	2.9
294.08691	1.7
300.09802	9.3
301.10614	4.6
301.13724	1.8
306.08881	1.5
307.09714	1.4
309.11108	4.5
313.10770	1.2
317.21078	1.8
321.11203	5.1
323.09070	1.2
326.11481	3.3
335.11243	3.8
335.22070	3.0
339.12170	4.7
341.13980	2.6
353.13791	11.2
353.23444	2.9
354.13538	1.3
371.15137	13.0
389.14670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.87063	1.2
53.03926	4.6
55.01860	5.3
55.05514	8.1
56.96559	1.6
57.03439	8.1
57.07052	1.9
59.04992	3.5
60.15960	1.2
61.02698	1.1
61.02928	12.6
61.83249	1.1
67.05182	1.4
67.05503	18.9
69.03426	37.5
69.07068	19.7
69.34877	12.8
71.01351	1.5
71.04985	8.3
71.08628	1.5
73.02922	8.1
79.05489	16.4
81.03421	17.0
81.07053	25.9
83.01286	1.9
83.04964	5.8
83.08616	5.0
85.02903	100.0
85.06547	6.1
85.10126	1.8
86.03242	2.3
86.09689	5.4
87.00804	1.8
87.04472	7.7
91.03938	10.0
91.05449	10.4
93.07041	20.6
95.04974	26.0
95.08607	21.1
97.02289	2.3
97.02886	35.4
97.06524	12.0
97.10168	1.4
99.04457	9.5
99.08089	1.9
101.05997	2.5
105.07024	21.9
107.04958	2.8
107.08595	19.1
109.02890	12.4
109.06516	14.0
109.10152	13.9
111.04424	3.2
111.08051	3.4
115.03944	2.1
117.06971	2.8
119.04887	2.1
119.08581	14.0
121.06521	9.7
121.10141	16.5
122.07274	3.7
123.08057	22.1
123.11717	7.1
127.03917	30.4
129.05434	1.5
129.06989	1.9
131.08539	5.2
133.06485	4.3
133.10133	13.3
135.08054	41.3
135.09099	2.0
135.11707	11.4
137.05983	4.3
137.09598	2.4
139.11172	2.2
145.04964	44.5
145.10124	11.2
147.11681	16.1
149.09601	5.0
149.13310	6.3
151.07500	2.7
151.11195	3.7
157.10147	2.7
159.08052	2.0
159.11664	5.1
161.09624	2.3
161.13280	4.2
163.05997	4.4
163.07446	1.5
163.11165	2.3
163.14784	3.7
165.09085	1.8
165.12747	67.1
165.64771	1.3
166.13040	2.6
167.07047	2.9
171.11661	2.2
173.09589	10.1
173.13251	4.2
175.11131	3.6
175.14799	6.0
176.11958	3.8
177.12729	2.7
179.08566	1.7
182.06885	1.7
187.11147	6.1
191.14304	98.0
192.14638	4.5
193.12221	3.7
193.15880	10.0
195.08046	1.9
203.18066	6.9
205.12206	3.6
207.13799	4.5
209.15369	15.8
213.16319	2.6
215.10695	6.2
216.90155	1.4
221.18977	1.5
231.17519	2.0
233.11763	7.1
239.19904	2.0
249.18466	3.0
251.12788	2.2
309.16946	3.0
317.24832	1.4
327.17947	3.7
335.25897	1.9
339.12466	3.2
352.71259	1.2
353.19833	3.0
353.24033	1.7
371.11017	3.0
371.15857	3.1
371.20630	82.7
371.24979	3.1
372.21072	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	371.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.1
55.01865	4.6
55.05511	8.3
56.96571	1.8
57.03432	1.9
57.07059	2.3
59.70736	0.9
61.02924	2.1
67.05226	1.0
67.05511	11.3
69.03431	10.2
69.07064	18.4
70.06582	2.8
71.04986	4.3
71.12923	3.1
72.08138	1.1
73.02907	1.1
75.70622	0.9
79.05489	10.3
81.03414	5.1
81.07053	23.9
83.04982	6.1
83.08603	2.0
84.04494	1.2
85.02899	9.7
85.06548	12.2
86.09702	1.8
87.04459	1.5
91.05442	11.3
93.07047	24.5
95.04961	11.0
95.08604	14.4
97.02870	6.2
97.06522	3.7
99.04439	2.4
99.08081	1.3
101.06001	1.4
103.05448	1.7
105.07036	14.2
107.04959	6.2
107.08587	19.8
109.02882	1.9
109.06513	12.3
109.10143	18.5
111.04409	2.2
111.08094	3.1
113.05955	1.2
113.09647	1.1
117.06990	2.3
119.08585	8.0
120.08050	1.3
121.06499	15.2
121.10143	16.8
122.02732	1.4
122.03582	1.4
123.08093	5.6
123.11714	4.9
124.05228	1.1
125.05975	1.2
125.09605	2.7
127.03891	4.4
127.07559	6.6
127.11238	1.1
128.06192	1.1
129.05482	2.5
129.06979	3.6
131.04915	1.8
131.08554	9.4
133.06477	2.7
133.10135	15.9
135.04425	1.1
135.08052	10.4
135.11688	6.8
137.04964	0.8
137.05962	20.0
137.09589	9.1
138.06302	1.7
139.11166	4.2
141.06973	1.8
143.08565	3.1
145.04916	1.2
145.06483	1.6
145.10133	6.4
147.06575	1.2
147.08023	2.2
147.11688	31.7
149.05974	1.5
149.09610	7.1
149.13235	8.9
151.03922	1.1
151.11186	2.7
153.09117	2.3
155.10680	1.5
156.05672	4.1
157.06352	1.7
157.10103	3.4
158.10916	1.6
159.08041	4.0
159.11642	2.9
161.09610	7.8
161.13203	1.4
163.11171	3.4
163.14809	3.3
165.09111	4.2
167.07066	11.2
167.10744	1.5
171.11510	1.2
173.05943	1.7
173.09621	2.5
173.13260	10.2
174.06740	1.2
175.07513	3.5
175.11172	2.2
176.11902	1.3
177.05481	1.3
177.12657	1.4
179.06941	1.1
179.10625	1.7
185.09566	2.1
187.03992	1.4
187.07523	3.6
187.14841	1.1
189.09030	3.3
191.14302	100.0
192.14644	3.3
193.08600	3.3
199.09668	1.2
202.06232	1.7
203.08742	1.2
203.10632	3.5
206.07205	1.4
207.08070	1.6
209.15378	3.7
217.08597	11.4
218.07162	1.8
220.08644	1.3
221.11761	3.6
223.07475	1.5
226.06149	1.3
231.08081	2.1
231.10225	3.0
233.09656	3.2
234.06760	2.0
235.07437	1.6
237.02856	2.1
239.06851	2.0
241.08601	3.3
247.09615	4.0
248.08226	1.0
249.09058	3.1
249.11267	2.6
252.07820	1.8
261.08957	6.0
263.06985	2.8
267.12317	9.5
275.07111	1.3
277.08621	6.0
278.09180	3.2
279.10110	1.1
281.07935	1.2
281.11667	2.2
285.07455	8.1
289.08722	1.5
289.21613	3.4
291.10403	1.3
292.10593	1.3
293.11697	2.9
294.08691	1.7
300.09802	9.3
301.10614	4.6
301.13724	1.8
306.08881	1.5
307.09714	1.4
309.11108	4.5
313.10770	1.2
317.21078	1.8
321.11203	5.1
323.09070	1.2
326.11481	3.3
335.11243	3.8
335.22070	3.0
339.12170	4.7
341.13980	2.6
353.13791	11.2
353.23444	2.9
354.13538	1.3
371.15137	13.0
389.14670	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	5.9
55.01875	10.0
55.05513	15.7
56.96576	2.2
57.03445	7.0
57.07070	5.2
59.05005	2.9
61.02948	3.7
66.72579	2.2
67.05500	21.0
68.05832	2.2
69.03425	27.5
69.03770	2.7
69.07065	14.3
70.03783	3.4
70.06592	15.7
70.76644	7.3
70.99292	2.0
71.04996	12.6
72.08149	2.5
73.02911	3.7
79.05480	18.1
81.03419	17.5
81.07053	37.8
82.03779	5.0
82.07401	2.5
83.04993	15.4
83.08620	4.8
84.04488	3.6
84.08163	5.7
85.02906	40.6
85.06533	13.8
86.03262	2.6
86.09730	9.8
87.04505	3.0
91.05507	17.5
91.93587	2.4
93.07043	32.9
95.04964	20.9
95.08604	26.7
97.02891	18.9
97.06525	11.3
97.10199	5.8
98.03264	2.1
98.97602	5.3
99.04479	8.8
99.08125	4.9
101.06038	5.2
103.05491	7.9
105.03436	2.9
105.07024	28.0
107.04954	7.7
107.08591	38.1
109.02914	7.6
109.06506	15.2
109.10145	13.9
110.10518	2.0
111.04495	5.6
111.08078	43.6
113.06030	3.9
113.09708	2.9
115.03957	2.3
115.05473	2.2
116.98656	6.3
117.07024	11.5
119.04973	6.5
119.08575	20.7
120.08135	10.9
120.08926	2.0
121.06528	9.5
121.08463	3.6
121.10123	25.0
122.06076	2.9
123.04439	2.6
123.08106	9.7
123.11753	7.1
124.07610	5.1
125.06042	7.4
125.09678	8.1
127.03910	11.4
127.07587	4.2
128.06255	3.0
129.05499	6.1
129.07028	5.2
131.04971	6.2
131.08549	17.6
133.06537	6.5
133.10126	26.0
134.10506	3.0
135.08034	16.8
135.11752	9.4
136.07611	3.0
137.05997	17.2
137.09604	10.5
138.09131	2.6
139.11209	4.6
140.07076	2.8
141.05521	3.5
141.09135	4.6
142.07716	2.5
143.08598	6.0
143.10733	2.3
145.05038	2.6
145.06418	2.7
145.10106	10.6
146.99689	2.7
147.04398	19.8
147.06528	4.7
147.08121	7.2
147.11678	33.4
149.06021	5.1
149.09583	15.6
149.13261	16.4
151.03969	5.6
151.07591	5.8
151.11250	7.7
152.07059	21.2
153.07384	18.2
153.09154	4.6
153.12738	2.4
154.07683	2.2
155.07066	4.5
157.06569	2.7
157.10165	5.1
159.08064	4.3
159.11710	5.7
161.06017	3.7
161.09711	6.5
161.13313	3.8
163.07603	4.2
163.11235	6.5
163.14897	5.3
164.07040	2.4
164.10728	4.5
165.09193	5.7
165.12827	4.1
167.07076	19.3
169.12283	4.3
171.08083	2.5
171.11703	2.7
173.09731	3.1
173.13297	14.0
175.07610	5.2
175.11235	8.6
176.12074	2.1
177.00731	4.0
177.05600	3.1
179.07121	4.4
179.10738	2.8
181.08469	2.4
185.09676	4.0
187.07603	5.0
189.09189	2.4
189.12834	6.0
191.07068	13.2
191.10699	3.9
191.14313	87.9
192.14642	5.3
193.08685	10.5
193.10460	4.4
193.12340	3.1
203.10802	7.3
207.13918	6.6
209.08012	6.4
209.11768	6.1
209.15381	100.0
210.11426	7.7
210.15800	5.6
213.09224	4.2
217.08653	4.8
219.08131	4.9
219.13948	2.9
221.09970	4.0
221.11877	3.8
231.10272	2.1
233.15434	2.3
247.07550	3.5
248.09262	6.7
249.09348	23.2
250.09789	2.4
261.09335	2.3
264.07874	2.6
267.12360	3.8
268.97968	2.8
277.08737	6.3
278.09497	2.5
285.00879	2.8
307.10565	2.4
309.11618	2.7
317.21094	4.0
326.11960	2.5
335.11359	2.2
335.22354	7.1
339.12491	7.1
353.12955	4.3
353.23318	5.0
355.06940	2.6
371.13242	5.4
371.16885	77.1
372.16721	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	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.83130	3.8
53.03955	5.7
55.05518	26.6
55.05743	5.3
57.03431	12.5
57.07071	11.6
61.02927	5.3
66.05654	3.9
67.05499	14.9
69.03432	32.8
69.07065	39.5
70.06583	5.9
71.05003	10.0
71.57663	5.3
71.57982	3.9
73.01145	4.7
74.05227	4.3
79.05482	24.7
81.03426	17.8
81.07056	100.0
83.04971	25.0
83.08623	51.5
85.02905	43.4
85.06535	13.6
86.97469	4.5
89.82389	4.0
91.05481	14.4
93.07054	32.5
95.04959	15.6
95.08613	20.9
97.02897	19.4
97.06548	12.5
99.04472	10.2
99.21863	4.5
101.49929	3.8
105.07035	19.7
107.08585	45.1
109.02885	13.1
109.06511	67.4
109.10151	37.5
111.08076	20.1
117.07024	4.0
119.08587	12.2
121.06538	4.9
121.10142	35.2
123.08089	11.6
123.11678	28.3
125.13291	10.4
127.03895	37.6
127.07573	10.5
131.08594	12.9
133.10132	32.6
135.08064	18.8
135.11707	9.1
137.05945	11.3
137.09622	5.4
139.11166	7.6
141.09137	5.7
143.08575	5.4
145.10072	4.8
147.11676	4.7
149.09619	11.2
149.13271	56.6
151.11203	11.1
153.09116	14.1
155.28444	4.4
157.16432	4.6
162.35719	5.4
163.14894	8.3
167.07048	7.7
167.14310	75.5
169.12189	7.7
171.10222	16.9
173.13237	13.7
182.15405	6.0
191.14278	45.0
193.08578	5.1
207.13882	4.5
209.15363	48.6
210.14832	4.8
217.08554	4.5
227.16458	9.4
337.21042	5.6
353.19693	10.0
363.30917	5.6
371.16708	23.8
371.21011	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	371.2064
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
52.20718	1.5
52.72429	1.3
53.03930	4.2
54.61624	1.2
55.01852	4.8
55.05500	7.0
56.73798	1.1
56.96566	3.3
57.03436	8.9
57.07058	3.4
59.04985	3.9
61.02920	13.4
63.58127	1.3
67.05493	10.8
69.03075	2.1
69.03426	35.8
69.07065	20.6
70.06577	1.2
71.04983	6.2
71.08620	1.6
71.26553	1.6
71.26871	2.0
73.02930	6.4
79.05484	7.8
81.03414	16.0
81.07057	17.7
83.04964	4.9
83.08603	5.9
83.84082	1.5
85.02901	96.4
85.06541	2.7
86.09699	2.1
87.04456	6.3
91.03960	7.7
91.05444	8.0
93.07040	10.9
95.04958	18.9
95.08585	12.3
97.02283	2.0
97.02889	33.0
97.06529	7.9
97.10188	3.3
98.97578	1.5
99.04445	9.0
101.05979	2.1
105.07023	15.6
107.04879	2.2
107.08579	16.3
109.02869	10.4
109.06528	10.5
109.10143	11.8
111.04443	2.5
111.08100	2.0
117.07013	1.4
119.08593	10.2
121.06522	6.6
121.10149	8.3
122.07269	3.7
123.08066	23.8
123.11684	6.2
125.09601	3.6
127.03922	25.3
131.08540	4.9
133.10123	11.9
135.08046	36.9
135.11656	7.3
137.05994	2.5
137.09583	2.5
139.07550	1.4
139.11136	1.8
145.04947	42.7
145.06146	2.1
145.10123	9.8
147.06526	2.5
147.11653	9.9
149.09615	3.8
149.13240	2.6
151.07547	2.7
151.11154	3.3
159.11685	5.6
161.09615	1.9
161.13275	1.5
163.06067	3.2
163.11125	1.9
163.14761	2.2
165.12744	71.5
166.13031	1.5
173.09621	4.2
173.13177	3.7
175.07611	2.0
175.14816	4.7
176.11798	2.1
177.00548	1.6
177.12750	2.2
185.13159	1.7
187.11131	2.5
191.14304	100.0
192.14671	3.0
193.12181	2.0
193.15889	11.6
205.12259	6.0
207.13835	3.4
209.15363	19.3
215.10690	5.1
233.11603	2.1
239.19949	3.2
309.16937	3.1
327.17969	4.0
353.13898	2.0
371.20633	77.1
371.24918	3.0
371.30072	2.5
372.20911	4.8
393.31247	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2063
Annotation	(6R,9S)-3-Oxo-alpha-ionol beta-D-glucoside
Peak:m/z	Relative Intensity
51.81885	1.1
53.03935	2.0
55.05501	4.9
57.03436	2.2
57.07066	3.4
61.02910	2.3
67.05494	7.6
69.03076	1.3
69.03427	17.3
69.07065	100.0
70.06592	1.2
71.04893	3.1
73.02895	1.3
79.05485	4.4
80.37720	0.9
81.03426	5.7
81.07053	13.3
83.04970	7.4
83.08627	8.0
85.02428	1.7
85.02904	25.6
86.24384	1.0
87.04483	1.6
91.05434	1.2
93.07047	8.3
95.04979	4.7
95.08601	33.4
97.02893	9.2
97.06514	5.1
98.06145	1.0
99.04437	3.2
103.03944	1.3
105.07013	5.4
107.04978	1.3
107.08588	20.0
109.02855	5.1
109.06531	6.0
109.10159	9.1
111.08087	3.3
113.09628	1.1
115.07547	2.4
116.07125	1.0
119.08571	6.8
121.10139	17.7
122.61221	1.0
123.08051	3.0
123.11703	5.2
125.09624	1.6
127.03918	13.3
129.05473	1.3
131.08588	3.4
133.10115	11.1
135.08044	2.8
135.11693	24.0
136.05721	1.0
137.09616	2.5
137.13237	12.3
139.07561	1.2
139.11211	1.2
145.04985	5.4
145.10094	2.2
147.11678	4.3
149.09676	1.1
149.13268	7.0
151.11169	2.0
153.09015	1.5
158.10902	1.7
163.14799	12.7
167.14326	6.0
173.13264	8.8
175.14795	2.5
181.15842	10.5
191.14301	22.6
209.15350	16.0
221.15378	1.2
241.10683	2.8
259.11771	2.2
293.20898	1.3
345.44067	1.0
353.19550	1.4
371.16733	7.2
371.20233	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	8.4
55.01865	9.6
55.05509	17.4
56.96581	5.0
57.03432	8.0
57.07069	5.8
65.00415	3.9
65.03947	4.7
67.05506	28.9
69.03432	15.1
69.07079	30.1
71.04979	11.7
71.08637	8.2
71.60828	4.0
78.14795	4.0
79.05503	28.8
81.03405	9.6
81.07066	38.6
83.04989	16.1
83.08624	7.3
85.02898	21.7
85.06539	10.3
91.05423	27.2
93.07039	33.3
95.04987	27.3
95.08608	46.3
96.57269	4.3
97.02882	12.1
97.06528	15.3
97.10183	10.0
98.97605	5.9
99.04478	7.6
99.08079	6.9
101.06020	8.0
105.07040	34.5
107.04958	20.1
107.08590	34.8
109.06535	15.3
109.10180	29.8
111.04465	7.4
111.08081	9.1
116.98609	4.8
117.06995	6.6
119.08578	26.6
120.08135	4.7
121.06532	11.3
121.10166	25.7
122.03637	10.7
122.09624	10.4
123.08070	13.4
123.11716	14.1
124.05266	4.5
125.06006	9.6
125.09647	7.5
128.06239	8.4
129.05527	10.4
129.07025	12.8
131.08577	19.8
133.06505	10.8
133.10130	21.1
135.08009	22.0
135.11710	12.5
137.05983	100.0
137.09604	16.1
139.07579	5.7
141.06937	10.1
143.08606	8.9
144.05685	7.8
145.10117	12.5
147.06509	9.2
147.08058	5.3
147.11700	11.9
149.05994	5.2
149.09621	10.6
149.13248	12.0
151.07532	12.2
151.11201	10.2
156.05713	23.4
157.06514	5.8
157.09958	6.2
159.08087	16.5
159.11732	6.4
161.05928	8.5
163.03931	5.6
163.11154	12.1
164.07088	5.0
165.09099	5.5
167.07080	50.5
173.13254	10.6
174.06905	5.3
175.07550	14.4
175.14845	10.3
177.12675	5.7
187.07535	24.7
187.11053	5.6
189.09106	10.7
190.07779	6.0
191.14281	22.1
193.08632	8.8
193.12265	5.9
199.07605	5.7
202.06244	6.5
203.08542	8.1
205.08490	6.8
209.15340	27.1
211.07686	5.4
213.12697	6.1
215.06908	5.6
217.08606	77.0
218.07269	14.8
219.08025	5.0
221.09645	8.0
221.19003	6.0
229.08627	5.1
231.08008	5.1
233.09581	12.4
234.06754	11.8
235.07570	9.9
237.10318	27.9
237.12379	6.2
239.07030	23.5
239.20041	9.9
241.08568	10.4
246.06686	5.0
247.07732	4.0
247.09700	34.6
249.09044	20.8
252.07782	7.2
257.08289	6.5
260.08505	5.2
261.09171	32.8
262.09641	5.8
263.07156	13.9
263.10605	6.2
264.07855	5.4
265.09863	33.1
266.09399	7.4
269.08203	7.1
270.08710	6.1
271.05960	6.3
275.07257	4.3
277.08643	21.8
278.01700	5.1
278.09308	11.7
279.06812	7.8
279.10269	6.6
281.11743	11.7
285.07529	57.7
285.10162	5.8
286.08188	6.5
289.08481	8.9
291.09863	5.1
293.09015	13.2
293.11795	20.1
295.09711	7.4
296.10236	4.2
299.20053	6.8
300.09885	80.4
301.10699	21.4
307.09778	5.5
309.11191	29.1
311.10135	23.3
313.10681	10.4
317.21014	9.1
317.24478	6.3
321.11307	41.1
322.11679	8.9
323.09125	11.6
326.11465	16.0
335.22272	11.5
338.11670	6.7
339.12473	10.6
341.13864	22.9
353.13983	75.8
353.23294	7.5
371.12350	54.8
371.15466	17.2
371.20764	18.6
371.25620	8.8
372.10910	8.4
389.14856	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84042	2.9
55.01867	11.5
55.05506	23.0
57.03447	4.0
57.07067	4.1
65.03934	4.4
67.05505	30.9
69.03434	26.4
69.07056	16.1
70.06578	3.0
70.67628	10.6
71.04976	13.7
73.04742	3.4
77.03905	3.7
79.05492	43.5
79.44047	2.7
81.03426	20.0
81.07051	56.0
83.04979	25.9
83.08596	5.5
85.02903	10.5
85.06543	15.9
86.09684	6.6
87.00837	5.6
89.34770	3.2
91.05460	43.1
93.07038	40.7
95.04969	54.2
95.08603	40.6
97.02893	16.9
97.06535	19.5
97.10165	5.5
99.04446	9.4
99.08089	4.9
99.70095	4.1
101.06017	5.5
103.05444	7.0
105.07031	100.0
107.04971	16.6
107.08593	52.7
109.02865	9.8
109.06531	26.5
109.10155	29.2
111.04436	6.2
111.08057	13.4
113.05989	9.3
113.06763	3.1
115.05433	6.4
117.07056	14.9
119.04990	17.7
119.08582	28.1
121.06517	32.0
121.10145	20.6
123.04423	6.9
123.08106	5.4
123.11703	11.2
125.06020	3.6
125.09608	6.9
127.03944	15.1
127.07524	5.2
128.06227	9.5
129.07008	22.3
131.04883	5.4
131.08572	27.3
133.06500	33.3
133.10147	22.3
134.07315	4.1
135.08047	21.4
135.11655	8.4
137.05986	23.5
137.09637	9.8
139.07533	4.9
139.11174	7.6
141.05478	13.6
141.06978	8.4
142.07774	31.7
143.08534	12.2
144.09326	5.9
145.06476	12.9
145.10100	22.9
147.06488	4.0
147.08054	7.9
147.11641	20.3
149.09589	7.3
149.13261	6.9
151.07545	11.3
151.11240	4.8
153.05444	4.8
153.12743	5.8
155.08511	3.9
157.06477	9.5
157.10129	46.6
158.07352	4.8
158.10582	3.3
159.06718	5.6
159.08051	27.3
159.11710	17.1
161.06017	6.8
161.09647	14.9
161.13268	4.0
163.07561	4.5
163.11201	11.2
165.09105	6.6
167.07045	24.1
167.08507	6.3
167.10677	3.3
170.07295	11.7
171.07997	5.6
173.09633	27.0
173.13263	6.5
175.07559	6.1
175.11198	41.1
177.05501	5.0
177.09106	9.7
179.10719	4.5
181.12207	5.5
185.09618	76.1
187.07527	7.2
187.11214	13.5
189.09001	4.6
191.14273	13.2
193.08600	11.2
193.12285	8.9
195.08057	6.2
199.09779	5.1
203.10683	47.8
209.11711	4.6
209.15401	8.6
213.09116	48.0
214.09473	5.4
218.07269	4.2
221.11728	24.2
231.10109	24.5
236.08147	3.5
241.08571	3.5
249.09032	6.5
249.11217	27.8
252.07790	4.9
261.09012	6.6
263.07050	5.5
267.12207	8.2
277.08652	10.3
278.09320	4.8
280.07318	4.5
281.08063	3.9
281.11334	4.8
289.21567	3.5
293.11734	6.0
297.11075	3.5
300.10168	4.3
309.11145	6.2
317.10281	3.6
317.20953	6.1
321.11450	4.1
327.12274	4.1
335.11362	23.0
335.21872	10.4
339.12338	30.3
353.12515	21.7
353.23242	17.7
355.07001	5.0
371.15192	40.6
371.24692	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	371.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87148	2.4
51.91760	2.4
53.03971	3.1
55.01862	6.2
55.05505	8.7
56.96569	2.2
57.03410	2.3
57.07080	3.3
61.64118	2.0
62.18678	2.0
65.32741	2.3
66.47745	2.0
67.05498	17.7
69.03422	9.9
69.07066	11.5
71.04977	5.2
79.05490	24.4
81.07061	27.9
83.04977	15.4
83.08604	4.6
85.02866	2.3
85.06544	4.3
85.76665	2.3
89.82372	2.0
91.05475	24.1
93.07048	15.4
95.04958	16.4
95.08610	31.8
95.89765	2.2
97.06528	10.5
97.10181	3.3
99.04452	4.6
101.06021	3.7
105.07030	100.0
107.04922	6.5
107.08595	25.0
109.06509	10.3
109.10168	16.6
111.04470	2.6
111.08079	15.0
113.06015	5.7
115.05455	5.3
117.07020	8.8
119.04905	4.8
119.08581	18.7
121.06534	11.3
121.10137	10.9
123.04438	2.3
123.08057	5.7
123.11681	3.2
125.06008	4.4
125.09676	4.0
127.03905	11.6
128.06175	3.3
129.05463	3.2
129.07002	12.7
130.07787	3.3
131.08572	25.9
133.06505	11.4
133.10130	14.7
135.08066	4.8
135.11658	5.3
137.05998	6.1
137.09618	7.5
137.13188	2.5
141.05414	4.4
141.06920	3.9
142.07800	26.1
143.08588	10.8
144.09322	6.0
144.76285	2.8
145.06490	7.6
145.10124	17.0
146.10889	3.1
147.06483	2.7
147.08037	4.3
147.11684	14.8
149.09610	5.7
149.13228	3.6
151.07555	7.4
151.11186	4.7
155.08511	2.9
157.06458	3.6
157.10129	42.1
157.12225	2.4
159.08003	12.6
159.11714	28.7
161.09633	12.9
163.11194	2.6
165.09062	4.9
167.07057	6.6
170.07243	4.9
171.08051	2.3
172.08717	3.2
173.09631	9.4
175.11188	23.4
177.09163	3.8
179.10477	2.7
185.09627	41.0
187.07465	3.1
187.11176	6.1
193.12144	5.7
198.06514	3.5
203.10669	81.0
203.12560	4.7
209.15331	2.5
213.09081	22.7
217.00830	2.6
221.09831	4.0
221.11758	27.3
231.10051	7.0
249.11252	7.0
249.14955	2.5
251.07071	2.7
261.09024	3.3
285.07480	3.0
289.10654	5.0
289.21600	3.8
291.12302	4.1
293.11618	3.1
299.20068	3.0
300.10056	4.3
307.11774	6.7
335.11310	5.2
335.22113	5.3
339.12219	8.6
353.13678	5.0
353.23322	5.4
371.15543	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	371.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.7
55.01857	2.3
55.05513	4.4
57.03429	2.4
57.07064	1.5
57.23440	0.9
59.04999	1.9
61.02915	1.1
65.03931	1.0
67.05501	5.6
69.03427	10.2
69.07052	3.6
69.62736	2.8
69.63138	4.5
70.06569	3.1
71.05011	5.0
71.08616	1.7
72.36824	0.9
79.05498	15.3
81.03416	15.6
81.07058	58.5
83.04983	6.8
83.08615	1.3
85.02906	9.8
85.06548	12.0
86.09715	2.0
91.05386	5.0
92.20639	1.0
93.07050	10.4
95.04967	6.7
95.08610	9.6
97.02882	5.5
97.06516	3.3
99.04454	2.0
99.08096	2.7
101.05997	1.5
103.05456	2.3
105.07037	13.0
107.04966	2.9
107.08576	7.5
109.02864	4.8
109.06516	34.5
109.10156	7.4
111.04411	2.2
111.08080	7.7
113.09615	1.3
115.05431	2.6
115.07598	1.4
118.04170	1.7
119.04958	1.4
119.08559	3.9
121.06499	4.0
121.10126	7.3
123.08086	2.5
123.11671	2.4
125.09635	3.0
127.03948	5.1
127.07553	3.6
129.05466	1.7
131.04941	1.9
131.08585	3.1
133.06494	8.9
133.10118	3.7
135.04401	2.7
135.08041	3.5
135.11668	3.2
136.04756	1.6
137.05957	2.6
137.09612	4.3
137.13281	1.3
139.03906	2.0
139.11217	2.1
141.09100	29.8
143.08653	1.1
145.04959	1.6
145.08553	4.9
145.10132	3.4
147.06662	1.4
147.07951	1.5
147.11725	1.8
149.05989	2.9
149.09619	3.2
151.03883	2.9
151.11214	2.4
153.09149	1.3
155.07083	1.3
155.08514	1.1
159.08051	3.9
159.10199	1.5
161.05997	6.6
163.11208	2.5
165.12779	2.0
167.07047	12.9
169.06447	1.2
169.08585	1.5
171.08232	1.1
173.13272	3.0
175.07478	1.2
177.05467	3.5
181.08673	1.4
185.09709	1.6
187.09682	15.7
189.08951	1.2
191.07036	1.7
191.10664	1.7
191.14349	8.9
193.08621	18.1
208.13287	3.3
209.08154	2.0
209.13605	4.9
209.15384	8.1
217.08580	2.3
231.10252	1.1
237.10138	4.1
239.12601	1.2
261.09186	1.4
265.09763	5.6
267.12115	3.5
277.08542	1.3
285.13354	1.6
293.09253	2.2
309.11139	1.4
311.10208	3.2
317.21042	2.5
326.11514	1.3
327.14221	10.2
335.22125	3.7
338.87881	1.1
339.12277	1.8
341.13779	1.4
353.13940	1.2
353.23218	2.6
371.13049	100.0
371.28928	2.1
372.13391	1.7
389.14368	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	10.4
56.96555	6.5
61.02918	6.6
67.05502	9.1
69.03411	10.8
70.06596	36.3
71.04987	6.1
71.08604	7.0
71.59157	5.2
72.08148	13.0
73.04754	12.1
78.55695	4.8
78.88559	5.2
79.02116	5.4
80.39367	5.2
81.03383	5.9
81.07043	13.7
83.04980	6.3
84.08145	11.8
85.02887	32.0
86.09710	8.1
86.55268	6.2
91.05801	100.0
93.07070	6.6
95.04926	10.3
95.08544	6.7
101.06004	10.8
105.07032	13.6
107.04910	14.1
107.08591	9.4
109.02834	6.2
109.06505	23.3
109.10168	10.2
116.98696	6.3
121.10060	5.9
127.03914	16.9
129.05489	7.7
131.04968	6.3
133.10106	11.8
134.99667	8.9
135.04401	15.1
135.08018	8.2
136.07590	7.9
145.02792	7.6
147.04427	14.6
147.06528	13.5
153.05460	88.5
163.03926	99.5
169.13443	9.3
173.13214	10.0
177.01915	6.6
181.04889	8.2
191.14273	23.5
195.06516	26.4
197.12752	5.8
203.03456	38.0
205.04953	8.3
209.04544	9.5
209.15509	8.7
261.03870	7.5
268.97839	24.5
279.05032	14.9
284.69165	7.0
285.00925	34.5
290.84573	6.5
291.05026	8.8
299.06082	7.2
303.02081	14.0
339.06937	13.1
355.06958	37.7
371.06531	8.4
371.13123	21.5
371.16690	31.9
371.21497	9.5
371.22357	8.1
391.54770	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	370.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.7
55.05526	1.1
57.03437	6.3
57.07076	5.2
60.77807	0.7
61.02920	1.6
61.15565	0.8
66.56645	0.8
67.05510	3.1
69.03430	4.3
69.07081	1.5
71.04993	1.6
71.24458	1.8
73.02894	1.1
73.06563	1.8
74.86916	0.7
79.05482	1.7
81.07042	4.4
85.02905	13.6
85.06554	6.8
85.10184	12.1
91.03938	1.0
91.05475	1.0
91.99426	0.9
93.07047	1.4
95.04984	1.5
95.08612	35.7
97.02890	3.4
97.06523	4.0
99.08106	3.1
100.07633	3.0
105.07024	1.1
107.08589	1.0
109.06554	1.2
109.10167	1.2
113.09649	32.9
121.10168	0.8
123.08082	9.3
127.03922	1.5
129.09137	2.5
131.10683	100.0
133.10115	1.0
137.05960	1.4
141.09079	2.8
145.05006	2.5
146.08159	1.3
155.10669	11.8
159.10179	10.1
173.11775	12.7
173.13170	1.3
189.12756	0.8
190.13177	1.0
191.12784	42.5
208.06502	0.9
217.08492	1.0
237.10306	1.9
265.09799	3.4
281.95267	0.8
293.09171	1.6
311.10287	2.2
364.22046	0.9
371.12320	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	370.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05503	3.2
57.03445	1.8
57.07077	16.7
59.05003	100.0
61.02932	4.2
67.05504	5.0
67.95361	1.1
69.03442	7.5
69.07076	4.4
70.06599	2.1
71.60916	1.4
71.79545	1.1
79.05494	5.1
81.03415	3.3
81.07049	9.3
83.04978	1.8
83.08631	2.0
85.02921	15.5
85.06539	2.4
86.09726	2.7
91.03939	1.4
91.05457	3.0
93.07053	5.5
95.04985	3.5
95.08617	12.8
97.02901	4.9
97.06544	2.9
97.10165	2.1
98.97604	1.6
99.04456	3.0
100.07639	1.4
103.05447	2.4
105.07024	9.0
107.04963	4.2
107.08611	4.5
109.02876	2.8
109.06506	2.7
109.10173	4.3
111.08093	1.8
115.11214	29.5
119.01930	1.4
119.08585	4.1
121.06543	3.0
121.10165	2.8
123.04421	1.8
123.08089	3.0
123.11722	2.1
127.03947	3.2
131.04945	2.0
131.08589	2.3
133.06502	3.4
133.10141	3.7
135.08073	4.3
136.07573	1.6
137.06012	4.2
137.09605	2.9
145.04985	2.2
145.10139	1.4
147.11742	1.3
149.09630	1.8
149.13287	2.4
151.03905	2.0
157.10231	1.3
159.08049	1.9
161.05994	3.6
161.09615	1.2
165.09151	2.1
167.07069	15.7
173.13258	1.6
173.15417	3.4
175.07689	2.6
177.05450	2.3
187.06061	1.3
187.07648	3.6
191.14455	3.7
191.16425	49.3
192.16736	1.3
193.08640	6.8
193.12245	1.5
208.07935	2.7
209.15393	3.7
217.08612	1.6
237.10352	1.7
245.43469	1.2
261.09232	2.0
280.63718	1.4
281.11761	1.6
285.07623	1.7
293.08972	1.7
309.10959	1.8
311.10324	2.0
321.11166	1.9
339.12308	2.4
341.13925	2.9
342.14169	1.3
353.14044	2.5
370.14063	4.2
370.18454	1.5
371.11652	3.1
371.15616	2.2
371.19888	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	370.1131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	7.7
54.76436	1.0
55.01867	2.7
55.05492	1.7
56.05022	1.5
56.96563	1.2
57.03428	3.8
61.02908	1.0
65.03938	1.4
67.05499	13.1
68.99786	2.3
69.03079	1.8
69.03429	30.1
69.07054	3.6
70.06583	4.4
71.04984	4.3
71.58765	2.1
73.02923	1.3
73.87953	1.1
75.48975	1.1
79.05486	4.9
81.03411	31.6
81.07045	3.5
83.04987	1.3
84.04492	1.6
84.08118	2.9
85.02905	37.7
86.03193	1.3
86.09702	1.8
87.00816	8.0
91.05473	2.2
93.07074	1.9
94.06538	1.9
95.04977	8.0
95.08585	2.1
96.04565	1.2
96.05231	1.1
96.08947	1.3
96.55056	1.0
97.02886	7.8
99.04468	2.4
103.03947	1.2
105.03384	18.7
105.07021	4.0
107.08583	2.2
108.08121	2.4
108.08877	1.2
109.02882	12.2
109.06523	2.5
109.10156	2.7
110.03154	1.1
110.05986	1.2
110.10500	1.0
111.04440	1.7
116.07107	1.1
116.98528	1.0
119.08570	3.0
120.08113	6.3
120.08851	1.4
121.06525	1.4
121.10117	2.5
122.06009	8.0
122.09656	1.3
123.08128	1.4
123.11703	2.6
124.07641	1.8
124.12036	1.3
125.05993	1.7
127.03906	12.7
127.78609	0.9
128.04274	1.3
131.07175	1.3
131.08586	2.2
133.06477	1.8
133.10155	1.8
134.05978	3.9
135.11703	1.2
136.07558	1.3
136.12129	1.4
137.05971	2.2
138.05505	1.3
140.07072	13.1
145.10150	1.1
149.09624	1.8
150.09033	2.1
152.07059	100.0
157.10072	1.9
161.05995	1.4
161.09627	1.1
162.13594	1.5
164.07088	4.2
164.10648	1.2
171.02896	2.8
175.11066	1.4
178.08606	5.9
182.08008	1.5
189.03923	8.4
189.12733	1.8
190.12132	9.5
191.14305	1.8
192.10155	13.1
192.14746	1.7
202.08601	1.8
206.08167	4.2
207.13821	3.3
208.14087	5.4
213.09102	1.3
220.09639	13.4
236.09219	1.2
248.09181	77.5
249.09393	1.5
267.14847	1.3
334.09299	6.4
334.20706	1.8
335.11288	1.2
352.10229	4.1
352.18509	1.4
370.14566	1.3
370.19431	3.0
371.16418	1.3
376.22583	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	370.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75071	0.3
54.23780	0.3
55.01889	0.5
56.96569	4.8
57.03436	2.2
58.12395	0.4
61.02924	6.0
65.59766	0.3
69.03427	1.7
69.07062	1.1
70.06590	0.6
70.41055	1.5
71.04964	0.6
73.02922	2.0
74.97585	0.5
75.04516	0.5
81.03423	0.7
84.08143	0.8
84.96040	0.9
85.02910	5.3
85.06512	0.5
85.75221	0.4
86.09705	100.0
87.04457	0.6
87.10044	1.4
88.99141	0.4
89.82547	0.4
91.03957	0.4
91.05798	2.7
97.02887	2.6
98.20829	0.5
98.97565	3.2
99.04427	0.5
104.01277	0.4
109.02872	0.7
113.02408	0.5
113.03486	0.6
115.03910	0.4
116.98585	2.6
117.01820	0.9
118.01024	0.8
119.01790	0.6
127.01553	0.4
127.03909	1.6
128.98621	1.6
131.00174	0.4
132.00775	1.3
132.10205	80.6
133.01741	0.8
133.10551	1.0
134.99690	2.0
135.01248	0.4
136.06227	1.1
136.07669	0.5
139.01546	1.0
141.01250	1.3
141.03149	0.5
145.01671	0.6
145.04935	0.9
146.99663	2.6
147.01266	0.5
147.03114	0.5
148.02074	1.6
148.03851	3.3
149.01233	0.5
150.01802	1.5
150.05519	2.0
154.03891	0.5
155.04637	0.7
157.02579	6.3
157.04424	2.4
157.52641	0.4
158.99695	1.1
159.54648	0.6
161.01183	0.8
162.01860	0.6
163.04456	0.4
165.00722	1.5
166.03105	1.4
168.53394	0.6
169.00778	0.6
170.05122	0.7
170.99696	0.5
177.00739	1.3
177.02365	0.6
177.04198	0.7
179.02190	0.4
188.97031	0.5
189.00769	1.1
189.03989	0.5
190.98610	1.0
191.02133	1.5
193.00233	0.9
195.05453	0.4
197.02145	0.7
198.02895	0.6
200.02583	0.5
201.00778	0.6
201.04602	0.6
205.00154	1.0
205.01830	1.1
206.02704	0.8
206.98093	0.5
209.09271	1.2
211.03455	0.5
212.02553	2.2
212.04408	1.4
213.03459	1.0
213.05334	0.5
215.02254	0.5
219.01801	1.3
221.03111	0.9
223.01283	0.6
226.02312	1.1
232.96407	1.3
233.03151	1.1
235.02823	1.7
235.52995	0.6
237.02808	2.4
242.03467	6.7
242.06004	2.5
242.53801	2.3
247.03453	0.5
248.05569	0.5
249.04135	0.7
249.06285	1.6
250.97644	0.7
251.03958	2.5
251.54237	0.7
252.97086	0.7
257.06079	0.5
258.04599	3.3
258.07132	1.1
263.00702	1.2
264.07053	0.8
267.56265	0.5
268.97818	0.8
277.02283	1.1
285.00903	1.2
307.07120	0.4
346.05020	0.4
347.05191	0.7
355.06824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.2
54.62748	1.7
55.01872	9.6
55.05513	60.8
55.05785	2.9
56.96577	3.2
57.03437	23.4
57.07068	7.0
59.05024	2.2
65.03962	2.4
67.05507	58.8
69.03426	3.6
69.07072	25.7
71.04989	5.9
71.08635	39.1
71.61140	3.1
71.61533	2.2
78.86555	1.5
79.05493	35.5
81.03424	6.2
81.06574	4.1
81.07059	81.7
83.04980	11.1
83.08617	44.7
85.02934	3.9
85.06553	7.3
85.10190	4.3
91.05475	40.0
91.05999	2.9
93.07048	37.0
95.04967	10.1
95.08605	37.8
95.09172	3.1
97.06519	14.5
97.10168	5.1
99.08088	36.7
105.07036	32.5
107.04929	2.5
107.08598	25.3
109.06531	7.9
109.10143	16.8
111.04430	2.0
111.08085	16.5
113.09645	10.2
117.06996	4.0
119.08589	23.7
121.06490	2.0
121.10133	20.7
123.08103	6.6
123.11669	12.1
125.09669	3.5
129.07037	4.9
131.08577	9.5
133.06505	2.2
133.10136	21.2
135.11668	9.7
137.09624	4.2
137.13284	2.7
139.11203	7.1
143.08543	3.4
145.10156	7.3
147.11684	30.8
149.09569	9.0
149.13239	16.4
151.11186	13.4
153.12750	2.0
157.10155	7.3
159.11714	5.2
161.13264	10.6
163.11217	4.6
163.14789	2.7
165.12761	20.5
167.14325	4.0
171.11732	3.9
173.11833	3.5
173.13231	3.9
175.11255	6.1
175.14847	3.2
177.12772	2.1
179.14362	10.9
185.13324	3.9
189.12759	3.3
190.95377	2.7
193.12315	2.4
193.15993	2.6
199.14865	2.4
207.13895	3.9
208.96565	3.2
221.15459	3.0
231.21175	3.8
232.96507	5.2
241.19627	4.4
247.08546	2.0
249.22232	4.9
250.97569	4.0
253.18069	1.9
259.20663	11.2
270.10165	1.9
277.21628	60.2
295.22690	16.9
340.97061	2.1
351.25259	12.4
369.26434	100.0
370.26703	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	9.2
55.01857	22.3
55.05506	65.5
56.96575	9.3
57.03430	15.6
57.07063	14.9
61.60132	5.0
67.05504	70.8
69.03419	7.7
69.07059	35.4
71.04974	11.2
71.08633	44.4
71.60232	11.7
79.05489	47.1
80.93177	6.1
81.03427	9.5
81.07053	100.0
82.32532	4.8
83.04971	17.1
83.08620	43.1
84.28457	5.1
85.06535	9.1
85.10171	12.1
91.05485	51.1
93.07054	55.3
95.04972	27.3
95.08601	57.4
95.60301	5.7
97.06539	17.2
97.10143	6.0
99.08094	36.7
105.07028	39.2
107.08578	34.8
109.06510	18.2
109.10159	33.1
111.08118	32.7
113.09631	16.1
116.95107	6.9
117.07014	10.6
119.08568	33.7
121.10152	26.0
123.08092	10.2
123.11691	13.3
125.09684	12.0
129.07004	9.2
131.08585	16.4
133.10138	32.3
135.11731	11.9
139.11163	14.1
145.10130	30.2
147.11682	43.8
149.09578	14.7
149.13264	12.4
150.38960	6.2
151.07530	9.2
151.11183	16.3
157.10150	8.4
159.11659	10.5
161.13271	16.7
163.11169	13.2
165.12810	28.6
171.11673	15.2
173.11855	9.0
175.11166	10.0
175.14883	8.3
179.14372	12.0
189.12744	9.2
190.95357	17.1
195.21292	7.1
207.13741	10.9
208.96437	11.3
215.64523	8.7
229.07544	7.3
231.21065	7.1
232.96455	13.3
247.08496	12.1
250.97459	16.2
259.20569	10.3
264.56476	6.0
277.21622	93.6
295.22632	17.9
351.25674	30.1
369.26144	68.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2639
Annotation	Cortol
Peak:m/z	Relative Intensity
54.86296	3.3
55.01887	4.3
55.05510	18.3
57.07069	7.9
67.05492	23.7
69.03437	7.7
69.07082	19.3
69.91814	7.2
69.92224	14.6
71.08640	22.0
79.05499	13.3
81.07063	28.2
83.08614	10.8
85.06535	5.4
89.90691	3.1
90.57148	4.1
91.05494	12.8
93.07040	23.7
95.04987	11.7
95.08608	26.6
97.02905	3.3
97.06532	6.5
97.10151	4.8
99.08096	14.5
100.72968	4.3
105.07006	15.9
107.04907	3.8
107.08604	19.4
109.06515	25.5
109.10158	11.5
111.08080	3.4
117.07009	5.2
119.08617	17.6
121.06523	12.9
121.10140	8.2
123.08103	7.2
123.11735	4.7
131.08572	12.1
133.10143	11.8
135.08102	5.5
135.11717	4.7
139.11165	4.6
145.10117	5.7
147.11685	7.7
149.13254	5.9
161.13289	6.8
163.11215	7.6
165.12791	40.8
171.11694	4.7
173.13248	3.4
177.12769	11.8
179.14357	9.5
181.15900	5.8
185.09747	4.6
190.95370	6.3
191.14311	4.8
193.05057	4.4
206.76291	3.2
208.96457	3.4
215.92958	3.2
232.96468	6.5
236.76906	3.3
261.22058	18.1
265.20132	3.0
271.20609	5.0
277.21777	7.5
289.21631	69.5
293.07367	4.1
307.22662	24.7
333.24295	42.2
351.25372	100.0
352.25702	6.6
369.24011	5.0
369.28336	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.3
53.12112	3.0
55.01874	2.9
55.05514	24.6
56.96554	5.9
57.03437	15.5
57.07084	14.6
61.72699	2.9
65.71113	2.6
67.05176	3.8
67.05508	48.6
67.79491	2.6
69.03428	5.7
69.07059	20.4
70.16403	12.0
71.04986	8.4
71.08626	11.6
76.75517	2.7
79.05500	30.1
81.03429	14.8
81.07056	42.7
83.04974	12.5
83.08611	12.6
84.87771	2.7
85.02908	7.8
85.06534	6.1
85.10186	23.5
91.05476	27.5
93.07044	36.2
95.04976	19.6
95.08604	29.3
97.02884	2.8
97.06516	6.5
97.10152	11.3
99.04488	2.8
99.08089	15.0
105.07030	25.5
107.04954	5.7
107.08585	24.4
109.06512	7.4
109.10158	34.3
111.08070	4.0
113.09654	17.9
117.07040	4.6
119.08576	14.9
121.10146	11.8
123.08104	4.6
125.09623	10.2
129.06993	7.8
131.08580	10.1
133.10152	22.5
135.08073	4.6
135.11681	8.6
137.09599	4.2
143.08545	3.1
145.10110	11.7
147.11691	13.2
149.09647	5.0
149.13162	3.0
151.07593	4.3
151.11168	24.2
157.10098	3.2
159.11676	5.7
161.13298	6.3
163.11195	7.3
165.12761	32.0
171.11752	5.2
173.11670	6.0
173.13145	3.4
179.14337	3.9
181.12180	3.6
189.11192	9.3
189.12727	3.6
190.95285	3.1
191.00134	6.2
207.13846	8.3
208.96489	4.6
227.12752	5.4
229.07420	3.2
232.96402	8.2
245.13863	4.0
247.08643	3.2
250.97441	8.4
253.17953	4.2
259.20676	5.3
277.21609	72.9
278.21799	3.4
295.22702	100.0
351.25293	18.3
369.13501	5.6
369.26688	35.6
377.92953	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	369.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	14.7
55.05514	57.5
55.48497	5.7
56.96552	10.6
57.03426	19.1
57.07057	14.4
67.05505	88.5
69.07058	44.4
70.37147	26.1
71.04988	10.7
71.08635	37.9
73.50440	6.3
79.05495	57.4
81.03402	24.7
81.07061	86.9
83.04971	22.7
83.08612	28.9
85.02879	9.2
85.06535	17.3
85.10148	6.2
91.05480	59.0
93.07043	64.9
95.04953	22.0
95.08615	54.5
96.08898	6.2
97.06492	23.5
97.10161	23.2
98.20839	6.3
99.08086	33.9
105.07029	38.2
107.04896	6.2
107.08618	45.6
109.06494	12.7
109.10163	51.9
111.08068	11.1
113.09641	13.6
114.99705	6.2
117.05610	5.3
117.07024	18.7
119.08582	23.4
121.10123	21.2
123.08055	9.2
123.11680	9.2
125.09614	17.1
127.03928	8.0
129.06996	12.3
131.08543	22.5
133.10118	30.5
135.08142	6.2
135.11676	23.5
137.05948	40.2
138.06300	8.5
143.08582	12.7
145.10115	18.5
147.04387	17.9
147.08084	7.3
147.11678	23.0
148.04706	6.9
149.09628	13.1
149.13263	14.6
151.11189	56.1
159.11673	13.0
161.13187	17.3
163.11166	18.0
165.12688	28.4
171.11658	16.6
173.11755	20.0
173.13173	7.5
175.11212	9.1
179.14317	20.2
189.11166	19.0
189.12773	8.6
190.95363	17.6
207.13846	8.4
208.96500	10.7
218.17053	6.1
223.15173	5.6
227.12744	9.7
232.96429	14.7
233.11734	9.2
241.19591	7.2
245.13803	8.7
250.97588	19.1
253.17966	8.5
259.20523	13.7
269.17487	8.3
277.21613	100.0
295.22598	55.3
347.15244	6.3
351.25372	60.3
369.26733	28.1
375.46127	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	369.2426
Annotation	5-Methyl-3-farnesyl-3-hydroxycoumarane
Peak:m/z	Relative Intensity
54.55056	5.8
55.05500	18.4
56.60210	6.4
57.07072	10.7
63.91220	6.2
67.05508	31.2
68.83630	6.2
69.03440	6.1
69.07068	25.7
71.59016	7.3
71.59424	7.1
79.05473	25.4
81.07037	34.3
83.08605	13.4
85.06554	6.6
91.05476	37.8
93.07064	42.2
95.04970	18.9
95.08609	72.7
97.06532	10.3
103.05491	7.6
105.07013	42.7
107.04967	8.5
107.08596	58.7
109.06499	9.3
109.10154	32.7
111.08080	22.3
116.17708	5.9
117.07049	15.8
119.08598	100.0
121.06471	8.0
121.10159	56.2
122.74635	7.7
123.08092	15.1
123.11715	12.2
128.06261	7.5
129.07001	11.8
131.08559	35.5
133.10123	51.0
135.08044	23.8
135.11687	21.6
137.05983	56.0
137.09650	8.9
139.07552	9.4
142.07828	11.4
143.08530	25.3
144.09245	7.4
145.10143	38.7
147.08054	15.9
147.11665	26.2
149.09604	18.7
155.08513	14.2
156.09389	17.8
157.10162	47.9
158.10844	8.3
159.08047	16.0
159.11627	39.9
161.09608	12.5
161.13191	9.1
163.07538	9.5
163.11273	9.9
165.09125	6.7
169.10123	16.2
171.11713	23.3
173.13278	18.0
175.14877	31.7
177.09128	9.5
177.12743	8.2
181.10184	10.5
183.11667	20.7
185.13234	12.2
187.11179	8.1
187.14821	15.6
189.12686	8.5
195.11633	12.2
197.13225	13.7
199.11214	8.2
199.14859	10.2
201.12674	6.3
205.15897	10.1
209.13277	15.1
211.11259	10.8
211.14880	7.9
213.12723	9.6
219.11763	8.7
223.14714	11.5
225.16336	6.5
229.12196	8.9
237.16341	7.7
239.17844	7.9
253.16045	6.3
257.15411	6.3
265.19626	13.5
275.10739	6.3
351.23169	22.4
369.24213	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	369.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01862	5.8
55.05509	5.3
56.96537	1.3
57.03426	2.9
57.07061	1.0
67.05507	8.3
69.03427	2.1
69.07062	5.5
69.87032	6.4
71.08620	1.1
72.16629	0.9
79.05482	6.6
79.06247	0.9
81.03392	1.4
81.07056	27.8
83.04971	4.3
83.08610	2.3
86.63802	1.1
91.05482	4.6
93.07050	6.8
95.04984	2.3
95.08601	8.9
97.06509	2.5
97.65059	1.0
98.21454	2.1
105.07021	4.6
107.08586	6.4
109.06514	11.7
109.10168	2.8
111.04438	15.4
111.08054	1.9
117.07066	1.6
118.92769	1.0
119.08572	5.0
121.10124	5.1
123.08112	2.4
123.11731	1.7
125.06003	7.0
128.60889	1.0
129.06978	1.0
131.08543	3.8
133.10124	5.6
135.08035	3.0
135.11697	6.8
137.05972	100.0
137.13214	1.3
138.06322	1.9
143.08533	2.4
145.10121	4.0
147.08040	1.9
147.11684	8.3
147.67781	1.1
149.09599	4.0
149.13335	2.3
151.07597	1.9
151.11172	1.9
157.10136	2.8
159.11641	1.6
161.09639	8.7
161.13312	2.5
163.11197	3.3
165.09123	3.0
167.07051	1.2
167.10703	1.0
171.11656	1.8
173.11731	1.0
173.13232	1.8
175.11191	5.2
175.14812	1.9
177.12688	1.1
179.10666	2.5
181.10172	1.2
181.12263	1.2
183.11696	1.2
189.12701	1.4
190.95366	1.7
203.17963	5.6
207.03331	1.0
208.96539	1.7
213.16290	1.7
221.19049	2.1
231.17458	9.3
232.96399	2.6
249.18510	13.3
250.97523	1.8
259.16876	1.3
277.17990	61.5
278.18381	2.1
295.19025	26.5
296.19406	1.1
351.21674	14.4
369.22644	9.9
386.47232	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1908
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.9
55.05507	6.6
57.03429	7.6
57.07053	2.7
59.05005	2.3
60.67928	1.7
61.02917	5.9
66.67528	1.8
67.05490	8.4
69.03436	29.8
69.07070	9.8
69.83398	4.9
69.83813	8.6
70.06587	8.6
71.04981	6.5
72.08141	4.1
73.02901	5.2
79.05482	7.3
80.60870	1.9
81.03424	10.2
81.07051	8.9
83.04968	9.7
83.08611	2.0
84.04488	2.7
85.02908	35.7
85.06542	3.6
86.09685	3.3
87.04420	2.4
91.05488	13.7
93.07063	14.5
95.04975	10.7
95.08616	7.9
97.02895	21.3
97.06496	4.3
98.21450	4.0
99.04454	5.9
99.08093	2.6
103.03923	2.8
103.05472	2.2
105.07033	24.7
107.04968	2.8
107.08598	22.0
109.02889	13.8
109.06507	9.1
109.10151	10.8
111.04376	3.4
111.08088	9.0
113.92522	2.5
116.98611	3.2
117.07011	3.3
119.08566	20.5
120.08062	2.3
121.06510	12.2
121.10145	27.5
123.04412	2.7
123.08051	6.4
123.11669	4.1
125.09628	3.2
127.03892	14.3
129.07004	4.3
131.08580	7.0
133.06493	14.4
133.10130	23.1
135.04445	2.5
135.08049	8.7
135.11729	6.2
136.07562	2.5
137.05972	3.9
137.09613	13.6
139.07544	2.0
142.14757	1.9
143.08557	5.0
145.04956	9.5
145.06482	4.2
145.10103	7.8
147.08002	10.1
147.11678	17.4
149.05997	3.2
149.09627	47.7
149.13226	4.8
151.07588	3.5
151.11185	72.4
152.11473	2.1
156.09343	6.0
157.10062	2.9
159.08092	11.0
160.08801	3.2
161.09595	9.9
161.13255	16.6
163.07570	3.7
163.11186	22.1
165.05238	2.2
165.09111	2.1
165.12782	4.4
167.03389	2.5
167.10657	2.7
171.11650	10.9
173.09679	4.0
174.10405	27.4
175.11209	2.8
177.00667	1.9
177.09117	2.1
179.03397	6.8
179.07016	2.7
179.10716	4.1
187.07416	2.9
187.11295	4.5
189.12737	100.0
190.13094	3.1
191.10687	2.7
191.14313	36.9
201.09206	2.9
205.12273	2.7
207.06384	3.7
207.13799	79.2
215.10716	2.2
229.08580	2.7
231.13911	2.5
237.02901	3.4
237.14806	2.8
249.15112	2.7
273.14697	3.9
287.61929	2.3
291.16043	2.4
303.15921	3.3
307.15350	2.4
315.15738	3.2
351.17981	8.6
369.15097	31.1
369.19162	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	369.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	11.3
55.01877	7.8
55.05504	11.3
55.49963	4.4
57.03436	10.5
57.07060	9.3
61.02902	5.3
62.60889	4.8
64.87811	5.3
67.05502	20.7
67.09531	4.3
69.03432	41.9
69.07074	31.6
70.06587	19.1
71.04987	18.7
71.59345	9.0
77.80064	4.6
79.05492	27.4
81.03426	47.1
81.07063	100.0
83.04992	11.3
85.02906	70.5
87.04494	5.2
91.05503	12.9
93.07034	18.5
95.04967	22.7
95.08624	23.0
97.02901	36.0
97.06549	15.9
98.97608	6.2
98.98518	5.0
99.04477	11.0
105.07039	42.0
107.04913	6.0
107.08613	27.8
109.02864	6.8
109.06512	34.9
109.10171	22.8
110.07153	5.9
111.04404	6.4
111.08106	8.0
111.15159	4.8
116.07126	7.5
116.98579	7.4
117.07056	5.5
119.04933	5.1
119.08601	31.6
121.06491	5.2
121.10136	48.8
123.04433	17.0
123.08068	12.0
123.11724	30.0
127.03893	29.5
129.05583	5.0
129.06990	6.2
131.08559	12.3
133.06381	7.1
133.10138	16.7
134.99646	7.4
135.04431	18.2
135.11732	5.0
137.05974	6.5
137.13237	5.5
145.04991	14.0
145.10110	11.1
147.04341	10.2
147.06438	6.6
147.11656	31.9
149.09625	8.0
151.07513	9.8
161.07121	5.0
161.13246	20.9
163.04033	6.1
164.07054	6.6
165.12735	42.8
167.03465	6.2
167.97044	5.0
171.11597	7.1
179.03377	9.5
189.12758	54.3
195.06412	6.9
207.13887	26.4
207.68777	4.6
213.12419	13.2
223.13556	5.8
264.10513	10.0
295.61511	4.7
299.11636	5.4
304.67715	5.2
325.27374	5.5
349.11978	5.4
351.17975	18.6
369.15222	8.4
369.19226	63.9
370.15482	6.4
376.80167	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	369.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	2.5
55.01865	3.3
55.05507	5.6
57.03422	4.1
57.07084	1.5
59.04991	1.5
61.02915	3.1
67.05499	7.7
69.03421	14.5
69.07056	5.2
69.28271	1.1
70.06577	4.0
70.80061	2.7
71.04977	4.2
73.02913	1.8
75.60137	1.0
79.05476	9.0
81.03408	6.1
81.07065	14.0
83.04980	7.5
83.08607	1.7
85.02899	27.7
85.06533	6.8
86.09703	2.7
91.05479	11.5
93.07035	11.4
95.04975	21.1
95.08598	12.9
97.02871	8.0
97.06531	3.8
99.04455	3.7
99.08114	1.1
101.06010	1.4
103.05464	2.0
105.07034	12.7
106.04118	1.7
107.04949	2.0
107.08588	23.7
109.02882	3.4
109.06519	17.0
109.10168	6.9
110.06037	1.2
111.04440	1.5
111.08112	2.6
113.05959	1.8
117.07005	3.7
119.04984	1.9
119.08569	12.9
120.08079	2.1
121.06490	4.2
121.10125	10.4
122.03554	1.4
123.08080	12.1
123.11713	3.3
124.07489	1.1
125.05981	1.6
125.09667	2.3
126.80276	1.0
127.03928	5.4
128.06223	1.7
129.06992	4.4
130.30757	1.0
131.04892	1.7
131.08559	9.6
133.06497	6.7
133.10127	8.0
135.04433	3.6
135.08051	10.4
135.11728	1.9
137.05968	12.3
137.09619	6.9
139.07510	1.4
139.11163	2.2
139.98059	1.0
143.08565	5.0
145.05006	2.5
145.10107	8.8
147.08023	11.9
147.11647	8.1
149.05945	3.1
149.09612	5.2
151.07547	22.1
151.11186	2.3
153.09117	1.4
153.12766	1.3
156.09389	5.6
157.10100	2.0
159.08052	2.9
159.11734	2.6
160.08815	2.5
161.05952	5.8
161.09584	5.1
161.13275	3.0
163.03781	1.7
163.07535	1.5
163.11176	9.7
165.09131	2.0
165.12766	2.0
167.10643	1.7
169.10100	1.3
171.11700	5.8
173.09631	2.1
173.13210	3.0
175.07574	1.7
175.14906	1.3
177.05486	3.2
177.09085	1.4
177.12819	2.0
179.10591	1.3
181.08588	1.4
187.07552	2.8
189.09084	4.1
189.12733	100.0
190.13049	2.3
191.10587	1.9
191.14297	8.9
193.08521	1.6
199.07617	1.3
203.05286	7.3
207.10046	2.1
207.13799	39.4
214.12697	2.2
215.10854	1.4
237.14793	1.8
249.14983	1.5
255.26476	1.3
283.11554	1.8
301.11380	1.5
304.66049	1.3
315.15961	1.5
333.16962	1.5
333.20663	2.8
351.17947	2.5
351.21793	4.4
369.11420	8.1
369.15195	27.0
369.19128	6.2
369.23056	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	368.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
60.43615	0.3
61.02921	1.5
65.36639	0.4
65.96090	0.4
69.03431	2.7
71.04027	0.8
79.14582	0.4
81.03438	0.9
85.02903	6.4
85.03367	0.6
87.04485	0.6
97.02883	2.5
109.02909	0.6
109.47467	0.4
127.03928	1.4
128.85901	0.4
132.04457	7.3
136.59714	0.5
145.04935	1.3
160.03845	0.5
178.04994	70.0
179.05374	2.0
189.55591	0.4
201.23907	0.5
206.04485	100.0
207.04784	2.4
368.09717	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51388	0.7
51.53313	0.6
53.03935	0.8
54.11333	0.7
55.01865	2.8
55.05268	1.2
55.05510	13.6
55.75007	0.8
56.05875	1.0
56.96544	1.0
57.03421	2.4
57.07071	1.0
58.06606	4.6
60.04524	16.1
60.89960	0.7
64.59499	0.8
65.03954	0.9
67.05503	13.8
69.03419	2.7
69.07069	11.2
70.06584	1.9
71.04989	4.5
71.33391	1.6
72.04501	1.0
77.25810	0.7
79.05492	13.4
79.22213	0.7
80.04996	1.2
81.03388	2.5
81.07056	13.9
82.07353	0.8
83.04963	2.1
83.08615	7.6
84.08130	7.5
85.02898	1.0
85.06536	2.6
86.09707	23.9
88.07631	2.6
91.05479	7.3
93.07040	11.9
94.06549	1.1
95.04980	6.0
95.08591	5.3
96.08121	2.6
97.02885	0.9
97.06525	3.5
97.10171	14.7
98.09716	0.8
100.07615	2.4
103.05386	0.7
105.07016	6.1
107.04971	2.9
107.08592	8.4
108.08140	0.8
109.06482	3.9
109.10159	3.1
110.92155	0.7
111.08062	1.1
112.07603	21.7
112.17747	0.7
113.05988	1.7
114.09139	1.3
115.05512	0.8
117.06998	3.3
119.08553	4.3
120.08140	1.1
121.06494	0.7
121.10136	6.8
122.09658	5.6
123.08064	2.5
124.07606	1.1
125.09618	10.2
126.09144	1.4
128.10715	23.6
128.11661	1.4
129.07001	1.6
130.08641	1.9
131.08572	5.2
133.10132	2.0
135.08044	3.2
135.11726	2.5
136.11206	1.0
137.09627	0.9
138.12766	2.6
142.67427	0.8
143.08591	1.6
143.10689	0.9
145.10109	3.5
146.09650	1.4
147.08049	1.2
147.11699	1.8
148.11198	2.2
149.09578	1.8
149.13248	0.8
151.11171	0.7
153.09039	1.0
154.08601	5.7
154.12239	0.7
156.10168	1.7
157.10147	1.3
159.11697	3.0
161.09554	1.0
161.13210	1.0
163.11168	1.1
165.12657	1.0
169.10216	1.0
172.09668	7.6
173.13284	1.0
177.12810	1.2
180.13835	12.1
189.11221	8.4
195.13887	1.1
201.09163	1.0
221.15382	1.4
223.13248	4.3
224.16338	1.0
241.14378	1.5
256.65405	0.8
268.15680	1.0
272.19971	1.3
273.18555	3.4
290.21204	9.0
291.19412	7.4
308.22189	11.0
309.17435	1.1
327.18427	1.0
332.22104	1.7
350.23242	23.1
351.23660	1.4
368.24326	100.0
369.24622	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	367.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	42.0
57.07065	19.9
67.05509	74.4
67.05817	17.6
69.07059	46.4
70.76550	48.4
72.25684	14.4
79.05496	29.9
81.07050	62.0
83.08640	27.0
85.06538	21.4
91.05493	57.5
93.07051	88.5
95.04979	35.9
95.08602	78.5
97.06563	24.2
105.07036	80.0
107.08579	78.0
109.10166	66.0
115.33054	17.4
117.07002	22.2
119.08569	100.0
121.06496	15.2
121.10129	84.6
123.11720	17.1
128.06308	19.8
129.06958	22.6
131.08583	53.9
133.10115	76.9
135.11719	23.7
137.09583	20.6
142.07739	17.9
143.08592	57.8
145.10141	72.9
147.11707	44.3
149.09650	19.7
149.13310	17.6
155.08623	22.4
157.10164	50.6
159.11719	36.6
161.09644	57.5
169.10201	23.9
171.11668	37.3
173.06482	17.3
173.13191	32.8
175.14838	23.3
183.11780	31.0
185.13235	26.1
209.13327	25.7
227.14241	23.4
242.18666	15.6
367.26364	34.7
367.30737	50.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	7.8
55.01864	4.8
55.05516	23.8
57.02243	3.3
57.07066	7.8
66.80901	3.4
67.05508	44.3
67.61160	3.3
69.03428	9.2
69.07071	28.9
69.36638	17.6
69.37071	18.2
71.04990	11.6
76.69641	3.6
79.05501	36.4
81.07059	54.5
83.04987	6.4
83.08623	8.5
85.06544	17.8
91.04964	6.2
91.05484	58.4
93.07050	80.4
95.04958	32.7
95.08617	65.8
97.06517	13.7
98.20767	7.2
105.07042	96.7
107.07448	4.5
107.08596	62.5
109.06537	18.1
109.10155	43.8
111.08076	5.6
115.05475	6.3
117.07058	22.0
119.08583	100.0
121.06499	13.6
121.10158	42.8
123.08051	6.7
123.11722	11.9
128.06238	9.6
129.06976	17.2
130.07784	11.9
131.08568	62.3
133.10138	47.9
135.08052	12.7
135.11714	24.1
137.09624	7.8
141.06989	10.3
142.07802	21.7
143.08556	40.8
144.09319	11.2
145.10124	66.4
146.07271	10.4
147.08040	13.9
147.11673	27.1
149.09630	17.2
149.13261	7.2
155.08571	13.7
156.09331	11.8
157.10149	59.6
158.10936	6.7
159.08093	5.7
159.11700	47.2
161.09642	40.4
161.13280	9.2
163.11234	7.3
167.08536	7.0
169.10141	18.6
170.10921	10.4
171.11725	30.0
173.13211	22.6
175.11227	7.7
175.14825	27.3
179.08560	12.3
181.10121	10.9
182.10924	4.9
183.11665	20.9
185.09674	5.7
185.13307	15.9
187.14816	12.4
189.12654	5.9
193.09927	4.4
194.10899	9.1
195.11717	12.3
197.13283	16.4
199.14825	16.0
201.12740	6.3
201.16423	5.1
207.11729	6.2
209.13272	24.5
211.14832	7.1
213.12724	7.4
213.16321	8.2
215.17863	4.5
217.15866	3.9
221.13156	5.7
223.14822	4.8
224.15437	3.8
225.16383	5.0
227.14284	20.0
237.16422	7.4
239.17943	11.5
247.14702	4.2
251.17990	4.6
253.09276	3.7
257.19113	6.3
265.19565	5.0
269.18881	6.0
349.25104	7.9
367.26569	21.4
367.30365	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	367.248
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03942	2.3
55.01880	5.7
55.05509	12.2
56.96570	2.5
57.03429	5.3
57.07060	3.1
57.28146	1.3
67.05174	2.0
67.05505	25.9
67.05845	1.0
67.10163	1.1
69.03423	1.6
69.07074	17.3
71.04997	2.1
79.05495	21.0
81.03425	2.3
81.07055	28.7
83.04971	6.6
83.08205	1.1
83.08611	6.3
85.06544	1.7
91.05479	20.7
93.06472	1.7
93.07043	24.9
94.91122	1.1
95.04969	7.3
95.08601	17.7
97.06510	4.0
97.10154	3.0
99.08086	1.4
105.07032	24.5
107.04941	8.0
107.08589	15.1
109.06522	9.8
109.10156	5.6
111.08076	1.8
117.07021	8.1
119.08583	17.7
121.06493	10.0
121.10136	10.2
123.08047	5.2
123.11683	2.8
125.09605	1.7
129.07013	2.8
131.08560	16.7
133.06485	3.6
133.10118	18.0
135.08066	6.6
135.11691	4.6
137.09660	2.4
143.08542	2.8
145.06473	3.0
145.10109	12.7
147.08051	3.9
147.11674	11.9
149.09616	7.5
149.13266	2.5
151.11189	5.0
155.08591	2.1
155.92708	1.2
157.10149	4.0
159.08025	2.9
159.11668	11.4
161.09645	4.2
161.13306	2.9
163.03886	1.0
163.11172	7.6
170.49937	1.2
171.11684	4.3
173.09598	3.5
173.13239	5.1
175.11200	2.4
177.12740	3.2
183.11710	3.5
187.11205	2.4
187.14825	2.3
189.12729	1.2
191.14233	2.3
197.13202	2.9
201.12733	4.3
207.13728	1.7
207.67004	1.2
215.14267	1.3
215.17949	2.0
219.13747	3.1
239.17892	2.9
247.20578	4.9
257.19019	15.4
275.20056	100.0
276.20425	4.8
293.21118	11.4
349.23740	48.4
350.24048	2.5
367.17996	1.8
367.25116	21.3
368.24524	1.7
390.27975	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	367.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	29.1
58.50634	9.0
67.05484	37.0
67.57584	9.5
69.03410	11.7
69.07053	26.7
70.80502	10.0
71.04980	12.1
71.61004	17.9
79.05488	26.6
81.07060	66.2
83.08655	14.6
85.06538	11.4
91.05463	60.3
93.07037	83.5
95.04952	35.9
95.08601	50.8
97.06511	19.8
105.07030	100.0
107.08584	66.0
109.06513	13.5
109.10184	50.3
111.08044	12.9
113.29237	10.6
117.06982	26.8
119.08582	92.8
121.06536	18.9
121.10186	54.3
123.11661	13.3
128.06244	15.0
129.06953	13.7
131.08568	51.6
133.10129	72.5
135.08006	10.0
135.11691	32.7
137.09590	10.3
142.07790	11.1
143.08556	48.0
145.10086	50.7
147.11697	20.3
149.09503	14.6
149.72977	9.6
157.10104	51.7
159.11678	45.3
161.09613	33.6
161.13261	14.1
169.10091	14.4
171.11699	32.2
173.13264	18.7
175.11154	14.2
175.14827	20.7
183.11594	16.0
185.13217	21.1
195.11589	18.9
197.13232	19.1
199.14844	19.0
209.13319	16.7
227.14272	25.8
349.25180	21.0
367.26212	21.7
367.30127	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.5
55.01865	7.3
55.05514	23.9
56.96570	3.1
57.03439	21.1
57.07063	2.5
63.93293	2.5
65.03951	2.9
67.05506	50.9
69.03416	4.8
69.07073	40.3
71.04999	4.1
71.59655	3.4
79.05504	45.4
81.03394	4.8
81.07061	100.0
83.04985	6.1
83.08615	11.2
85.06546	4.6
91.05489	31.7
93.07046	29.4
95.04973	10.0
95.08609	31.7
97.06566	14.3
97.10171	3.7
99.08098	6.1
105.07031	32.3
107.04936	7.0
107.08603	20.0
109.06515	18.3
109.10154	12.9
111.08091	6.3
117.07018	9.2
119.08579	20.9
121.06505	3.7
121.10134	17.5
123.08071	9.1
123.11705	11.6
125.09653	2.4
129.07022	4.5
131.08569	11.1
133.10123	13.8
135.08012	4.2
135.11688	6.4
137.09590	5.9
138.34618	2.4
143.08521	3.3
145.10161	11.2
147.11684	21.9
149.09630	10.7
149.13283	4.8
151.11159	2.7
157.10144	6.9
159.11687	5.9
161.09685	3.1
161.13316	3.3
163.11214	7.7
165.12779	7.2
169.10196	2.9
173.09727	2.4
173.13257	5.5
177.12762	5.5
185.13293	2.6
185.65427	2.4
193.12198	3.4
197.13255	2.5
208.90892	2.8
229.07513	3.1
247.20631	6.6
257.19031	6.5
275.20087	48.5
293.21176	11.9
349.23709	10.4
367.18079	4.8
367.24985	53.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25888	1.0
52.80180	1.1
53.00296	1.3
55.01864	4.6
55.05261	1.9
55.05511	23.2
56.96561	1.2
57.03439	8.0
57.07072	2.5
58.11325	1.3
59.04983	1.5
67.05508	23.6
69.03431	3.9
69.07070	23.1
70.25990	4.9
71.08634	30.8
79.05492	16.6
81.03420	3.3
81.07063	21.4
81.71956	1.1
83.04978	3.6
83.08649	6.9
85.02943	1.4
85.06541	1.5
91.05477	7.3
93.07043	13.2
95.04984	5.4
95.08615	9.5
97.06525	2.8
97.10183	10.4
99.08092	25.9
105.07033	6.9
107.04952	3.2
107.08594	10.7
109.06513	3.8
109.10169	6.5
111.08064	1.7
117.07018	4.4
119.08606	5.1
121.06538	3.3
121.10171	4.3
123.08098	2.7
125.09627	7.6
129.06981	1.9
131.08562	3.7
133.10152	2.7
135.08055	2.6
135.11722	3.2
139.11166	2.1
145.10167	3.0
147.11676	2.0
149.09637	2.3
149.13257	1.7
151.11131	1.4
157.10106	1.9
159.11693	1.3
163.11238	2.3
165.12761	1.1
167.10719	3.6
170.25037	1.1
173.11838	1.3
177.12810	3.2
189.11224	3.6
195.13907	1.6
223.14880	1.1
227.12741	1.3
229.19635	1.3
247.20622	2.2
275.20020	10.6
280.28116	1.3
280.48621	1.2
293.21118	100.0
294.21484	4.3
367.24881	41.0
368.25107	3.6
368.31467	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	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.0
55.01872	10.3
55.05264	1.9
55.05511	20.5
56.96568	2.5
57.03444	9.4
57.07058	3.4
59.04992	1.7
61.02927	1.8
65.03947	2.2
65.26574	1.8
67.05506	40.8
69.03418	4.1
69.07069	22.2
71.04988	3.5
71.08639	1.9
71.59778	3.0
73.02917	1.7
73.18808	1.3
75.04453	1.6
79.05059	2.4
79.05490	29.5
80.49216	1.3
81.03410	6.3
81.06585	2.1
81.07059	42.9
83.04972	10.4
83.08620	13.1
85.02894	2.5
85.06548	1.7
85.92077	1.5
86.12233	1.3
89.51104	1.7
91.05486	27.7
93.07038	32.2
95.04965	23.0
95.08611	18.3
97.02913	2.9
97.06002	1.5
97.06543	10.2
97.10157	7.3
99.04436	2.5
99.08077	3.5
101.96935	1.5
105.03455	1.7
105.07030	30.6
107.04961	15.5
107.08596	25.3
109.06505	13.6
109.10162	14.9
111.04445	6.4
111.08076	5.0
116.98625	1.7
117.05457	1.5
117.07014	9.1
119.08572	21.9
121.06519	11.1
121.10149	16.1
123.08057	6.7
123.11659	2.6
125.09587	7.4
128.06213	2.7
129.06999	3.9
131.08563	20.6
133.02821	6.8
133.06477	2.6
133.10132	18.3
135.08047	6.2
135.11697	8.8
137.06007	2.1
137.09612	3.5
141.06921	2.2
143.08578	3.7
145.10141	17.2
147.08043	4.0
147.11681	11.8
149.09622	13.8
149.13257	4.1
151.11168	3.6
155.08675	2.4
157.10149	4.7
159.08025	3.0
159.11687	8.5
161.09647	3.1
161.13269	2.3
163.11191	14.2
163.83511	1.5
165.12779	3.4
169.10126	2.2
171.11714	3.1
173.09584	3.2
173.13275	4.8
175.11169	2.8
177.12787	2.7
183.11664	2.0
187.11281	2.7
187.14873	2.0
189.11203	5.0
189.12819	2.1
197.13275	3.0
201.12758	2.5
205.12285	3.8
207.13698	1.7
219.13905	1.6
223.13303	8.0
227.12833	2.8
229.19543	2.1
239.17827	3.1
247.20627	4.8
257.19009	11.1
265.21454	2.3
267.15845	1.5
275.20062	100.0
276.20383	6.4
285.09933	3.4
293.21106	16.2
326.99896	1.5
349.23767	37.4
350.24127	3.0
367.14938	9.5
367.24963	40.4
368.24789	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
53.24343	3.0
53.61687	3.6
55.01861	10.9
55.05510	33.3
56.96559	4.9
57.03433	18.2
57.07081	6.2
67.05507	67.1
69.03432	6.4
69.07058	34.6
70.65450	9.2
70.65810	7.2
71.04993	5.6
71.08664	3.7
79.05489	45.1
81.03410	8.2
81.07059	100.0
83.04967	9.3
83.08616	14.4
85.02882	4.7
85.06552	5.6
86.35180	3.7
91.05479	36.9
93.07040	36.7
95.04980	18.5
95.08603	44.7
97.06520	15.7
97.10152	7.3
99.08094	5.9
105.07040	42.0
107.04951	12.6
107.08597	34.2
109.06512	16.0
109.10155	18.2
111.08087	4.4
113.90739	4.3
117.07035	11.9
119.08578	41.4
121.06499	4.3
121.10119	19.6
123.08079	13.0
123.11686	8.8
125.09636	7.1
129.07053	5.9
131.08572	18.5
133.10143	29.1
135.08035	6.1
135.11694	10.2
137.09612	7.1
145.10100	20.3
147.11705	18.8
149.09615	17.2
149.13252	10.4
157.10100	7.4
159.11716	13.8
163.11182	7.8
165.12715	5.7
171.11711	4.3
173.13300	10.1
175.03981	3.8
175.11153	6.7
195.13831	4.8
213.68111	3.5
235.16989	3.7
247.20502	6.4
257.18933	9.5
275.20062	65.0
293.21063	8.6
349.16840	5.0
349.24066	28.0
367.17615	7.7
367.25519	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	5.6
53.54747	2.9
55.01871	24.9
55.05260	5.4
55.05513	72.3
56.96568	9.3
57.03434	30.8
57.07076	7.5
59.04991	4.0
60.10427	3.2
61.02924	7.9
65.03926	6.5
67.05502	87.5
69.03440	10.0
69.07070	49.5
71.04990	17.6
71.08633	4.2
75.70680	3.2
79.05058	5.9
79.05490	75.2
81.03414	16.2
81.07051	100.0
81.07525	6.3
83.04977	40.9
83.08618	45.1
83.80389	3.4
85.02892	16.6
85.06546	5.3
91.05474	48.3
93.07044	73.7
95.04968	58.2
95.08606	47.9
97.02872	8.3
97.06573	17.3
97.10174	18.1
99.04469	20.0
99.08096	5.6
105.07034	42.0
106.04990	4.6
107.04973	17.6
107.08588	74.2
109.06503	22.6
109.10142	31.0
111.04435	46.6
111.08082	16.1
117.07014	13.8
119.08575	35.2
121.06511	8.5
121.10146	45.9
123.08079	11.6
123.11739	6.5
125.05968	4.7
125.09648	26.4
129.05525	3.5
129.06972	7.5
131.08574	30.1
133.06551	3.8
133.10146	27.4
135.08067	10.6
135.11708	22.5
137.09653	7.8
138.93858	3.3
139.11171	7.7
139.59543	3.5
143.08482	4.7
145.06517	8.7
145.10135	30.5
147.08049	6.9
147.11664	24.4
149.09605	41.6
149.13260	7.2
151.11179	8.4
153.12743	5.4
157.10117	10.5
159.11726	19.4
161.13252	6.6
163.11176	41.0
165.12691	7.4
167.10681	6.7
169.10112	6.3
171.11757	4.2
173.11836	6.3
173.13293	7.1
175.11185	5.1
177.12755	10.2
181.12297	7.7
183.11655	4.5
185.13289	3.5
187.11105	5.1
189.11191	17.5
189.12743	4.5
191.10513	4.2
193.12222	10.4
197.13202	7.1
205.12286	12.0
211.13347	9.8
223.13281	53.3
224.25534	4.7
229.19600	5.5
247.20691	9.7
257.19061	14.2
267.09384	4.4
271.08609	4.2
275.20068	82.1
285.10165	9.9
286.10391	7.0
293.21133	38.5
349.23663	10.5
353.59320	3.6
367.25272	64.0
368.24139	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	367.2479
Annotation	Betaenone A
Peak:m/z	Relative Intensity
53.03942	1.3
55.01868	6.6
55.05509	13.5
56.96555	2.0
57.03444	5.1
57.07074	5.7
61.02924	1.2
65.03939	1.3
67.05172	1.6
67.05508	27.6
69.03427	3.1
69.07063	15.2
69.35982	6.9
69.36402	2.4
71.04971	2.4
76.27765	1.0
79.05061	1.6
79.05495	20.9
81.03391	1.0
81.07052	30.4
83.04993	6.4
83.08624	5.5
85.02856	1.1
85.06535	1.9
89.38956	0.8
91.05479	23.4
93.06467	2.0
93.07043	29.1
95.04967	10.0
95.08602	21.3
95.09085	0.5
97.06520	7.7
97.10159	3.8
98.21455	1.5
99.08076	1.5
99.11794	1.0
105.07029	27.0
105.32883	1.0
107.04954	9.3
107.08592	17.5
109.06533	9.0
109.10155	9.8
111.08080	2.2
115.05386	1.0
117.06988	7.5
119.08572	14.6
121.06486	10.9
121.10143	9.8
122.97729	0.9
123.08096	4.6
123.11676	2.6
129.06998	4.0
131.08566	17.5
133.06508	4.8
133.09239	1.7
133.10136	17.6
133.11102	1.8
135.08051	5.6
135.11667	7.7
136.52759	1.0
137.06038	1.3
137.09605	3.4
141.06970	1.7
143.08574	4.7
144.09337	1.0
145.06497	3.9
145.10127	14.5
147.08031	4.6
147.11676	14.7
149.09647	6.6
149.13295	3.7
151.11171	5.5
153.09113	1.5
155.08487	2.1
157.10115	4.2
159.08067	2.3
159.11699	9.2
161.09621	3.8
161.13275	3.5
163.11198	6.3
165.12755	1.1
167.08434	1.2
169.10127	3.1
171.08006	1.6
171.11720	3.1
173.09627	1.4
173.13208	4.9
175.11186	2.6
175.14841	1.2
177.12793	1.5
183.11736	3.0
185.13318	1.8
187.11240	2.5
189.12801	1.9
191.14302	2.3
195.11751	1.4
197.13274	2.7
201.12761	3.1
203.14355	1.3
205.19431	1.2
207.13792	2.6
209.13344	1.0
215.14336	1.9
215.17955	2.4
219.13817	2.8
219.17503	1.4
229.19539	2.5
237.12694	1.4
239.17975	3.0
247.20587	4.4
255.13863	3.1
257.18982	13.8
275.20065	100.0
276.20508	4.3
285.10172	1.2
286.14240	1.0
293.21130	10.9
349.16852	1.4
349.23804	47.2
350.23984	1.4
367.17935	2.5
367.24542	26.2
368.25000	1.4
385.18967	2.3
390.19531	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	367.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	4.3
55.01871	16.2
55.05515	31.8
56.96564	3.9
57.03440	16.2
57.07086	4.4
59.04980	3.7
65.03924	3.4
67.05509	72.9
69.03436	6.2
69.07073	27.9
70.15154	14.0
71.04984	4.1
71.08622	4.3
79.05493	50.4
81.03419	3.9
81.07063	100.0
82.30319	3.1
83.04967	12.6
83.08622	17.2
85.06547	6.4
91.05476	39.0
93.07041	35.6
95.04966	13.7
95.08608	38.7
97.06553	17.4
97.10183	6.3
99.04480	3.2
99.08103	5.7
105.07030	45.3
107.04930	15.0
107.08603	45.5
109.06507	13.6
109.10175	25.7
111.04421	7.2
111.08102	7.3
117.07038	14.1
119.08559	36.4
121.06504	8.9
121.10143	21.6
123.08073	6.8
123.11679	8.4
125.09627	10.5
129.07002	6.8
131.08556	15.2
133.10136	24.6
135.08052	8.4
135.11694	11.8
137.09579	9.7
143.08545	5.0
145.10147	19.0
147.11676	20.6
149.09674	20.8
149.13261	9.5
151.11224	4.4
155.08557	3.6
157.10143	6.1
159.11700	12.6
161.09535	4.8
161.13315	7.4
163.11176	13.0
165.12752	5.8
171.10176	4.0
173.11731	3.8
173.13269	7.1
177.12762	6.8
183.11754	3.7
187.14760	3.1
189.11171	5.7
195.81288	3.2
229.19568	3.2
239.17873	6.7
247.20744	4.4
257.19040	8.2
262.10779	3.2
275.20071	65.5
276.20389	4.2
285.16821	3.7
293.21072	19.8
319.60184	2.8
349.23874	26.3
350.00696	3.0
356.22650	3.0
367.24615	37.5
367.98819	3.7
368.24799	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	367.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	6.5
55.01868	13.7
55.05512	6.4
56.96567	100.0
57.03428	17.6
61.02942	26.1
66.22189	4.9
69.03430	35.2
70.06597	42.3
70.85609	11.0
71.01331	5.8
71.04972	14.0
72.04507	7.4
73.02916	34.4
73.56196	4.9
74.06043	7.6
74.97591	7.5
75.04480	8.8
81.03415	15.2
83.01357	5.8
83.04984	5.8
84.04480	7.8
84.08118	10.3
84.96057	8.9
85.02911	94.7
85.06532	6.4
86.03249	5.7
86.09705	16.9
87.04449	16.1
97.02903	49.7
98.97582	70.7
99.04449	13.2
99.97926	5.8
100.99146	16.9
101.02418	6.8
105.32578	5.0
109.02856	9.7
110.97566	14.1
112.99138	6.8
113.03474	5.3
115.00708	7.6
115.03934	10.0
116.98624	65.0
119.00150	21.4
119.01894	12.7
119.04935	5.1
122.07150	5.6
124.02855	5.2
127.03915	27.7
127.08693	17.7
128.02332	4.7
128.98611	32.4
131.00163	11.0
131.01852	9.0
133.01674	18.9
133.05054	7.1
134.99637	32.2
135.03209	4.8
140.02336	5.5
145.01732	14.6
145.04976	15.7
146.99640	33.4
147.03207	12.4
149.01256	13.8
149.02884	5.8
151.02762	8.4
154.03897	24.4
155.04662	13.8
155.08122	16.0
158.99643	21.2
159.03297	8.4
161.01230	27.7
161.02956	7.8
161.04469	24.4
163.02774	59.2
163.04378	28.4
165.00735	16.8
165.04315	8.2
168.03625	8.7
169.04506	5.6
170.05167	84.8
170.99667	6.0
173.02930	8.3
174.99219	6.1
175.02744	10.6
177.00774	34.4
177.04298	27.5
179.02277	9.1
181.03889	38.9
181.56012	8.6
186.99097	7.5
187.02753	9.2
187.04405	5.5
189.00711	18.5
190.98567	7.6
191.02226	15.0
191.03838	8.6
193.00226	11.5
195.05389	7.5
201.00760	6.6
203.02286	7.0
203.04065	5.9
205.00175	13.9
205.01941	6.8
205.03809	22.2
205.07445	12.1
207.01778	8.3
213.12309	8.6
215.02232	6.0
217.03773	12.8
217.07562	7.0
218.04425	16.4
219.01764	41.0
219.05284	15.9
223.04916	14.2
234.05786	9.0
237.02815	97.6
238.03221	9.7
241.07564	5.8
246.07756	7.5
248.05460	41.9
248.99289	6.0
249.06223	9.5
251.00587	6.1
251.04411	6.5
253.02541	9.6
255.03883	12.3
255.06300	19.2
263.00671	10.8
263.04285	9.0
264.04282	9.6
264.06735	92.8
264.56921	24.7
277.02258	6.9
277.05527	8.4
281.05472	7.6
291.22119	5.8
295.07025	11.0
301.55576	6.1
307.06998	86.5
307.10645	33.4
325.08151	70.9
325.11603	8.8
337.07739	8.6
367.09219	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	366.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	1.4
57.03419	1.1
60.04524	25.3
61.50468	0.8
67.05493	2.4
69.03418	1.6
69.07073	6.5
70.01099	4.6
70.02943	1.8
70.06570	2.5
71.04992	1.8
72.08150	1.2
79.05489	2.6
81.03398	1.1
81.07056	4.0
83.08620	1.9
84.08104	1.0
85.02890	3.1
85.06564	1.0
86.09704	74.9
87.05587	15.2
87.10025	1.5
87.88139	0.8
91.05464	2.6
93.07042	2.2
95.04970	1.6
95.08616	3.8
97.02872	2.2
105.07025	2.2
107.04971	1.1
107.08587	1.8
109.06512	0.9
109.10150	7.7
109.84719	0.7
110.91060	0.8
116.98656	1.1
119.08597	1.2
120.08105	32.9
121.08479	1.0
121.10118	1.6
123.11722	1.6
127.03915	2.1
128.10721	9.7
130.06490	0.9
131.08580	1.3
133.10129	2.2
136.07536	1.4
145.04951	1.5
149.05994	0.9
151.11194	3.0
157.07602	1.1
162.09174	1.5
166.08650	18.9
169.12227	6.6
173.12860	100.0
174.13217	3.2
175.14703	1.1
177.00720	1.3
201.12335	33.6
207.11301	7.4
212.74132	0.9
235.10788	2.4
279.17047	2.3
294.17053	0.8
342.98914	2.7
348.27463	1.2
360.99963	2.0
366.22675	6.8
366.28098	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30604	1.2
53.03708	1.2
53.03936	2.7
55.01861	3.6
55.05508	2.6
56.41882	1.1
56.96554	5.0
57.03438	6.9
60.04524	12.7
60.30951	1.1
61.02919	3.8
68.99785	1.5
69.03427	30.5
69.07064	1.7
69.66031	3.6
69.66455	5.1
71.04986	12.1
72.08134	1.2
73.02931	6.2
79.05489	4.4
81.03415	17.4
81.07050	2.9
83.04996	1.8
85.02902	100.0
86.03234	1.5
86.09706	2.9
87.00823	43.9
93.07057	1.6
95.04979	1.5
95.08598	2.5
97.02248	1.0
97.02886	26.8
98.20805	2.4
98.97588	8.3
99.04441	8.8
105.01863	66.6
105.07024	41.5
108.04459	1.5
109.02871	25.4
109.10194	1.2
110.97544	3.0
115.03924	1.2
116.98648	3.4
117.01808	1.9
118.23092	1.0
121.10146	2.0
127.03919	56.0
128.98625	2.7
129.01862	2.6
129.05475	2.9
129.80278	1.1
131.00211	1.4
133.10146	1.3
134.99608	1.6
141.01859	1.3
145.04944	26.5
146.99728	1.7
158.99670	2.3
159.02882	7.1
161.01237	2.9
162.04332	1.7
165.01852	5.0
169.12192	1.5
171.04900	7.8
171.55051	1.5
177.00670	2.9
179.03728	1.5
182.55624	2.1
183.02936	3.6
189.03990	2.1
197.04793	2.2
203.02313	2.8
213.03975	2.6
216.55630	1.2
219.01704	2.5
221.04924	1.5
231.05029	18.6
235.07268	19.0
235.09422	1.7
235.57527	2.5
237.02797	6.9
244.07738	1.4
249.06076	11.2
255.58748	2.5
256.08762	2.1
271.05844	1.8
283.06000	37.5
301.09637	1.2
305.05518	2.8
319.10690	5.0
323.08014	3.4
330.26517	1.5
341.08990	4.9
348.27332	2.8
366.28577	11.8
367.08084	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55915	0.9
53.03942	5.0
55.01871	7.0
55.05505	2.6
57.03442	6.1
61.02921	4.9
67.05505	1.4
68.99783	3.7
69.03431	32.0
70.85551	1.7
70.85903	1.7
71.04988	4.7
73.02915	6.7
74.09686	0.9
79.05515	1.0
81.03415	24.2
81.07059	2.2
83.04974	1.4
83.08601	1.8
85.02904	100.0
86.78666	1.0
87.00828	41.8
91.03987	1.2
93.07018	1.8
97.02892	31.2
97.03519	1.8
99.04457	11.9
101.02387	1.4
103.03973	1.1
105.01864	71.6
105.07053	1.4
107.08588	0.9
108.04499	2.7
109.02877	24.9
109.06602	1.0
109.10146	1.0
111.08075	2.2
112.05634	0.9
113.09624	0.8
115.03933	1.5
117.01855	2.4
123.02944	0.9
123.08117	1.8
126.05548	1.1
127.03916	67.9
129.01842	3.8
141.09137	1.7
142.77007	0.8
145.04959	35.9
147.02870	2.8
151.07529	1.8
159.02895	12.2
171.02858	0.9
173.09610	1.1
177.03983	1.0
189.03935	2.1
209.11668	4.0
213.04036	2.3
227.12743	1.0
231.04979	23.6
248.07753	2.4
249.06012	8.6
269.13947	1.5
295.11792	5.1
313.12772	2.3
331.14105	1.1
332.60400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2474
Annotation	Quinestrol
Peak:m/z	Relative Intensity
50.64401	1.3
55.05509	9.9
57.03432	1.8
57.07062	5.7
58.52341	1.6
59.04990	2.2
67.05506	18.6
69.03433	3.4
69.07069	11.5
69.90421	9.9
79.05494	14.3
81.07061	16.4
83.04963	2.3
83.08616	3.1
85.06543	5.2
91.05484	20.8
93.06557	2.3
93.07059	25.4
95.04971	29.3
95.08615	24.6
97.06511	3.9
97.10168	2.3
98.20753	3.0
105.07030	30.6
107.08589	20.2
109.06507	8.1
109.10165	9.1
112.01620	1.4
115.05434	2.0
116.16982	1.4
117.07018	8.2
119.08582	41.7
121.06532	4.8
121.10155	11.2
123.08056	4.8
125.09603	2.7
128.06218	6.3
129.07011	10.4
130.07802	3.0
131.08553	14.0
132.08931	1.6
133.10133	16.2
135.08070	10.0
135.11711	7.6
141.06935	4.2
142.07796	14.3
143.08562	32.5
144.09306	6.1
145.10115	24.8
147.08072	4.5
147.11676	7.3
149.09653	2.1
151.07590	1.8
153.07031	2.5
154.07751	2.7
155.08517	9.2
156.09348	10.4
157.10132	48.2
158.10767	3.7
159.08055	5.0
159.11688	22.6
161.09613	4.6
161.13232	6.4
165.06958	4.6
166.07733	1.8
167.08569	4.0
168.09329	5.2
169.10103	11.9
170.10934	9.9
171.11705	21.7
172.08846	2.1
172.12427	3.0
173.09607	8.3
173.13240	9.2
175.11230	4.8
179.08582	5.8
180.09215	2.8
181.10139	9.3
182.10924	6.8
183.11693	18.2
184.12564	3.7
185.13249	52.4
187.11169	8.3
187.14795	12.5
189.12732	2.3
191.08586	1.9
192.09380	4.5
193.10136	10.3
194.10878	5.6
195.11665	19.5
196.12437	7.1
197.13268	17.0
198.10501	2.2
198.13997	2.4
199.11285	1.9
199.14828	6.7
201.12737	2.7
203.14265	3.5
205.10075	2.8
205.15877	5.7
206.10968	4.8
207.11725	13.4
208.12444	9.6
209.09753	1.9
209.13274	16.6
210.14030	3.3
211.11017	1.9
211.14841	9.7
213.12764	7.2
217.15967	2.5
219.11749	4.4
220.12411	2.6
221.13306	14.0
222.13979	3.8
223.11211	2.3
223.14807	12.6
224.15392	2.0
225.12836	3.3
225.16344	4.5
229.15906	3.1
232.12465	2.1
233.13226	6.0
234.13980	3.5
235.14830	8.8
235.50856	1.7
236.15535	3.0
237.16388	9.5
239.14279	2.4
239.17943	3.3
241.15886	4.8
243.11652	2.6
247.14828	5.6
248.15636	2.1
249.16313	9.9
250.17314	2.4
251.14276	2.1
251.17889	9.9
253.15945	2.1
255.17564	2.7
258.14063	1.8
259.14905	2.9
260.15482	1.7
261.16373	2.8
263.18021	9.0
264.18771	2.5
265.15915	4.9
265.19464	5.1
267.17471	5.5
269.19058	4.9
273.16238	2.5
275.14401	2.0
275.17847	3.4
277.15872	4.2
277.19315	1.6
279.17355	2.7
281.19150	3.8
282.19705	2.5
288.19254	1.7
289.19562	4.6
291.17438	5.4
291.20139	2.0
299.17920	2.4
303.20908	1.8
309.18503	4.4
317.18976	2.3
319.24033	3.0
329.22684	5.6
347.23672	33.6
348.24014	2.7
365.24756	100.0
366.25104	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	365.2475
Annotation	Quinestrol
Peak:m/z	Relative Intensity
55.05504	10.7
57.03421	3.8
57.07067	3.4
59.04997	2.6
61.02941	2.3
61.99348	2.0
67.05508	22.1
69.03429	8.7
69.07061	13.1
70.99267	2.8
70.99601	4.3
71.04976	3.6
73.02916	1.9
79.05507	20.4
81.07060	25.2
83.04985	6.4
83.08636	2.5
84.04520	2.1
85.02908	2.3
85.06548	4.7
91.05473	20.2
92.83353	2.0
93.07040	30.3
95.04963	24.3
95.08613	24.5
97.02884	4.7
97.06534	5.1
97.10168	2.4
103.05448	2.9
105.07035	32.7
107.08577	24.3
108.55517	1.8
109.06511	9.7
109.10162	21.8
115.05496	2.7
117.07018	9.8
119.08577	34.7
121.06489	3.5
121.10152	26.3
123.08055	5.2
123.11722	3.1
125.09602	3.4
128.06229	5.0
129.07043	9.3
130.07756	3.2
131.08575	27.7
133.10115	16.0
135.08095	8.1
135.11694	7.2
137.09598	2.9
137.90334	2.1
141.06982	4.5
142.07779	7.4
143.08560	18.1
144.09358	2.6
145.10123	27.6
147.08089	6.8
147.11691	12.5
149.09625	9.1
155.08606	8.0
156.09372	6.0
157.10123	22.8
158.10977	8.2
159.08087	4.1
159.11720	16.8
161.09666	9.4
161.13254	4.7
163.11203	2.8
164.98550	2.7
166.07730	3.7
167.08560	6.2
167.10831	3.0
168.09337	5.3
169.10127	15.0
170.10851	3.8
171.11664	16.2
172.12569	2.2
173.09659	4.4
173.13254	37.4
175.11212	8.5
175.14801	3.9
177.12779	4.0
179.08546	4.3
180.09334	4.6
181.10109	9.8
182.10945	3.8
183.11697	17.6
184.12315	3.4
185.13297	9.1
187.11211	4.9
187.14894	3.4
189.12900	3.5
191.14305	29.0
192.09421	2.4
193.10167	7.1
194.10963	3.8
195.11720	9.1
196.12386	3.7
197.13206	11.2
198.14079	3.1
199.11192	3.9
199.14886	5.5
201.12711	10.3
204.08789	2.8
205.10190	4.1
206.10985	2.8
207.11603	13.4
208.12434	5.8
209.13217	11.4
211.14792	11.1
213.12740	4.6
215.14305	3.2
216.15193	6.3
219.11711	5.6
221.13197	10.2
223.14841	10.5
225.12808	5.2
225.16376	4.3
227.14395	3.7
229.15831	4.2
232.12512	2.3
233.13274	3.5
235.14882	8.3
237.16402	6.3
239.14435	3.2
239.17990	2.6
241.15883	4.0
247.14876	3.6
249.16382	9.8
251.17967	5.7
253.15901	4.9
255.17482	4.9
261.16516	3.1
263.18042	8.1
264.18594	2.7
265.16150	5.5
265.19315	2.9
267.17459	6.6
269.18930	4.4
273.16125	2.8
273.18707	3.0
279.17459	2.5
281.18982	5.7
282.19830	3.6
289.19513	2.5
291.19897	16.6
305.19058	3.2
309.18506	4.2
329.22809	5.5
337.25162	3.0
347.23666	29.3
365.24777	100.0
366.25241	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	365.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30042	1.5
55.01870	1.6
55.05506	7.5
57.03418	1.5
57.07068	3.0
65.03932	2.2
67.05505	18.0
69.03422	5.0
69.07082	7.3
69.91726	5.3
78.12756	1.1
79.05499	10.3
79.46411	1.2
79.80691	1.2
81.07056	14.9
82.85420	1.3
83.04946	2.3
83.08619	2.9
83.69123	1.2
85.06526	4.4
91.04969	1.5
91.05486	20.1
92.54604	1.3
93.07047	22.2
95.04972	30.7
95.08604	19.3
97.06528	5.2
98.20769	1.7
105.07037	30.2
107.04877	1.5
107.08599	18.2
108.09966	1.2
109.06529	8.0
109.10143	9.0
115.05450	2.5
117.07012	7.6
119.08582	38.7
121.06503	4.0
121.10140	10.2
123.08057	5.0
123.11756	2.0
125.09673	1.4
128.06235	5.1
129.07016	8.2
130.07785	2.3
131.08577	17.9
133.10143	12.9
134.19695	1.2
135.08058	8.1
135.11676	6.5
137.09618	1.9
139.11125	1.4
141.06982	4.2
142.07803	11.3
143.08569	27.8
144.09334	4.0
145.06488	1.7
145.10121	26.5
147.08093	3.9
147.11708	5.5
148.68417	1.3
149.09673	2.8
151.07568	2.1
153.07022	1.9
154.07837	1.2
155.08559	10.4
156.09349	12.6
157.10144	40.9
158.10884	2.8
159.08063	4.7
159.11696	18.5
161.09625	5.3
161.13304	5.8
163.11151	1.6
165.07039	2.2
166.07735	1.9
167.08568	3.5
168.09384	3.0
169.10129	12.3
170.10892	10.4
171.11682	14.9
172.08784	2.3
172.12463	1.7
173.09731	3.0
173.13260	7.7
175.11241	3.2
179.08560	5.7
180.09352	2.2
181.10107	10.0
182.10837	4.1
183.11697	18.2
184.12437	3.2
185.13269	46.7
186.13634	1.9
187.11209	11.9
187.14821	10.0
189.12720	2.8
191.08589	1.7
191.14400	1.9
192.09344	2.5
193.10120	7.6
194.10915	6.7
195.11691	16.0
196.12448	5.1
197.13269	16.0
198.13985	2.4
199.11189	3.0
199.14821	4.0
201.12775	2.3
203.14272	3.3
205.15874	4.4
206.10918	4.7
207.11691	15.7
208.12541	6.4
209.09665	1.3
209.13268	18.6
210.13989	3.2
211.11264	4.7
211.14799	8.9
213.12700	6.3
213.16356	2.4
217.10109	2.2
217.15849	1.3
218.10918	2.2
219.11671	4.4
220.12456	3.5
221.13313	11.7
222.14011	5.6
223.14815	12.0
224.15498	2.4
225.12750	4.4
225.16356	4.3
227.14284	3.0
229.15887	1.8
231.11658	1.9
232.12361	2.2
233.13202	6.7
234.14046	4.4
235.11096	2.3
235.14813	7.7
236.15610	4.0
237.16385	9.1
238.17314	2.1
239.14366	3.9
239.18036	2.9
241.15752	3.2
243.11728	1.8
247.14842	5.5
248.15558	3.2
249.12657	2.0
249.16357	7.4
250.16931	1.7
251.14299	2.3
251.18022	7.4
252.18292	1.4
253.15836	2.9
255.17632	3.4
258.14047	2.2
259.14828	1.8
261.16452	2.0
263.14435	1.5
263.17972	6.9
264.18771	3.8
265.15976	5.1
265.19568	4.8
267.17459	3.7
269.19046	4.2
272.50693	1.5
273.16278	2.6
274.17331	1.9
275.17950	2.4
277.15851	3.5
277.19443	3.0
281.18973	4.0
282.19797	2.1
284.15518	1.4
289.19507	5.4
291.17383	4.6
299.17883	1.5
307.20847	1.8
309.18433	2.8
317.19104	1.9
319.24442	1.8
329.22546	3.6
332.21414	1.5
347.23703	30.7
348.24030	1.6
365.10492	2.3
365.24765	100.0
366.25070	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	365.2305
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03930	0.7
55.01860	1.7
55.05513	3.5
56.42640	0.5
56.96556	2.7
57.03439	3.4
60.19369	0.6
61.02908	1.6
61.03631	0.6
67.05501	8.2
67.93484	0.6
69.03420	1.4
69.07069	3.3
69.48531	1.2
69.48936	4.7
73.02881	0.7
79.05485	7.3
81.03401	1.3
81.07054	11.4
81.95965	0.8
82.00333	0.6
83.04979	2.9
83.08605	1.5
85.02888	1.9
85.06527	0.9
91.05465	5.9
93.07040	6.0
95.04964	4.8
95.08616	2.9
97.02887	1.1
97.06539	1.1
97.10165	1.3
98.97626	0.8
99.04467	1.1
105.07019	4.9
107.04971	1.7
107.08600	5.7
109.06514	4.5
109.10149	2.5
111.04435	1.9
113.06004	2.7
117.07009	1.9
119.08596	2.8
121.06527	1.9
121.10142	2.3
123.08085	1.3
125.09643	1.0
127.03967	0.8
128.06238	0.9
131.08554	2.4
133.06490	1.0
133.10120	5.3
134.55994	0.6
135.08075	1.9
135.11714	2.2
145.10123	2.4
147.04401	0.9
147.08043	1.4
147.11671	1.1
147.63217	0.6
149.09570	1.5
151.11169	2.1
159.08109	0.6
159.11713	0.8
161.09575	1.6
163.11180	1.4
165.09190	0.6
171.11774	0.7
177.09023	1.1
201.12871	0.6
205.08348	11.2
207.09853	0.7
217.15952	0.9
227.12767	0.8
231.10774	1.1
245.19119	1.3
253.14374	2.2
255.09042	1.4
263.12662	0.9
267.08911	0.9
267.14340	1.1
273.10162	1.4
273.18488	4.2
283.15366	0.9
284.12708	1.0
285.10156	2.2
285.15424	1.0
286.10568	0.7
291.19547	6.9
301.09503	1.1
321.17566	0.9
347.22119	0.8
365.19351	8.2
365.23047	100.0
366.23294	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16088	5.2
53.03942	14.6
55.01859	22.7
55.05512	33.1
57.03427	27.0
57.07066	11.7
58.66464	6.1
59.05003	66.3
67.05171	8.0
67.05511	100.0
69.03414	12.3
69.07070	34.6
71.04994	7.4
71.59681	7.4
73.79237	5.3
76.43082	5.4
79.05492	70.7
81.03422	20.2
81.07062	95.9
83.04968	26.4
83.08603	11.8
91.05483	85.8
93.07043	77.3
95.04954	22.3
95.08610	42.0
97.02907	5.5
97.06541	9.3
97.10165	9.9
100.34348	5.7
103.07882	5.9
105.06514	5.4
105.07043	74.6
107.04926	20.9
107.08598	62.2
109.06502	26.1
109.10169	62.0
111.08041	10.6
115.05512	5.9
115.11227	6.2
117.07013	20.8
119.08585	35.4
121.06512	12.4
121.10144	21.2
123.08060	14.3
123.11731	12.2
129.06995	14.7
131.08557	25.7
133.06456	12.9
133.10144	100.0
135.08099	29.9
135.11687	17.7
143.08569	18.5
145.10129	26.7
147.08041	12.0
147.11676	11.7
149.09624	25.9
151.11177	54.9
157.10135	18.6
159.11632	18.5
161.09567	21.0
163.11156	9.3
166.07790	6.4
169.10114	12.2
169.12222	11.2
171.11687	16.2
173.09566	6.4
173.13289	9.3
173.15404	6.4
175.11075	8.9
175.14635	5.8
177.09126	9.0
177.12866	8.1
179.08621	7.2
183.11681	12.2
189.12770	8.6
207.11682	9.6
215.12779	5.9
223.13171	7.4
245.18872	9.7
253.14330	63.1
255.17268	8.8
273.18491	46.1
291.19666	47.5
347.22717	12.5
365.23276	87.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2323
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
55.01864	9.5
55.05510	19.5
56.96569	4.8
57.03430	11.7
57.07069	7.0
59.04988	3.4
61.02915	9.4
61.42502	2.7
65.03961	3.3
67.05505	32.7
69.03423	26.5
69.07065	25.5
71.01354	2.7
71.05001	24.7
73.02932	14.1
74.83075	2.4
79.05497	22.1
81.03413	14.2
81.07053	45.3
83.04973	12.0
83.08608	8.7
85.02914	28.0
85.06544	5.1
87.04434	3.3
91.05485	22.9
93.07040	43.5
95.04992	12.4
95.08603	73.5
97.02873	18.6
97.06537	12.2
97.10160	6.5
99.04468	7.4
99.08030	2.6
103.03960	8.6
105.07032	45.2
107.04976	5.4
107.08593	35.1
109.06538	11.5
109.10149	26.8
111.04416	6.9
111.08081	6.8
115.03899	5.0
117.07000	13.6
119.04945	5.0
119.08582	51.5
121.06502	7.4
121.10136	29.9
123.08080	10.6
123.11695	17.3
125.06020	3.3
125.09650	7.7
127.03909	6.4
127.11186	8.6
128.06216	3.9
129.05475	7.4
129.06999	11.0
131.08556	26.3
133.06490	6.5
133.10138	35.9
135.08051	8.9
135.11694	15.4
137.09648	12.6
137.13274	3.7
139.11163	3.6
141.06998	5.3
142.07764	6.6
143.08553	18.6
144.09317	4.2
145.04918	2.8
145.06454	3.2
145.10121	35.0
147.08052	10.8
147.11679	25.2
149.09628	6.4
149.13290	5.8
151.07440	3.0
151.11137	5.9
154.07785	3.2
155.08566	4.9
156.09355	7.4
156.59584	2.6
157.10124	28.6
159.06656	2.4
159.08044	10.9
159.11707	36.4
161.09659	9.8
161.13248	12.9
163.07582	3.9
163.11221	6.5
165.09088	3.0
167.08546	3.2
169.10129	10.1
170.10921	3.4
171.08072	5.6
171.11650	27.6
173.09639	7.4
173.13271	18.6
175.11226	4.3
175.14809	8.3
177.09363	2.8
177.12773	6.1
177.16521	3.9
181.10153	4.8
183.11697	12.9
185.09673	4.4
185.13310	9.7
187.11174	5.3
187.14816	13.0
189.09074	2.6
189.12752	8.6
189.16331	18.4
191.14252	3.2
195.11665	6.4
197.13268	11.6
199.11221	4.9
199.14848	8.4
201.12663	5.0
201.16382	17.4
203.14357	3.2
203.17961	13.4
207.10095	4.3
207.11853	6.1
213.12808	6.6
213.16460	8.1
215.14430	5.5
215.17949	16.6
219.17500	4.0
225.12863	9.6
227.17975	8.5
229.15987	4.7
231.17513	9.1
233.18964	2.9
239.17982	3.8
241.15921	6.4
243.13911	7.2
243.17474	9.1
245.18895	15.1
257.19043	8.8
261.14874	10.6
261.18610	3.4
269.19189	5.6
273.18506	5.5
275.16364	3.1
277.17871	3.1
279.15976	4.2
285.10126	3.4
287.20145	6.4
293.18875	3.5
299.20181	6.0
305.21393	3.2
311.20004	13.5
317.21060	3.4
329.21088	31.3
336.30197	3.0
347.22125	32.3
365.10315	6.5
365.23288	100.0
365.27975	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	365.2324
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03944	4.1
55.01860	7.4
55.05265	2.3
55.05513	31.1
56.96563	6.6
57.03435	15.2
60.28625	1.6
67.05508	40.4
69.03433	13.5
69.06721	2.6
69.07072	37.5
71.04987	3.5
78.90331	1.9
79.05493	33.2
81.03417	9.8
81.07057	35.7
83.04964	8.7
83.08619	12.7
85.06544	2.1
88.80273	1.7
91.05485	25.0
91.53664	1.8
93.07046	26.7
95.04973	13.1
95.08614	22.5
97.02890	14.7
97.06522	6.5
97.10173	16.3
98.21496	4.9
101.75066	1.6
105.07025	24.3
106.08814	1.6
107.04955	9.4
107.08612	22.2
109.06517	4.8
109.10148	15.4
111.04433	2.2
111.08067	4.6
117.07018	9.1
119.08575	16.3
121.06521	4.5
121.10114	11.5
123.08101	5.2
125.09644	12.3
127.88111	2.0
129.05542	1.7
129.07031	3.1
131.08563	12.7
133.06509	3.8
133.10158	17.2
135.08046	8.5
135.11690	4.7
137.09630	4.5
139.07588	2.3
143.08582	6.3
145.10120	8.3
146.99678	2.3
147.08066	7.3
147.11739	4.1
149.09622	7.0
149.13222	2.7
151.11198	5.2
157.10146	6.1
159.07979	2.2
159.11699	4.2
161.09637	7.5
163.11227	2.9
165.09129	3.8
169.10223	2.1
169.12260	2.3
171.10194	2.3
171.11650	2.7
173.09506	2.3
175.11172	4.3
177.09198	2.7
185.13185	2.7
189.11237	7.5
189.12726	2.7
195.11707	2.1
195.13860	2.9
204.85165	2.1
205.12216	2.7
209.13197	2.0
215.06137	2.1
223.13274	30.8
227.12788	5.2
229.22610	2.2
245.19028	5.1
253.14351	3.7
263.20087	2.6
267.09088	3.1
268.09442	2.8
273.18475	25.7
283.94336	2.0
285.10043	5.9
285.42819	2.0
291.19550	100.0
292.19757	2.9
309.20523	2.1
339.64694	2.6
347.22205	4.2
365.23239	92.5
366.23550	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	365.2329
Annotation	Galbonolide C
Peak:m/z	Relative Intensity
53.03938	5.3
55.01870	11.4
55.05518	30.5
55.28795	4.8
56.96560	22.3
57.03427	15.0
57.39567	5.1
57.61001	4.4
59.05009	6.6
61.02916	14.5
61.76596	5.1
67.05512	44.0
69.03423	19.1
69.07074	37.7
71.04990	8.3
71.60207	4.2
71.60547	6.1
73.02915	9.1
73.15269	5.0
79.05499	29.7
81.03424	18.8
81.07059	34.8
83.04990	13.3
83.08618	12.3
85.02903	13.7
91.05483	26.9
93.07066	26.3
95.04971	17.9
95.08611	27.9
97.02882	17.0
97.06510	8.9
97.10169	15.1
105.07044	17.8
107.04968	8.2
107.08597	29.6
108.41699	4.7
109.06525	7.4
109.10194	23.6
111.04473	6.1
111.08101	6.4
117.07035	8.9
119.08564	20.1
121.06517	7.4
121.10139	12.3
125.09679	10.3
131.08559	13.7
133.10162	11.2
135.08006	5.6
135.11723	8.7
143.08495	7.3
145.06450	6.7
145.10123	14.2
147.08038	5.5
147.11710	8.5
149.01248	7.1
151.11162	6.7
157.10205	7.2
159.11684	9.2
163.11246	5.3
189.11179	7.1
193.12146	24.4
223.13234	18.9
227.12741	6.1
243.09167	7.8
255.09076	10.4
267.09155	11.7
269.10739	7.4
273.10098	12.5
273.18573	20.5
285.10031	22.9
287.11703	11.6
291.19623	76.6
301.09595	7.2
340.15356	9.9
347.22507	6.4
365.10864	6.3
365.16202	11.4
365.23138	100.0
365.65265	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	365.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57765	2.6
53.03939	6.3
55.01863	9.3
55.05512	35.5
56.96562	6.2
57.03431	16.9
57.07043	3.3
61.02909	2.5
65.03889	2.4
67.05504	44.8
68.80169	2.3
69.03436	16.2
69.07069	48.6
70.90514	2.4
71.04964	2.8
71.46311	2.8
71.60175	5.1
72.90942	2.9
77.74068	2.4
79.05497	38.5
81.03405	8.9
81.07059	42.2
83.05026	6.0
83.08611	12.3
85.06547	5.0
86.05701	2.6
91.05489	28.6
93.07046	35.6
94.69650	2.4
95.04984	18.5
95.08613	23.0
97.02896	16.3
97.06518	6.2
97.10160	16.6
98.05685	2.9
105.07042	23.8
107.04946	10.5
107.08596	21.9
108.19791	2.9
109.06516	7.3
109.10149	23.4
111.08101	3.8
117.06987	8.7
119.08583	23.5
121.10126	11.1
123.08088	7.8
125.09611	14.0
127.03999	2.5
129.07028	8.1
131.08575	11.7
133.06465	5.1
133.10120	19.1
135.08041	9.3
135.11713	7.9
137.09595	5.3
142.65367	3.4
143.08548	5.9
145.10135	13.3
147.08086	8.1
147.11708	3.7
149.09639	7.5
151.11171	8.4
157.10089	3.7
159.11673	7.3
161.09616	9.8
165.09163	3.3
171.11711	5.7
175.11137	3.7
179.10620	3.2
185.13297	3.9
189.11198	9.0
195.11768	3.2
195.13647	3.4
197.13292	3.1
209.13196	3.9
223.13258	33.9
227.12773	5.1
245.18930	6.6
263.20056	3.8
273.18515	25.6
282.97333	2.7
285.10092	4.4
291.19516	100.0
360.46121	3.1
363.68918	3.1
365.10468	6.0
365.23233	85.4
388.78708	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	365.2305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01860	1.7
55.05513	3.5
56.42640	0.5
56.96556	2.7
57.03439	3.4
60.19369	0.6
61.02908	1.6
61.03631	0.6
67.05501	8.2
67.93484	0.6
69.03420	1.4
69.07069	3.3
69.48531	1.2
69.48936	4.7
73.02881	0.7
79.05485	7.3
81.03401	1.3
81.07054	11.4
81.95965	0.8
82.00333	0.6
83.04979	2.9
83.08605	1.5
85.02888	1.9
85.06527	0.9
91.05465	5.9
93.07040	6.0
95.04964	4.8
95.08616	2.9
97.02887	1.1
97.06539	1.1
97.10165	1.3
98.97626	0.8
99.04467	1.1
105.07019	4.9
107.04971	1.7
107.08600	5.7
109.06514	4.5
109.10149	2.5
111.04435	1.9
113.06004	2.7
117.07009	1.9
119.08596	2.8
121.06527	1.9
121.10142	2.3
123.08085	1.3
125.09643	1.0
127.03967	0.8
128.06238	0.9
131.08554	2.4
133.06490	1.0
133.10120	5.3
134.55994	0.6
135.08075	1.9
135.11714	2.2
145.10123	2.4
147.04401	0.9
147.08043	1.4
147.11671	1.1
147.63217	0.6
149.09570	1.5
151.11169	2.1
159.08109	0.6
159.11713	0.8
161.09575	1.6
163.11180	1.4
165.09190	0.6
171.11774	0.7
177.09023	1.1
201.12871	0.6
205.08348	11.2
207.09853	0.7
217.15952	0.9
227.12767	0.8
231.10774	1.1
245.19119	1.3
253.14374	2.2
255.09042	1.4
263.12662	0.9
267.08911	0.9
267.14340	1.1
273.10162	1.4
273.18488	4.2
283.15366	0.9
284.12708	1.0
285.10156	2.2
285.15424	1.0
286.10568	0.7
291.19547	6.9
301.09503	1.1
321.17566	0.9
347.22119	0.8
365.19351	8.2
365.23047	100.0
366.23294	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	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00265	0.6
54.23716	0.6
55.01872	1.7
55.05513	1.6
57.03431	0.7
60.04519	2.9
63.36339	0.7
67.05500	3.0
69.03427	2.4
69.07066	1.4
70.06582	2.0
70.91357	2.1
71.04978	1.8
72.08157	3.3
73.02946	0.7
73.08473	0.6
79.05482	2.4
81.03413	0.9
81.07063	4.2
84.08106	1.0
85.02906	2.3
85.06537	1.5
86.09731	1.7
87.00832	0.7
91.05480	1.3
93.07027	2.6
94.06565	0.9
95.04971	1.9
95.08617	3.4
96.04488	0.8
97.02895	2.5
97.06523	1.6
98.06084	1.0
99.04472	0.8
105.07049	1.8
107.08586	2.2
109.06493	0.8
109.10163	2.7
111.08052	1.0
116.98641	0.8
119.08537	1.5
120.08120	1.2
121.10167	1.6
122.06047	4.2
123.04425	1.0
123.08062	1.6
123.11719	1.1
124.03922	1.4
125.06068	0.8
127.03910	2.0
130.06548	0.7
131.08528	1.0
133.10156	1.7
135.08025	0.8
135.11681	0.9
136.07565	1.1
137.06004	1.6
137.09569	0.7
138.05493	2.1
140.07056	2.3
143.08516	0.8
144.08098	0.8
145.04962	1.3
145.10144	1.0
146.09671	0.7
146.99635	0.9
147.08072	1.3
147.11671	1.0
148.03897	0.8
148.07558	4.0
149.02330	1.0
149.13202	0.8
151.07570	0.7
151.11195	0.8
158.06021	1.0
158.09741	0.9
160.07590	1.2
164.07088	1.7
166.05017	6.2
168.06610	1.5
171.09201	1.9
171.14900	0.7
172.07581	2.2
172.10008	0.7
174.09143	2.2
175.08704	5.2
176.07071	7.6
176.09389	0.8
178.08617	0.7
181.36412	0.6
184.06061	2.5
184.07567	0.8
185.07094	1.2
185.15425	1.3
186.05554	0.8
189.06685	1.0
189.10287	2.9
190.08636	1.8
194.08163	0.7
196.07634	0.8
198.09221	1.4
199.08705	5.0
200.07118	4.3
202.08672	2.0
203.08182	14.6
204.06615	0.8
207.11258	0.7
213.10291	5.2
214.08662	2.2
215.08026	1.1
215.11850	0.9
216.10231	1.2
217.09792	14.2
218.08208	0.9
218.10210	1.2
223.08766	0.9
224.07072	1.2
227.08180	15.0
228.06552	2.9
228.08745	1.3
229.09720	2.1
231.04987	0.7
231.07605	1.3
231.11337	1.0
235.10759	3.6
235.12819	0.8
239.54903	0.7
241.09717	8.7
242.08144	5.2
243.11295	1.1
244.09735	1.0
245.09236	39.2
246.07390	0.9
246.09695	1.2
246.29846	0.7
247.10727	2.1
250.07175	1.1
255.07777	1.1
259.10751	10.3
260.09109	1.0
263.10263	22.7
269.09164	4.3
270.07397	1.0
271.11050	0.8
273.08737	3.3
275.20087	1.2
277.11871	0.9
287.10257	20.0
288.10782	0.9
289.11789	1.6
290.59015	0.8
291.09735	6.5
305.11316	71.0
306.11768	3.2
311.21887	0.7
315.09763	2.6
323.12357	18.0
324.12463	1.1
329.11438	1.1
333.10818	15.8
347.12350	2.3
347.26047	1.0
365.13446	100.0
366.13605	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00265	0.6
54.23716	0.6
55.01872	1.7
55.05513	1.6
57.03431	0.7
60.04519	2.9
63.36339	0.7
67.05500	3.0
69.03427	2.4
69.07066	1.4
70.06582	2.0
70.91357	2.1
71.04978	1.8
72.08157	3.3
73.02946	0.7
73.08473	0.6
79.05482	2.4
81.03413	0.9
81.07063	4.2
84.08106	1.0
85.02906	2.3
85.06537	1.5
86.09731	1.7
87.00832	0.7
91.05480	1.3
93.07027	2.6
94.06565	0.9
95.04971	1.9
95.08617	3.4
96.04488	0.8
97.02895	2.5
97.06523	1.6
98.06084	1.0
99.04472	0.8
105.07049	1.8
107.08586	2.2
109.06493	0.8
109.10163	2.7
111.08052	1.0
116.98641	0.8
119.08537	1.5
120.08120	1.2
121.10167	1.6
122.06047	4.2
123.04425	1.0
123.08062	1.6
123.11719	1.1
124.03922	1.4
125.06068	0.8
127.03910	2.0
130.06548	0.7
131.08528	1.0
133.10156	1.7
135.08025	0.8
135.11681	0.9
136.07565	1.1
137.06004	1.6
137.09569	0.7
138.05493	2.1
140.07056	2.3
143.08516	0.8
144.08098	0.8
145.04962	1.3
145.10144	1.0
146.09671	0.7
146.99635	0.9
147.08072	1.3
147.11671	1.0
148.03897	0.8
148.07558	4.0
149.02330	1.0
149.13202	0.8
151.07570	0.7
151.11195	0.8
158.06021	1.0
158.09741	0.9
160.07590	1.2
164.07088	1.7
166.05017	6.2
168.06610	1.5
171.09201	1.9
171.14900	0.7
172.07581	2.2
172.10008	0.7
174.09143	2.2
175.08704	5.2
176.07071	7.6
176.09389	0.8
178.08617	0.7
181.36412	0.6
184.06061	2.5
184.07567	0.8
185.07094	1.2
185.15425	1.3
186.05554	0.8
189.06685	1.0
189.10287	2.9
190.08636	1.8
194.08163	0.7
196.07634	0.8
198.09221	1.4
199.08705	5.0
200.07118	4.3
202.08672	2.0
203.08182	14.6
204.06615	0.8
207.11258	0.7
213.10291	5.2
214.08662	2.2
215.08026	1.1
215.11850	0.9
216.10231	1.2
217.09792	14.2
218.08208	0.9
218.10210	1.2
223.08766	0.9
224.07072	1.2
227.08180	15.0
228.06552	2.9
228.08745	1.3
229.09720	2.1
231.04987	0.7
231.07605	1.3
231.11337	1.0
235.10759	3.6
235.12819	0.8
239.54903	0.7
241.09717	8.7
242.08144	5.2
243.11295	1.1
244.09735	1.0
245.09236	39.2
246.07390	0.9
246.09695	1.2
246.29846	0.7
247.10727	2.1
250.07175	1.1
255.07777	1.1
259.10751	10.3
260.09109	1.0
263.10263	22.7
269.09164	4.3
270.07397	1.0
271.11050	0.8
273.08737	3.3
275.20087	1.2
277.11871	0.9
287.10257	20.0
288.10782	0.9
289.11789	1.6
290.59015	0.8
291.09735	6.5
305.11316	71.0
306.11768	3.2
311.21887	0.7
315.09763	2.6
323.12357	18.0
324.12463	1.1
329.11438	1.1
333.10818	15.8
347.12350	2.3
347.26047	1.0
365.13446	100.0
366.13605	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	3.3
56.96563	26.7
57.03440	7.9
59.04978	1.3
60.95827	1.1
61.02935	9.8
68.64661	0.8
68.83743	0.8
69.03425	7.9
70.06578	1.8
70.89645	2.3
70.89986	1.3
70.98090	3.9
71.01326	1.4
71.04972	1.7
71.95229	1.3
72.04461	1.2
73.02921	5.6
74.97600	1.9
75.04448	1.7
78.82077	0.9
81.03390	2.6
84.04479	1.8
84.08105	3.2
84.95993	3.4
85.02907	14.3
85.06531	1.6
86.06030	1.1
86.09679	2.3
87.04450	2.8
88.99147	4.8
97.02892	9.8
98.03232	1.3
98.97578	33.9
99.04420	2.0
99.45822	1.0
101.00843	2.0
103.02405	1.1
103.03887	1.1
107.00148	1.3
109.02838	2.0
110.97523	4.3
112.07529	1.1
112.99084	2.7
113.00843	1.4
113.03490	24.6
114.03798	2.8
115.02373	2.7
115.03873	2.9
116.98621	22.7
117.03946	1.0
119.00179	1.2
119.01903	9.7
119.06985	1.0
121.01643	1.3
124.95440	1.2
127.00595	0.9
127.03854	3.1
128.98611	11.9
129.03999	1.0
131.00227	5.9
131.01895	10.4
131.05545	6.4
133.01663	2.1
133.03468	8.1
133.04971	4.8
134.99661	12.0
135.03110	1.5
137.02882	3.2
140.98528	1.5
142.96439	3.1
143.00154	2.3
143.01828	3.1
144.97968	1.6
145.01660	2.4
145.03401	5.2
145.04861	1.8
146.99649	16.7
147.03151	1.3
147.04953	3.2
148.01965	1.2
148.03831	1.7
148.53975	3.6
149.01237	7.2
149.02869	3.5
149.06599	14.8
150.03546	1.5
151.02731	2.3
151.04443	2.4
152.03181	1.1
153.00648	2.0
155.01947	5.2
155.05501	1.8
157.01483	1.4
157.03391	2.6
157.04385	3.0
158.04726	1.4
158.99677	8.4
159.05113	4.7
159.06155	1.2
160.97484	3.7
161.01297	7.1
161.02927	7.2
161.04269	1.5
161.06573	7.0
162.99071	2.7
163.02705	3.1
163.04518	6.3
165.00735	19.7
167.02199	2.2
168.03519	1.1
169.04488	1.1
170.01160	1.2
170.95993	1.0
170.99562	4.1
171.01083	0.9
171.04935	4.0
173.01479	1.4
173.02995	12.3
173.05247	1.2
173.06590	14.3
174.99080	2.5
175.02704	4.1
175.04417	3.6
177.00742	14.5
177.04147	4.1
177.05975	2.8
179.02173	2.3
179.07545	3.7
181.03516	1.1
183.01674	3.0
183.04889	1.2
184.97496	2.4
185.01137	1.5
185.02719	2.0
185.06593	10.2
187.00409	1.9
187.02855	1.1
187.04422	4.1
188.97072	6.8
189.00682	10.5
189.04303	1.6
189.05983	4.4
190.98540	3.4
191.00259	1.2
191.02094	3.7
191.03929	2.5
191.07564	3.3
193.00168	6.1
193.03740	1.4
195.01663	2.8
195.04829	2.3
195.54724	2.7
196.04839	1.1
197.06438	2.9
199.04372	1.0
199.07990	2.1
200.02371	1.8
201.00568	3.1
201.02303	1.2
201.05965	2.9
201.07826	1.2
202.06354	1.2
202.14169	1.5
202.98668	6.3
203.02161	6.7
203.03918	3.5
203.05832	1.6
203.07645	21.0
204.53494	1.9
205.00040	2.4
205.03668	2.9
205.53717	1.6
205.55553	1.1
206.98116	5.2
207.01762	14.6
208.99561	1.2
209.06503	2.0
211.00945	1.5
215.04051	1.2
215.07631	21.6
217.00000	2.3
217.01923	1.3
217.03729	1.5
217.09105	4.1
219.01758	10.3
219.06955	1.8
220.02342	1.2
220.99525	4.1
221.03154	4.0
221.05075	17.4
223.01096	3.2
223.04703	3.1
225.02916	1.6
227.02832	1.4
227.07486	3.1
229.09117	1.5
230.03221	1.6
230.98083	7.0
231.01530	1.6
232.04152	1.1
232.99576	2.0
233.03188	1.5
235.00995	1.7
235.02956	2.0
237.02806	25.3
238.03110	2.5
239.07698	6.1
242.05370	3.1
242.55614	2.3
243.05927	1.9
244.06976	1.3
244.99538	2.4
245.05128	2.0
245.08528	1.7
248.99002	4.1
249.02556	1.8
251.04337	1.2
255.03917	6.1
255.06270	1.0
256.04880	1.2
257.08618	2.7
259.06476	1.6
261.04526	1.8
261.08044	6.2
261.54977	1.7
262.55261	1.5
263.00769	11.2
263.03745	2.1
263.06293	1.9
265.07571	1.9
272.98950	1.9
275.09930	7.4
277.02060	1.5
279.09274	14.2
281.01755	2.1
281.05295	3.9
287.00531	1.6
287.09622	3.2
287.94156	1.2
291.08969	1.2
293.05057	2.2
295.03799	1.2
295.06985	8.6
301.08707	1.2
305.01590	3.5
305.05142	9.4
305.10840	100.0
306.10870	1.8
321.68790	4.0
323.03049	1.2
323.06372	12.2
323.11951	13.0
333.01178	2.1
333.04993	3.5
343.68100	1.0
351.02094	1.6
365.03806	2.4
365.08102	36.2
365.12543	4.3
365.67688	1.5
366.08276	1.7
374.01614	1.1
389.08612	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	365.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45063	0.3
51.79196	0.3
51.83501	0.3
52.42323	0.3
56.96567	7.4
57.03419	0.7
61.02914	0.7
69.03416	1.5
69.67638	0.3
70.15305	1.1
70.98116	0.5
71.95257	0.8
72.96053	0.5
73.02907	0.6
81.03409	0.4
82.92025	0.4
84.96025	0.4
85.02902	3.4
86.03233	0.5
88.99160	0.4
97.02882	1.0
98.97582	12.3
101.00885	0.8
102.96902	0.5
110.97569	2.2
112.89695	0.3
116.98624	9.8
119.01918	4.3
124.95490	1.2
127.03910	0.9
128.98616	5.1
131.00093	0.6
131.01912	1.7
133.03426	0.3
134.99660	5.8
137.02972	0.8
140.00179	0.6
140.98541	0.4
142.01736	0.3
142.96504	3.4
143.00142	0.4
143.01936	2.0
145.03482	1.6
145.04947	0.7
146.99661	6.7
149.01173	0.7
149.02940	0.8
153.00690	0.8
155.01895	1.4
156.98083	0.4
157.03470	1.0
158.99631	1.1
159.05063	0.3
160.02902	0.4
160.97600	3.8
161.01382	0.6
161.02957	4.4
162.99113	0.5
163.04523	0.7
164.02386	0.4
165.00754	2.5
170.01450	0.4
170.96022	1.4
170.99677	1.2
173.02957	4.6
174.99126	2.2
175.04459	0.9
177.00719	2.3
177.02289	0.6
178.98595	0.8
179.02237	0.6
183.01660	0.5
184.53404	0.3
184.97545	3.0
185.02893	2.9
185.04266	17.8
187.04533	0.8
188.97070	6.4
189.00697	5.3
190.98560	0.4
191.01958	0.4
191.03983	0.6
193.00203	4.9
193.03554	0.4
193.53804	0.6
197.03024	1.5
201.00696	1.0
202.04086	1.0
202.54248	0.9
202.98640	6.7
203.02174	1.3
203.05295	39.5
204.01694	0.4
205.00116	0.5
206.98163	6.5
207.01709	2.4
210.99362	0.4
211.01276	0.9
211.98619	0.5
212.97055	0.5
215.04044	1.4
217.00131	1.8
219.01749	1.6
220.99687	3.3
221.03271	1.0
221.05046	0.8
223.01155	0.7
224.99242	0.8
226.00247	0.7
226.03467	0.4
227.00447	0.4
227.03967	0.6
229.00182	0.7
230.98134	9.3
233.05034	0.4
235.01245	3.6
237.02838	2.2
239.00751	0.7
241.01772	0.4
242.98242	0.4
244.07881	0.5
244.99663	3.4
245.05084	9.8
247.01195	1.9
248.99178	3.8
253.99728	1.0
255.04034	0.8
257.05118	0.7
258.02847	0.4
260.99298	1.5
263.00748	11.0
263.06290	2.1
265.02280	0.5
265.07816	0.8
274.56427	0.5
275.00830	1.7
275.06131	2.0
279.00385	0.6
281.01770	1.1
283.56903	0.6
286.02390	1.0
287.02573	0.5
291.00211	0.5
293.01801	2.0
305.01535	0.5
305.10718	1.3
323.06503	0.6
333.01294	2.0
333.04736	0.3
347.08566	0.4
351.02365	0.5
365.10797	100.0
366.10745	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	365.0846
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	9.0
59.13017	1.4
69.03431	2.1
70.76754	4.0
79.31429	1.2
83.38430	1.1
85.02918	2.7
85.97667	1.3
97.02914	2.3
98.97581	16.8
110.97562	4.2
116.98605	10.5
119.01927	5.0
121.76025	1.1
124.95509	2.8
128.98582	7.5
131.01924	2.2
133.03424	1.4
134.99643	3.9
142.96510	5.8
143.01929	1.5
145.03468	2.7
146.99660	6.9
155.01860	1.3
158.99590	2.3
160.97601	4.2
161.02972	3.7
165.00735	3.6
170.99609	2.3
173.03011	5.9
174.99211	2.1
175.04582	1.4
177.00723	2.3
184.97572	3.5
185.02924	2.7
185.04277	17.5
188.97057	9.2
189.00732	5.3
193.00201	7.4
193.53748	1.4
197.02962	1.9
202.98706	7.5
203.05319	34.4
206.98116	7.8
207.01784	4.2
217.00101	3.0
219.01691	1.5
220.99754	4.8
230.98146	10.7
235.01369	3.2
237.02881	2.1
244.99712	3.7
245.05182	9.2
247.01260	1.7
248.99286	5.8
260.99072	2.0
263.00787	13.8
263.06226	2.8
275.05896	1.3
281.01785	2.2
333.01434	2.0
365.10980	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	364.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57312	1.5
55.01874	1.7
55.05513	2.7
56.96548	4.3
57.03432	2.3
57.07065	2.1
60.77221	1.4
61.02919	3.1
67.05492	7.1
69.03429	8.7
69.07056	7.1
71.04996	2.9
71.59515	1.8
71.59976	2.8
73.02917	1.6
79.05482	7.1
81.03393	2.0
81.07062	15.7
83.04964	2.2
83.08613	2.9
85.02435	2.3
85.02910	21.3
86.09713	3.1
91.05474	5.3
93.06481	1.9
93.07040	25.6
95.04971	4.0
95.08594	9.1
97.02893	9.7
97.06520	2.5
99.04488	1.7
105.07002	2.8
107.08591	20.6
109.02893	3.8
109.06489	2.5
109.10153	4.9
111.08105	2.4
119.08535	4.1
120.08110	2.9
121.10127	15.1
122.06039	3.0
122.41000	1.7
123.08066	2.0
123.11713	31.9
126.43018	2.1
127.03891	4.5
129.06932	1.8
129.32265	1.7
131.08521	1.8
133.10139	2.9
135.08054	2.4
145.04967	7.0
145.10152	3.4
147.11679	2.2
149.13254	100.0
151.14813	3.2
157.10063	2.2
159.11705	1.8
167.14320	34.2
179.10632	1.5
224.08385	1.6
225.81535	1.6
275.19833	1.6
364.25351	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	365.0636
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04046	1.1
55.05502	1.6
56.96302	1.9
56.96565	32.6
57.03412	1.4
67.05488	1.9
69.03416	2.7
69.07046	1.2
69.98302	2.9
69.98714	4.5
70.06565	4.7
71.04970	1.7
80.19178	1.2
81.07043	2.7
83.04976	1.2
84.04511	1.3
84.08165	1.8
84.96008	3.7
85.02897	9.2
86.09678	3.0
91.05429	1.4
95.04985	1.5
95.08589	2.4
97.02844	1.6
97.06483	1.5
98.97580	21.6
99.04354	1.4
102.97024	1.3
104.40524	1.1
105.01829	1.6
107.08563	2.7
110.07140	4.9
110.97556	5.3
116.07094	1.6
116.98618	15.5
119.07320	2.0
119.08557	2.0
120.08078	2.4
121.10152	1.6
127.03867	1.3
128.98608	11.3
131.00131	3.0
133.10141	1.3
134.99664	11.7
143.00096	1.5
143.92873	1.1
145.05005	1.2
146.99652	9.9
149.01198	2.1
158.99695	3.7
161.01219	6.5
162.99126	1.7
165.00734	2.7
167.10577	1.4
168.10944	1.1
170.99622	3.1
177.00664	5.4
179.02258	2.6
189.00642	3.6
190.12234	2.2
195.03239	3.6
201.00719	2.7
201.10254	1.6
203.03293	1.4
203.05344	2.7
209.01117	1.8
213.04344	15.9
219.01755	7.5
221.01080	1.7
231.05331	2.5
235.11884	3.5
237.02789	23.7
239.02266	18.6
255.03865	3.6
257.03293	17.0
258.03683	1.3
259.10873	1.3
260.04501	2.1
262.03934	3.0
263.02274	1.4
275.24625	1.3
279.05453	1.5
281.03247	2.0
285.67429	1.3
305.03186	2.7
315.18143	2.8
317.03403	2.4
324.56125	1.4
347.12314	3.6
365.05579	100.0
365.21783	8.3
366.05859	5.1
383.06494	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	363.1801
Annotation	Gibberellin A38
Peak:m/z	Relative Intensity
52.42994	0.6
55.01862	1.2
55.05498	1.3
67.05504	3.6
69.03429	38.9
69.07059	2.3
70.06583	1.4
70.85970	1.8
71.04998	0.7
72.08132	0.6
79.05477	2.1
81.03420	6.3
81.07057	4.3
84.38104	0.6
85.02908	0.9
91.05447	1.8
93.07030	3.2
95.04944	1.2
95.08611	3.2
97.06551	4.0
104.35833	0.6
105.07024	3.5
107.04915	1.0
107.08594	2.9
109.06509	0.7
109.10165	11.9
117.07027	1.3
118.06895	0.6
119.04946	0.9
119.08585	4.0
121.06492	5.1
121.10181	1.1
123.08037	1.3
124.07595	0.6
125.06049	0.8
129.07019	1.1
131.08562	2.6
133.06499	3.2
133.10106	1.3
135.08040	2.7
135.11649	0.9
137.05992	0.7
137.09552	0.6
143.08562	2.2
145.06502	1.3
145.10117	2.6
147.04419	0.8
147.08044	4.0
147.11684	0.9
149.05980	0.8
149.09647	0.9
151.07536	1.7
154.07626	0.8
155.08505	1.9
156.09398	1.0
157.10130	2.8
159.08069	2.0
159.11679	2.5
160.05190	1.4
161.05945	2.7
161.09630	2.9
163.07558	1.5
165.07166	0.6
165.09013	0.6
167.08531	1.0
169.06523	0.7
169.10120	5.0
170.10815	1.0
171.08067	5.3
171.11644	2.1
172.08768	1.4
173.05994	0.9
173.09653	3.1
173.13145	0.8
175.07565	1.7
175.11229	2.7
177.09149	1.3
179.08553	0.9
181.10112	1.1
182.10977	0.8
183.07968	1.3
183.11703	2.6
185.09569	3.5
185.13254	1.4
187.07568	1.0
187.11174	8.5
188.08319	0.7
189.09084	6.5
191.06981	1.0
193.10167	0.9
195.04668	0.6
195.08063	0.8
195.11612	1.7
196.12437	1.1
197.09641	2.8
197.13281	2.9
199.11237	1.9
201.09100	2.8
201.12715	0.8
201.16382	0.9
203.10712	3.3
205.08604	1.2
206.10841	1.1
209.13249	1.3
210.10439	0.7
211.11342	3.1
211.14789	8.0
212.11877	0.9
213.09154	0.8
213.12726	2.5
215.10669	3.7
217.08577	1.3
219.44054	0.6
221.13344	3.6
223.11385	0.7
224.11969	0.8
225.09172	0.8
225.12767	0.8
225.16322	1.5
227.14296	1.0
229.08684	0.9
229.12056	1.4
229.15863	3.4
231.10184	10.7
231.13629	3.1
235.14809	1.3
237.12773	2.3
239.14285	13.5
241.08592	1.5
243.10172	2.8
243.14003	0.7
243.17461	2.0
253.15883	3.9
255.13925	1.4
257.15350	9.1
259.09665	2.3
263.14288	1.8
271.13788	0.8
271.16919	16.2
281.15393	4.9
283.16962	1.0
284.14096	8.9
289.14267	0.7
299.16412	50.6
300.16913	1.6
317.17444	9.9
327.15900	100.0
328.16248	2.8
345.16968	31.1
363.13870	0.5
363.17987	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	363.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96552	1.2
69.03429	0.8
69.07081	0.6
70.92194	1.0
70.92552	0.6
72.08144	1.4
81.03408	0.8
81.07050	0.6
84.08099	0.6
85.02878	1.2
93.07082	0.8
97.02882	0.7
98.97582	0.8
110.07155	0.6
115.18946	0.6
187.10837	0.8
201.11052	4.4
219.10829	0.8
237.02602	0.7
321.13785	1.1
345.10709	0.7
363.16245	100.0
364.16568	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	363.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	3.8
55.05503	7.0
56.96561	2.4
57.03445	2.7
67.05500	7.7
68.05036	2.4
69.03438	4.4
69.07062	7.1
69.77773	5.8
69.78181	5.2
70.06586	6.5
71.04984	4.9
72.08157	3.6
73.41587	1.6
79.05483	6.7
80.04984	2.4
81.03008	2.7
81.03418	14.8
81.07066	8.8
84.08156	3.0
85.02904	3.7
85.52914	1.8
86.09698	3.3
91.05486	8.4
93.07041	7.5
94.06553	14.1
95.04960	8.9
95.08608	4.4
97.02909	8.1
97.06503	3.8
103.05482	2.1
105.07047	9.1
107.04976	4.1
107.08590	2.7
108.08115	3.3
109.06498	2.7
109.10154	3.5
110.06071	2.2
112.07607	3.4
116.04974	3.6
116.98555	2.0
117.07055	2.0
119.08581	4.8
119.34077	1.7
120.04442	2.3
120.08104	6.7
121.06530	4.8
121.10159	1.9
122.06035	47.8
123.04429	4.2
123.08041	3.3
123.11723	2.9
124.07593	4.6
125.09614	2.6
127.03923	2.3
129.07036	2.6
129.10257	2.1
131.04889	2.1
131.08588	5.7
133.06471	3.9
136.03937	3.7
136.06213	3.5
136.07596	2.5
137.06010	3.6
138.09155	5.1
140.07068	54.7
141.07152	2.2
143.08595	2.4
144.04442	10.2
145.06480	2.6
146.06018	7.7
147.04372	2.4
147.11696	3.8
148.03938	6.9
148.07547	2.5
150.05493	5.0
151.07501	2.1
152.07082	2.4
154.05005	3.8
155.08533	2.2
159.11711	3.5
160.05150	3.2
161.05992	13.2
161.09628	3.2
162.04347	2.1
162.05446	12.7
163.07555	2.1
166.04976	5.4
167.07062	3.2
167.08420	2.5
172.03923	45.8
172.05389	2.3
174.05530	3.9
178.08618	2.2
180.06548	2.1
183.13748	3.1
187.07339	2.2
190.05003	13.3
194.04460	16.3
197.09647	2.5
203.07071	2.1
203.10637	3.1
204.06563	100.0
205.07072	3.8
206.08127	30.7
212.14005	2.0
213.09335	2.2
215.08170	7.4
222.07617	8.5
229.06073	1.8
243.07565	3.4
243.11261	3.8
244.09616	4.8
245.12900	3.4
253.09802	2.5
271.10818	10.5
271.13339	2.6
281.11755	3.9
289.11801	11.0
289.14587	2.9
299.10190	5.6
299.13129	4.8
307.12903	14.7
309.11322	2.6
313.11624	3.5
317.11224	2.4
327.13025	5.8
331.12881	13.2
345.10742	24.0
345.14484	17.1
363.11469	10.3
363.18298	12.6
363.22757	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	363.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	17.0
69.03425	3.6
70.06586	1.7
71.22841	2.5
71.23198	3.0
74.00579	1.6
84.08133	1.7
84.96027	2.9
85.02896	8.0
86.09720	3.5
89.74067	1.9
96.94200	1.6
97.02874	5.3
98.97581	97.3
104.75293	1.6
110.97586	2.8
115.03928	1.7
116.98624	88.8
119.01919	3.3
127.03883	2.9
128.98598	6.8
134.99660	54.0
135.00658	3.6
136.06212	10.8
136.07570	3.7
137.06531	6.5
137.07724	1.9
140.00226	5.2
143.00150	2.0
145.04956	3.0
146.99655	9.2
153.00714	5.6
158.01224	3.6
158.99646	42.1
159.03336	6.6
161.01311	2.9
161.02823	2.3
162.99129	1.8
165.07491	1.7
168.86964	1.9
173.01360	2.3
173.02814	2.1
177.00711	100.0
177.04340	7.9
177.27457	1.9
181.10777	1.9
182.04857	1.7
189.00764	2.4
191.03897	1.9
191.05785	2.6
195.00162	2.4
195.01764	11.2
200.02338	7.8
201.04340	7.2
219.01762	61.9
219.05330	5.0
232.99725	1.8
237.02779	32.4
243.05452	6.4
245.05173	3.4
289.65909	1.9
295.06946	3.4
303.07455	34.0
321.08517	41.9
322.09152	1.8
344.09976	3.2
363.09271	28.0
363.16559	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	362.2903
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
55.05509	7.0
56.96575	11.0
57.03446	2.7
57.07069	6.2
61.02923	5.9
61.63124	1.6
67.05503	23.5
69.03434	6.9
69.07068	5.0
70.06588	10.8
70.79142	4.9
71.04993	39.8
71.08637	4.8
73.02925	2.5
79.05505	10.1
80.83823	1.7
81.03414	4.2
81.07058	20.7
83.08617	5.3
85.02908	4.7
88.07629	12.2
91.03955	2.6
91.05477	7.5
93.07049	8.5
95.04965	4.2
95.08619	7.1
97.02897	4.1
97.06554	2.1
97.10186	4.5
99.04499	2.6
99.08113	2.2
102.09159	1.8
105.07059	6.0
105.25632	1.9
107.08601	6.4
109.10175	12.2
113.00035	4.3
114.09209	6.1
117.06995	2.8
119.08589	4.5
121.06502	1.9
121.10124	2.2
123.11739	6.5
125.09687	4.6
127.03996	2.1
132.10228	24.5
133.10233	3.1
135.08118	2.3
137.09546	1.7
145.13303	1.7
149.13263	2.8
151.11212	5.3
155.14302	22.4
159.11708	2.8
161.13261	2.5
169.02689	3.2
171.38023	1.7
173.11749	24.8
173.13144	1.8
176.12901	5.2
177.12740	2.7
189.11250	7.6
189.12781	2.0
194.13966	5.1
195.13910	3.4
217.07442	2.7
227.16379	8.6
250.09715	2.7
256.26184	8.2
262.24908	1.7
273.10229	2.7
274.27466	2.6
277.21640	8.5
281.07346	1.8
281.10718	4.5
281.17642	2.6
283.08658	5.3
285.10242	1.8
297.10422	3.0
299.08270	3.7
299.11740	3.8
301.09671	3.5
317.09167	4.9
318.30319	2.6
362.14713	2.2
362.25629	3.6
362.32773	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	362.2537
Annotation	Broussonetine F
Peak:m/z	Relative Intensity
53.03953	0.7
53.35733	0.5
53.35999	0.5
55.01866	0.9
55.05509	3.2
56.05019	2.0
56.96554	0.6
57.03432	1.3
60.04528	10.7
65.03921	0.7
67.05505	8.8
68.05022	1.2
69.03422	1.0
69.07070	3.6
70.06588	5.0
70.07413	0.5
71.04977	1.1
71.58607	0.8
72.04509	0.6
72.08142	5.4
73.02892	0.7
79.05487	5.3
80.05017	0.9
81.03426	0.7
81.07062	7.8
82.06583	1.9
83.04967	1.1
83.08633	1.6
84.04507	1.2
84.08151	3.8
85.02906	1.8
85.06538	1.5
86.06063	1.9
86.09705	8.2
87.04430	0.6
91.05485	4.8
93.07041	5.6
94.06566	1.7
95.04955	1.6
95.08604	6.6
96.08102	2.5
97.02897	0.7
97.06544	1.0
98.06036	0.6
99.04488	0.6
100.07595	0.6
105.07037	3.1
107.04969	0.9
107.08576	3.4
108.08132	1.0
109.06535	0.9
109.10156	2.9
110.06052	0.7
110.09697	1.2
111.08070	0.8
112.07605	1.9
113.06040	0.5
114.09180	3.0
116.07098	2.8
117.07044	1.0
119.08578	3.0
120.08079	3.4
121.10149	3.0
122.06073	0.8
122.09667	1.6
123.08030	1.0
123.11720	0.7
124.07561	0.9
124.11217	0.8
126.09121	1.0
127.03877	0.5
129.10219	0.6
130.08632	2.4
131.04881	0.8
131.08582	1.2
131.23528	0.5
133.10139	1.3
135.08047	1.0
135.11702	1.1
136.07556	1.0
136.11201	0.7
137.09615	1.4
140.07022	0.5
141.26982	0.5
145.10156	0.9
147.04430	0.8
147.07979	0.7
147.11754	1.0
149.05881	0.8
154.12263	0.7
159.08374	0.8
159.11691	0.6
161.13306	0.6
163.07532	0.6
165.05455	0.7
165.09123	1.0
167.06989	0.5
175.14967	0.5
183.10202	1.2
185.16483	3.0
194.04573	1.3
200.12808	1.4
213.15996	3.1
215.08099	0.8
219.15019	0.7
220.20630	2.0
236.20065	5.1
246.22273	1.1
249.12512	0.6
250.21619	1.1
262.21606	3.6
264.23206	9.3
267.07440	0.5
280.22711	20.7
281.22882	0.8
282.20670	4.8
282.24274	5.2
287.22083	0.6
290.21124	1.3
298.23764	6.4
300.25211	1.8
308.22043	2.8
316.24966	3.0
318.15585	0.7
323.58957	0.6
326.23291	16.2
327.23798	0.6
344.24313	17.9
345.10721	2.5
362.25357	100.0
363.11890	0.9
363.18631	0.6
363.25430	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	362.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.8
55.01854	1.4
55.05505	1.0
56.05014	0.8
56.96552	1.6
57.03422	1.8
58.47645	0.8
58.99574	2.6
60.04507	2.1
61.02917	2.4
67.05498	1.2
69.03429	6.0
69.07051	1.2
69.83429	1.5
69.83843	2.6
70.06592	3.4
71.04997	1.0
72.08166	0.9
74.06063	0.7
76.02222	5.5
79.05479	2.9
81.03406	2.3
81.07048	2.2
83.04959	1.2
83.08620	0.7
84.04491	1.5
84.08125	1.7
85.02424	1.2
85.02900	16.1
86.06021	0.8
86.09702	3.3
86.99042	2.0
87.04460	0.6
87.10041	0.8
91.03914	0.7
91.05473	7.8
93.07027	3.8
93.88815	0.6
95.04964	1.6
95.08576	2.1
97.02881	6.6
97.06489	0.8
98.97579	0.9
99.08075	0.8
105.00092	4.3
105.07039	4.4
107.04948	2.4
107.08607	2.5
109.02827	1.6
109.06490	0.9
109.10152	4.6
110.06029	0.8
116.06195	1.3
117.07016	4.7
119.04913	1.3
119.08571	2.7
120.06584	1.1
120.08041	0.8
121.06509	8.0
121.10130	1.9
122.02722	39.5
123.03065	1.1
123.04414	5.4
123.08025	0.8
124.03825	0.7
124.07604	1.4
127.03896	3.8
129.07001	1.5
129.10216	1.3
131.04939	0.9
131.08556	20.3
132.08797	0.8
132.81764	0.7
133.10094	1.5
135.08043	1.5
136.07561	1.8
137.05946	3.2
137.09598	4.3
141.06982	0.8
145.04961	3.2
145.06375	1.3
147.04390	3.2
147.08015	3.6
149.05969	1.9
149.09610	5.6
150.06766	0.9
154.08578	1.4
159.08046	9.3
161.09576	4.3
165.05475	4.8
165.09108	100.0
166.09471	1.3
177.09100	29.4
178.09444	1.2
179.10725	0.9
180.08679	1.3
183.06538	1.2
183.10133	6.5
187.07544	7.8
187.14450	1.4
189.09122	2.7
200.07257	0.8
200.09157	1.4
200.12819	2.0
205.07014	0.7
205.08582	4.1
207.66258	0.9
215.13879	1.0
219.01584	0.8
223.09668	1.3
237.02824	1.1
258.86298	0.7
281.08157	0.8
291.12213	1.1
308.22427	0.8
326.23169	1.5
344.24286	2.2
362.12979	1.3
362.18564	3.2
362.25275	5.5
363.11908	1.0
363.16132	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	362.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	4.0
57.03426	4.7
57.26985	1.9
59.29504	1.7
60.04511	3.3
61.02913	6.5
69.03427	10.9
69.25040	1.6
70.06548	3.2
70.55276	5.4
71.04983	2.9
73.02907	1.8
79.05470	2.2
81.03406	8.4
81.07034	3.5
85.02899	49.7
86.09697	3.8
91.03947	3.6
93.07045	2.3
95.04954	2.8
97.02878	15.2
98.97600	2.4
99.04435	2.2
109.02873	6.1
110.86827	1.5
116.98583	4.1
119.04987	1.9
122.02737	4.6
123.04440	2.7
123.85232	1.7
124.99056	1.9
127.03905	13.2
131.08528	3.5
134.99596	3.2
137.05971	100.0
145.04965	20.4
146.99672	1.8
153.13310	1.8
154.54874	1.9
163.05974	3.5
165.09106	5.6
166.05112	2.0
177.09142	1.8
179.03383	16.9
180.03592	2.8
180.08643	3.6
182.11777	2.0
183.06525	31.4
200.09113	3.2
200.12781	4.4
237.02647	2.9
362.14578	5.2
362.25259	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	362.1267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.7
53.98668	0.7
55.01873	1.4
55.05504	1.4
56.05028	0.7
56.96558	1.0
57.03425	0.9
58.99584	6.3
60.04520	1.0
61.02916	0.7
67.05506	1.5
69.03426	4.7
70.06587	1.9
71.04979	0.8
71.57924	0.8
71.58270	1.1
72.08119	0.7
73.02914	0.8
76.01825	1.2
76.02225	14.8
79.05484	3.5
81.03404	2.4
81.07050	1.9
84.08154	0.8
85.02896	7.1
86.09699	3.7
86.99055	4.6
91.05484	13.2
93.07034	6.3
95.04996	1.1
95.08590	1.6
97.02884	3.2
98.97568	0.9
99.04433	0.8
103.05492	0.9
105.00101	7.4
105.07030	10.7
107.04939	4.3
107.08585	5.4
108.08106	0.8
109.02873	0.9
109.06531	1.2
109.10168	0.8
110.09656	0.8
115.05429	1.5
116.06221	2.5
116.67982	0.6
117.07019	9.2
119.04911	0.8
119.08582	2.1
121.06503	19.1
121.10159	4.4
122.02726	100.0
123.04420	3.1
123.08073	1.2
124.07600	1.1
127.03934	1.3
127.07526	0.8
128.06216	0.7
129.07016	2.5
131.04929	0.8
131.08562	47.7
132.08888	0.8
132.77972	0.7
133.10123	5.3
135.08055	4.7
136.07590	2.0
137.05988	2.0
137.09628	1.4
138.09138	1.0
141.07001	0.9
142.08667	0.9
145.04964	1.9
145.06453	4.0
147.04427	2.3
147.08023	1.0
149.05981	3.1
149.09613	13.6
154.08574	1.7
155.10733	0.8
159.08047	23.3
161.09631	5.5
163.07523	2.2
165.05501	2.6
165.09111	15.3
177.09102	69.0
178.09473	1.3
180.08522	1.0
182.08191	0.7
183.10110	1.5
187.07547	19.7
187.76146	0.6
200.09164	1.2
200.12816	1.5
205.08588	14.9
219.01498	0.7
223.09669	2.6
231.17914	0.7
237.02805	0.9
239.06989	1.1
326.23334	1.6
344.24332	2.2
362.12820	2.1
362.19025	3.9
362.25449	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	361.2947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.7
55.01872	1.9
55.05510	15.1
56.96542	2.4
57.07073	9.2
59.05004	1.8
67.05504	28.4
69.03419	6.0
69.06726	2.3
69.07069	32.3
69.37541	17.1
71.05008	9.8
78.83756	1.7
79.05496	15.5
81.07058	100.0
82.07354	3.2
83.04988	2.4
83.08604	11.3
85.02901	3.3
85.06543	16.8
86.09700	4.0
91.05482	9.6
93.06478	2.3
93.07043	34.8
94.07359	2.0
95.04941	5.7
95.08607	72.8
97.02908	2.1
97.06532	10.3
97.10160	6.2
99.08098	4.6
103.05449	2.9
105.07035	17.8
107.04934	5.4
107.08595	38.1
109.06497	3.8
109.10150	39.2
111.08079	20.3
111.11707	6.3
117.07047	2.8
119.08567	13.0
121.06547	2.3
121.10149	24.8
122.09642	3.8
123.08051	3.0
123.11711	57.6
124.12032	2.9
125.09629	7.8
127.03999	1.8
127.11180	3.5
129.07047	2.1
131.08546	4.0
133.10124	7.1
135.11691	19.3
137.06009	2.2
137.09694	3.0
137.13245	23.2
139.11127	4.5
139.31757	1.8
141.12759	3.2
142.68546	2.3
145.10103	4.8
147.11661	11.5
149.12187	2.3
149.13268	27.4
151.07503	2.3
151.11201	6.0
153.12726	11.2
155.14247	2.5
157.06538	3.5
159.11728	3.3
161.05998	5.0
161.09598	1.7
161.13243	7.4
163.14827	4.9
165.12779	10.2
167.07063	6.6
169.12221	2.8
171.13773	7.7
173.13223	3.4
175.14769	4.3
177.16353	1.8
181.08563	9.6
189.09119	8.8
189.16377	2.9
191.17915	3.3
203.17963	4.5
207.10234	2.3
225.09036	2.1
237.18439	2.4
237.22099	2.1
253.08572	1.8
257.11661	2.0
259.24194	1.8
271.24319	4.2
277.25293	9.4
285.11172	2.4
289.25220	10.2
295.26334	3.2
307.26263	18.3
317.13818	2.8
325.27496	2.0
361.16403	2.4
361.22958	3.1
374.22717	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	361.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.1
55.01889	1.5
55.05511	17.5
55.05758	2.4
56.96566	3.3
57.03435	3.7
57.07065	5.6
59.05001	1.9
60.04504	1.6
65.03937	1.7
67.05500	29.1
69.03432	8.7
69.07066	33.6
70.06583	3.4
71.04994	9.2
71.59431	2.5
72.08137	2.2
79.05492	16.9
81.03420	4.3
81.07056	100.0
82.07368	1.9
83.04985	3.0
83.08616	11.2
85.02895	9.9
85.06549	12.1
86.09689	2.2
91.05486	12.3
93.07040	34.0
93.16653	1.3
95.04979	4.8
95.08604	57.2
96.97155	1.4
97.02884	3.7
97.06533	9.1
97.10160	5.3
99.04446	2.3
99.08099	5.1
103.05499	1.6
105.07035	13.8
107.04928	3.2
107.08585	35.1
109.02889	1.8
109.06512	4.6
109.10155	40.6
110.10501	1.9
111.07336	2.4
111.08070	17.8
111.11726	5.0
113.00021	6.2
113.09647	1.3
114.09162	1.6
117.07024	3.3
119.08573	11.5
120.08113	1.8
121.06528	2.8
121.10135	20.0
122.06024	3.0
122.10404	2.1
123.04417	1.6
123.08083	3.5
123.11707	49.5
124.07629	1.5
124.12099	1.7
125.09626	5.0
127.03927	3.0
127.07581	2.2
127.11211	2.5
129.06963	2.0
130.06502	1.3
131.08594	4.5
133.10143	5.8
134.06026	1.5
135.08018	1.8
135.11694	19.7
136.03978	1.6
137.05995	2.6
137.09628	1.6
137.13242	11.9
139.11169	6.3
140.07045	4.5
141.12738	2.9
143.08595	2.6
145.05014	1.4
145.10103	3.7
147.11659	8.9
149.13240	19.9
151.07614	3.0
151.11188	9.6
153.12753	7.0
155.14311	3.3
157.06535	1.7
157.10094	1.5
159.11678	4.2
161.05998	3.1
161.09653	1.6
161.13269	5.1
163.07574	2.1
163.11238	1.9
163.14801	7.1
165.12782	5.3
167.07019	4.2
167.14331	2.7
169.02573	7.0
169.06647	1.3
169.10057	2.1
169.12228	2.3
171.13808	3.1
173.04384	1.4
173.09720	1.8
173.13399	1.7
175.14839	3.7
177.16406	2.9
181.08640	4.7
181.15875	2.4
187.13226	2.2
189.09142	5.3
189.16364	3.0
189.95135	1.5
191.18008	1.6
193.15912	1.9
199.15244	1.6
199.16963	4.8
200.12881	4.8
203.18034	2.6
207.10214	1.7
208.02708	1.5
220.06061	2.9
225.09003	2.0
229.10110	1.4
252.09273	2.0
259.24149	2.0
263.23749	1.7
271.24359	1.6
277.25262	5.1
283.09763	1.5
289.25262	10.8
295.26266	2.9
307.26318	15.0
317.13675	1.8
325.27307	3.3
329.11346	1.9
333.13974	1.5
361.13467	2.0
361.24530	1.7
361.31955	2.0
362.18198	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02373	1.5
53.03942	2.9
55.01882	1.8
55.05509	2.8
57.03440	1.3
57.93517	1.1
58.07142	1.4
65.03925	2.1
67.05505	5.4
69.03438	2.7
69.07077	3.5
71.04999	1.3
71.59219	1.7
72.08145	1.6
77.03909	1.4
79.05490	15.8
79.38875	1.1
81.03439	2.2
81.07055	9.7
83.04982	1.9
83.08621	1.9
84.08130	1.2
85.02910	4.9
85.06535	2.2
91.05482	22.0
93.07043	13.6
95.04972	10.4
95.08622	3.8
97.06517	1.2
99.21920	1.3
101.98380	1.1
103.05476	13.2
105.04498	1.8
105.07030	15.1
106.04182	1.4
107.04950	30.1
107.05615	2.2
107.08592	3.9
109.02882	1.6
109.06514	2.9
109.10138	6.0
111.04444	2.9
111.08065	2.4
115.05459	4.2
116.06257	1.5
117.07011	4.1
119.04951	4.0
119.08589	4.9
120.05723	3.1
120.25924	1.1
121.02951	1.3
121.06499	20.0
121.10152	2.3
122.06056	2.2
123.04403	8.2
123.08071	2.5
124.05223	5.0
125.06010	4.2
125.09624	1.4
127.05394	1.2
128.06229	7.3
128.07039	1.1
129.07002	27.6
131.04921	9.0
131.08554	12.3
131.94083	1.2
133.02867	2.2
133.06488	5.4
134.03600	1.5
135.04430	3.4
135.08052	8.4
135.11670	1.3
136.05208	1.8
137.05968	19.8
138.03076	1.4
138.06729	1.9
139.07417	1.2
141.07033	2.7
143.08586	1.6
144.05704	2.0
145.06505	5.8
146.03625	1.2
146.07265	4.2
147.04440	3.3
147.08031	3.4
147.11815	1.4
148.05200	3.2
149.06003	7.0
151.03911	4.9
151.07512	16.3
152.04630	2.7
152.06166	2.4
153.05458	13.8
153.06683	1.8
154.07881	1.2
154.58231	1.4
155.07042	1.7
155.08527	1.5
156.05699	1.8
157.06485	17.2
159.08069	2.8
160.05269	1.6
161.05975	37.9
161.07254	2.5
161.09621	11.8
163.07550	19.6
163.14871	2.0
165.05598	2.5
165.06969	9.3
165.09100	10.8
166.06239	12.2
167.07066	61.3
167.08556	6.3
168.07391	3.3
169.06491	1.7
171.08084	2.3
173.06009	1.5
173.11743	2.9
174.06787	12.5
175.07469	7.7
176.08360	1.1
177.05531	2.5
177.06956	2.0
177.09125	11.1
178.07651	1.8
179.07021	4.0
179.08572	5.1
179.10561	1.9
180.07722	2.0
180.09273	1.7
181.06592	4.2
181.08592	100.0
182.07251	7.6
183.08022	2.0
187.07556	2.9
189.09109	76.2
190.07855	1.7
190.09506	2.8
191.07082	2.6
191.08569	5.5
191.10663	3.8
193.06516	4.5
193.08627	1.8
194.07265	3.5
195.08057	9.1
195.09953	2.3
196.08774	2.0
197.05872	2.1
197.09639	10.1
199.07527	2.6
199.17058	1.9
202.20993	1.2
203.10620	1.5
205.06589	1.7
207.08090	5.1
207.10187	18.1
207.12007	1.8
208.08861	3.8
209.05988	2.1
209.09627	2.7
210.06758	6.4
211.07529	4.9
212.08305	1.6
213.09085	2.3
218.07449	1.3
219.08040	6.4
221.06053	5.2
221.09592	2.9
222.06766	2.2
223.07526	8.1
223.11224	5.3
224.08151	2.9
225.05486	4.2
225.09053	18.7
227.06946	6.9
227.10646	1.9
229.12216	2.6
233.09547	1.9
235.07553	3.7
236.08347	4.4
237.09137	5.3
239.06944	6.8
239.10617	2.4
240.07823	6.0
241.08519	3.1
242.09399	2.6
243.09927	1.5
247.07431	1.3
251.07076	4.2
251.10599	6.0
252.07761	1.7
253.08615	11.9
254.09377	2.7
255.06589	5.5
255.10173	7.4
257.08017	1.6
257.08957	1.5
257.11710	14.6
264.07816	1.5
265.08615	3.3
266.10004	1.3
267.10049	2.3
268.07294	2.9
268.10953	1.7
269.08109	2.8
270.08813	3.5
271.09555	1.5
279.10309	7.0
281.08157	2.2
282.09018	1.5
283.09705	10.6
283.13321	8.6
285.08051	2.8
285.11203	38.1
286.11728	1.9
296.10574	2.7
297.11273	3.7
299.09244	2.8
299.12762	3.5
300.10013	2.1
302.11429	4.4
305.13821	2.4
311.12869	7.3
313.11002	1.4
315.12271	17.3
315.15652	2.6
317.13864	25.7
329.13846	5.4
331.15430	3.0
343.15497	13.4
345.11160	2.2
361.16672	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.9
55.05501	0.7
56.05019	0.7
57.03447	0.6
60.04497	0.5
67.05480	0.5
69.03426	1.7
69.07067	1.1
69.61828	1.7
69.62254	1.8
70.06613	1.0
71.04998	0.6
72.08141	2.0
73.02909	4.4
73.44741	0.5
74.06061	0.4
79.05473	0.9
81.03429	0.9
81.07031	0.9
84.04500	1.4
84.08156	0.9
85.02895	4.0
85.06543	0.6
86.09694	3.7
87.04424	0.6
87.10018	0.9
88.89692	0.4
91.05499	0.9
93.07043	1.3
95.04968	0.8
95.08598	0.8
95.36504	0.4
97.02889	1.7
97.06568	0.7
98.97581	0.6
99.04470	0.5
103.05376	0.5
107.04933	0.6
107.08553	1.2
116.07086	0.7
119.08589	0.5
121.06502	0.7
122.02718	0.6
123.08054	0.8
127.03895	1.4
131.08572	0.7
132.04419	0.5
135.04430	0.6
136.61716	0.4
137.05962	2.1
147.04359	0.5
153.07022	0.7
154.08688	0.7
161.05945	0.9
162.07651	0.7
163.07501	0.6
163.11177	0.7
166.08691	0.5
167.06982	0.6
173.12958	0.6
181.06844	0.6
181.08372	2.3
181.09770	1.2
181.12193	2.6
185.04228	2.1
199.07645	0.9
199.09425	9.9
203.05310	4.6
209.05980	0.5
233.06360	0.4
236.56017	0.7
239.07121	2.1
256.07410	1.0
259.09729	1.0
265.05136	0.5
271.09711	1.5
285.07434	1.1
297.07645	1.6
299.14655	5.0
301.07120	0.7
315.14160	15.8
316.14667	1.0
325.10663	0.6
331.11707	2.3
343.11719	2.7
351.51535	0.5
361.14688	100.0
362.15186	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	361.1104
Annotation	Kuanoniamine D
Peak:m/z	Relative Intensity
52.01292	1.7
56.96558	2.0
61.02923	2.4
69.03415	4.4
70.06581	5.0
70.50227	2.0
71.57985	1.8
71.58475	3.0
72.08132	7.9
81.03406	3.1
82.06592	1.9
84.04501	2.6
84.39014	2.4
85.02921	9.1
86.09686	9.0
91.05466	2.5
91.89735	1.7
97.02897	3.5
98.97596	3.9
109.02853	2.4
127.03922	2.6
129.01753	2.4
129.10240	3.1
145.05028	1.8
161.02933	4.1
177.25920	2.0
203.04076	2.7
275.10947	3.4
301.11310	2.5
317.12079	23.3
361.10934	100.0
361.14725	19.5
362.11362	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	361.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56347	0.2
58.00840	0.2
63.29988	0.2
69.03432	0.4
70.84344	0.6
84.08131	0.3
86.09702	0.3
97.02898	0.2
98.97578	0.4
107.08570	0.2
123.08117	0.3
127.03866	0.3
183.06494	0.3
199.09465	0.8
269.94009	0.2
301.12628	1.1
301.65723	0.2
349.35818	0.2
361.14700	100.0
362.15051	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	361.0709
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	6.8
56.96567	100.0
57.03422	18.1
60.04522	6.6
61.02919	28.8
62.09066	3.8
69.03448	24.7
69.03756	4.6
69.07062	4.9
69.83853	27.9
70.06584	8.9
70.98119	9.4
71.05009	8.2
72.08149	15.3
73.02908	19.5
74.06075	5.7
75.04463	6.9
81.03407	12.9
82.16204	4.4
84.04497	7.4
84.08157	43.5
84.96027	10.9
85.02908	60.4
86.09700	36.3
87.04466	9.5
88.99155	10.6
97.02917	25.6
98.97580	52.6
99.04441	6.1
101.98190	5.2
107.00166	7.2
110.97589	9.6
112.37932	4.4
113.01764	6.8
116.98627	56.5
117.01817	7.5
118.01019	5.1
118.79804	4.8
119.01923	24.1
127.01526	5.8
127.03953	23.2
128.98608	20.6
129.10245	30.1
130.93321	4.4
131.01851	8.8
132.00693	5.1
133.01718	7.1
133.06084	8.8
134.99648	38.0
135.06807	5.4
136.06187	16.3
137.02931	6.2
139.01514	4.9
142.96503	5.9
145.01770	5.0
145.03436	15.2
145.04961	7.8
146.99680	27.8
147.01376	5.3
147.07605	7.5
148.03882	14.4
149.02928	6.8
150.01758	5.1
151.02736	4.7
154.94145	5.9
155.04588	4.7
157.02534	37.0
157.04457	9.3
158.99651	16.2
160.06448	6.4
161.02930	14.8
162.99159	6.8
163.04543	5.6
165.00742	30.7
166.03093	10.4
168.01851	5.0
169.00627	5.9
170.05118	11.2
172.95288	11.0
173.03004	9.8
175.02814	5.5
175.04517	6.8
177.00760	22.4
177.02464	4.3
177.04178	6.6
183.01846	5.2
186.04443	6.6
186.99136	5.9
187.14526	8.7
188.05893	8.0
188.97049	5.7
189.00711	13.5
189.02466	7.7
189.04347	15.5
190.96350	8.6
190.98659	30.2
191.00247	5.8
191.02092	10.4
191.03658	6.8
193.00200	11.0
197.02103	6.3
198.02878	10.0
199.10692	5.7
201.00621	8.5
203.02185	13.8
203.03874	5.6
205.00266	13.7
206.02615	13.9
206.07129	7.5
206.98177	13.1
207.05435	6.8
208.96455	5.1
208.99680	14.0
212.02617	11.0
213.03325	12.9
216.98511	5.7
219.01749	16.2
220.06195	7.1
221.03142	10.9
221.05081	18.1
223.01274	18.6
224.08057	17.0
227.03096	8.3
230.06970	12.1
232.99681	11.5
237.02773	18.5
242.03622	32.2
242.07390	8.9
242.53667	5.5
245.05042	8.9
248.08032	37.8
249.04280	7.2
249.06413	10.4
251.00804	15.1
251.04211	8.5
258.04892	19.6
261.02676	5.6
262.05365	5.3
262.54913	6.2
263.00748	9.8
268.16245	4.6
275.09659	6.5
280.07654	5.2
293.10864	7.3
300.95947	5.5
303.07526	4.9
315.13251	8.1
319.15479	31.2
328.00836	4.8
361.09088	14.1
361.14328	8.8
361.24557	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	34.5
56.96564	10.4
59.04998	9.3
67.05501	69.2
69.03436	6.4
69.07062	41.9
69.81726	36.5
71.04989	67.8
76.43199	6.4
79.05502	61.4
81.07047	45.6
83.05015	9.4
83.08617	26.1
85.02880	8.7
91.05486	28.7
93.07042	74.3
93.58674	6.3
95.04981	9.9
95.08604	40.6
97.06509	16.7
97.10175	32.2
105.07032	23.8
105.20971	6.3
107.08601	73.9
109.10146	67.1
110.29736	5.8
117.06971	8.9
119.08600	15.4
121.10148	79.5
125.09632	22.9
131.08565	6.1
133.10149	14.5
135.11627	9.9
137.09644	8.2
143.76474	6.7
145.10117	8.8
147.11705	7.3
149.09641	10.5
153.12732	48.9
155.10722	9.3
159.11705	7.3
163.11171	7.6
169.10117	9.3
173.11740	100.0
188.79567	6.2
189.11191	30.4
275.20071	70.6
293.20844	7.5
302.72681	7.6
360.22299	9.3
360.29059	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	360.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77142	3.2
53.03931	6.6
55.01864	7.5
55.05509	48.7
57.03431	8.7
59.04990	12.9
67.05506	95.8
67.05873	4.6
68.10664	3.1
69.03416	11.4
69.07067	83.6
71.04993	82.5
73.02890	4.6
73.06542	6.8
76.28089	3.0
79.05492	89.7
81.03412	14.8
81.07056	73.7
83.05004	8.0
83.08622	30.6
85.02901	6.2
85.06538	8.8
91.05476	44.1
93.07046	84.5
95.04949	19.7
95.08601	44.2
97.06522	54.9
97.10175	41.9
99.08070	4.2
105.07025	38.4
107.04971	10.6
107.08588	69.8
109.06512	12.8
109.10157	55.6
111.08070	6.4
115.07576	24.1
116.33517	2.8
117.07004	8.3
118.30047	3.0
119.08597	25.0
121.06493	5.3
121.10140	64.3
123.08085	7.4
123.11716	4.2
125.09640	30.0
129.07063	4.4
131.07076	6.0
131.08569	16.7
133.10146	22.4
135.08110	4.4
135.11639	5.6
137.09615	4.2
143.08537	4.5
145.10114	14.1
147.11693	11.8
149.09624	12.5
153.12738	62.4
155.10632	12.4
157.10056	4.0
159.11708	6.7
161.13335	3.6
163.11165	6.1
163.57471	3.1
171.11656	5.6
173.11751	100.0
173.13167	6.6
175.11172	4.0
189.11217	29.9
194.13060	6.8
227.16428	5.9
257.19040	7.1
275.20035	64.2
293.21130	5.8
360.22870	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	360.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08316	2.4
55.01884	3.0
55.05515	31.3
57.03440	3.7
67.05504	63.2
69.03422	4.1
69.07068	32.2
70.43220	8.5
71.04995	93.0
73.06553	6.1
76.76064	2.6
79.05492	64.8
81.07059	49.1
83.05001	4.7
83.08627	16.9
85.06549	6.8
87.08108	4.0
91.05494	21.5
93.07042	70.4
95.08592	32.7
97.06533	11.6
97.10156	28.2
99.08082	3.3
105.07030	20.8
107.08592	47.3
108.74086	2.5
109.06536	3.7
109.10156	42.9
111.08074	7.7
117.07011	7.6
119.08581	15.6
121.10143	62.7
123.08080	5.6
123.11700	4.7
125.09638	15.4
131.08563	6.1
133.10147	18.2
135.08047	4.4
135.11732	8.1
145.10117	8.6
147.11705	6.5
149.09621	8.0
149.13287	4.0
153.12740	53.3
155.10648	13.3
157.10104	3.3
159.11716	14.6
161.13268	8.0
163.11153	6.0
170.64206	2.7
173.11749	100.0
173.13115	4.5
177.12796	5.8
189.11237	28.4
195.13867	14.1
213.14807	5.1
227.16409	43.7
235.16772	3.4
239.17984	5.5
250.98660	2.6
257.18942	7.2
275.20068	73.2
293.21213	5.3
307.22806	8.2
368.22446	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	360.1501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38876	1.4
55.01875	9.6
56.05019	4.0
56.96560	4.1
57.03439	11.7
61.02935	10.1
62.06091	4.0
63.39599	1.3
69.03079	2.5
69.03433	31.5
70.06588	4.9
70.67087	2.9
70.67410	1.3
71.04986	3.0
72.08132	1.9
73.02923	10.5
81.03410	5.8
83.01329	1.4
84.04519	1.6
84.08144	1.7
85.02907	100.0
87.04471	2.3
91.03951	4.7
97.02896	37.8
98.97586	3.2
99.04456	8.0
101.00894	1.4
101.02375	6.0
109.02888	5.9
115.03952	3.2
116.98629	4.1
117.03980	3.1
119.01920	7.2
127.03921	71.8
131.01846	1.7
134.06062	1.8
134.99658	1.9
135.05022	4.2
137.02988	1.7
143.01871	2.2
143.80273	1.3
144.99846	2.1
145.03497	9.7
145.04964	66.3
146.05254	2.0
146.99657	3.1
147.03897	1.4
152.07034	2.6
155.01906	3.4
157.03439	1.8
161.01219	1.8
161.02963	4.5
163.04515	4.5
163.06023	18.0
165.00662	1.3
167.41415	1.4
171.23604	1.2
172.95253	4.2
173.02962	6.8
175.04486	2.7
177.00699	1.7
177.04134	2.9
180.06616	1.6
180.08653	3.6
183.05051	4.6
185.02975	4.1
187.00937	2.3
187.04427	1.7
189.02359	2.7
190.96277	2.1
190.98671	1.6
191.00381	1.3
198.07455	1.9
203.04115	2.1
211.04578	1.5
213.02443	4.7
215.00577	1.7
221.05217	1.4
237.02864	1.5
245.05063	6.8
248.02972	1.8
251.00485	2.3
251.02718	2.0
255.07034	1.9
257.01501	1.7
264.04944	2.3
264.07571	5.6
268.06363	1.5
277.07764	1.3
289.09027	1.6
300.96304	1.7
301.00403	2.3
305.07135	3.6
361.02032	2.5
361.07205	3.5
361.11310	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07439	2.8
55.01869	6.5
55.42159	3.1
56.96568	4.0
57.03421	5.6
58.99580	3.4
61.02914	5.2
69.03425	13.9
70.06592	3.9
71.04993	6.6
71.58801	5.5
71.59193	4.2
76.02209	15.2
81.03425	5.4
81.07067	6.4
84.08154	5.6
85.02899	46.6
86.00666	4.4
86.09706	7.4
86.99049	4.4
87.25172	3.8
91.05478	7.2
93.07062	20.5
97.02885	13.8
97.06552	4.5
98.97564	6.8
99.04436	5.9
101.00601	4.8
105.07032	15.1
109.02868	6.0
115.30176	3.5
116.98661	9.2
119.08607	13.3
120.08149	4.9
122.02729	100.0
122.03584	7.2
123.08082	7.3
127.03904	24.2
129.10170	4.1
131.08528	3.9
132.01172	5.6
133.10141	57.9
135.08006	7.1
139.07535	15.3
140.07094	5.7
145.04996	23.0
147.04433	9.3
161.09622	35.7
163.03864	4.1
163.06009	12.0
163.07474	6.3
167.08394	4.3
175.11205	17.5
179.10672	62.4
180.06503	6.9
181.08609	19.2
181.09959	5.0
185.50615	3.5
199.10721	9.3
207.08046	4.2
221.11736	52.3
239.12807	44.7
343.12286	10.4
352.71295	3.4
360.10434	5.8
360.14554	28.0
361.14822	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	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80482	0.3
53.03960	0.4
55.01875	0.6
55.05510	0.9
56.05031	0.6
57.03434	0.5
60.04528	0.6
61.02930	0.7
65.03937	0.6
67.05511	1.5
69.03429	2.1
69.07077	0.8
70.06590	2.5
71.04983	0.5
71.60466	0.6
72.08151	1.7
73.02878	0.5
74.06115	0.3
79.05499	1.5
79.81379	0.3
81.03424	1.2
81.07050	2.4
83.05000	0.4
83.08638	0.3
84.04502	11.7
84.08165	0.4
85.02902	4.2
86.09708	4.8
87.10011	0.7
91.03989	0.4
91.05488	0.6
93.07035	0.7
94.06562	0.5
95.04977	1.1
95.08602	3.3
96.04505	1.0
97.02886	5.4
97.06561	0.4
105.07004	1.1
107.08582	1.1
108.08991	0.5
109.06520	0.5
109.10153	0.7
111.04441	0.3
114.05515	0.6
119.08552	0.6
121.02846	2.8
121.10098	0.5
123.08058	4.1
127.03917	0.9
129.10260	0.5
133.02826	2.4
133.10121	0.4
135.04440	2.1
138.05501	6.5
139.05873	0.4
145.04921	1.0
145.10190	0.5
148.07591	0.6
149.02341	100.0
150.02652	1.4
151.07544	2.9
156.06528	0.5
163.03905	69.3
163.07550	1.1
164.04265	1.4
166.08554	0.5
167.03415	2.2
169.08563	1.2
174.07617	1.4
174.08942	0.5
177.00650	0.4
177.14758	0.3
180.08662	0.9
180.13853	0.5
181.04953	39.9
182.05350	0.5
187.09651	1.7
190.04950	0.9
197.11714	0.9
198.12042	1.2
198.14853	1.9
199.08421	0.5
201.12411	0.8
201.14310	0.4
216.20970	0.3
229.13776	0.6
241.10567	0.4
255.11218	0.7
269.12698	0.4
287.13675	0.4
297.08966	0.3
297.12299	0.8
315.13364	2.2
316.14172	0.3
333.07526	0.7
342.14905	0.7
342.18854	0.6
343.09259	0.8
360.16006	7.8
360.24890	2.9
361.06909	1.3
361.14621	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01870	1.8
55.05513	23.6
56.96560	1.8
57.03422	1.8
57.07073	7.8
59.05012	2.8
62.87033	1.3
64.69901	1.2
67.05502	27.9
69.03418	6.5
69.07067	43.9
70.07375	1.8
71.04976	6.3
71.08621	4.4
71.59750	2.0
71.60378	1.4
72.08144	1.7
79.05492	19.2
81.03435	1.8
81.07055	100.0
82.07362	1.6
83.04972	4.6
83.08620	11.6
85.02894	4.9
85.06541	14.3
86.09699	4.4
91.05476	6.9
93.06472	2.4
93.07043	44.9
94.07374	1.5
95.04974	8.4
95.08604	81.1
97.06540	9.2
97.10172	20.8
99.04440	3.3
99.08090	6.9
103.05484	1.6
105.07032	16.4
107.04983	1.7
107.08594	42.8
108.08931	1.5
109.06495	5.5
109.10156	33.6
111.08068	13.7
111.11723	11.0
115.07519	2.5
117.07030	1.5
119.08568	13.5
121.06462	1.9
121.10138	30.5
123.08050	3.8
123.10810	3.1
123.11704	59.0
125.05910	1.5
125.09634	5.5
127.03903	2.7
127.11189	1.9
131.08537	2.3
133.10112	11.4
135.11687	19.2
137.05963	3.5
137.09607	3.0
137.13246	18.8
139.11182	14.2
141.12733	4.2
143.08530	1.6
143.10687	2.9
145.10129	3.6
147.11661	9.4
149.09627	1.9
149.13261	33.8
151.11160	5.1
151.14838	2.3
153.12746	7.6
155.10692	1.4
155.14326	4.6
157.10226	1.8
157.12283	13.3
159.11694	4.5
161.09691	2.4
161.13289	6.6
163.11095	2.6
163.14816	7.0
165.12700	3.5
167.10657	2.4
167.14339	2.2
169.12160	3.3
171.11589	2.0
171.13808	3.4
173.13304	2.9
175.14801	2.8
175.47728	1.7
177.12622	1.7
177.16367	2.2
179.10606	1.8
187.13274	17.3
187.14774	2.3
189.16362	3.2
197.11702	2.5
201.28641	1.4
203.12753	3.1
203.17934	2.2
205.28482	1.4
209.15303	1.8
213.16406	2.5
214.17990	2.9
215.18274	5.9
217.19450	1.5
219.17491	1.9
223.16911	2.1
236.54138	1.6
237.18504	1.8
249.18433	4.0
269.22641	3.1
277.25269	5.2
287.23676	5.9
293.24756	9.5
305.24777	41.1
323.25745	15.9
341.21057	1.5
341.26944	2.0
359.22934	4.4
360.25281	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	359.1699
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
51.21154	0.7
53.85482	0.7
57.03440	1.0
61.02900	0.9
69.03422	2.4
69.07047	1.1
70.65502	2.0
73.02876	0.9
79.05483	1.4
81.03398	0.9
81.07038	1.8
85.02907	10.7
86.09708	3.6
91.05459	2.4
93.07053	4.4
95.08604	2.2
97.02917	3.4
105.07027	5.3
107.08599	27.3
108.08920	0.7
109.02920	1.0
109.10146	2.2
119.08578	5.4
121.06477	1.4
121.10153	4.7
123.08140	0.9
123.11674	0.9
125.09630	0.7
127.03914	1.4
133.10130	15.6
135.11688	0.9
137.05994	1.3
139.07549	0.8
141.61729	0.7
145.04947	1.0
149.09612	2.7
151.07533	1.0
151.11176	7.5
161.09642	4.5
167.10681	12.7
179.10675	15.6
197.11737	100.0
198.12062	2.6
200.13885	1.0
201.12389	0.9
228.13393	0.9
319.02045	0.8
359.16815	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12848	2.2
55.01884	4.2
55.05516	17.5
57.07068	6.9
58.06496	2.3
61.48265	2.1
62.08049	2.0
65.03928	3.0
67.05514	29.8
69.03429	15.0
69.07074	33.6
69.51491	4.1
69.51899	15.5
70.06595	3.2
71.04978	5.9
78.78516	1.9
79.05502	19.5
81.03418	5.4
81.07063	100.0
81.17383	2.2
82.07351	2.4
83.04972	10.8
83.08624	9.7
84.08157	3.8
85.02917	10.3
85.06543	14.1
86.09719	38.4
87.04461	3.1
87.10052	16.2
87.32061	2.2
91.05482	16.2
93.07050	46.6
95.04983	14.5
95.08610	46.7
97.02914	12.4
97.06506	11.0
97.10176	5.6
99.04469	3.5
99.08089	8.6
101.05989	2.7
105.07043	21.2
107.04951	3.0
107.08602	42.6
109.02843	2.4
109.06512	11.6
109.09450	4.7
109.10158	58.6
111.08081	15.1
111.11761	4.4
113.06010	3.7
113.66293	2.4
115.03896	4.8
117.07046	4.0
119.08596	22.7
121.06511	4.6
121.10149	37.5
123.08101	4.8
123.11710	55.7
125.09617	6.3
126.41776	2.1
127.03934	3.3
127.11213	2.9
131.08543	6.0
133.10117	16.2
135.08047	5.6
135.11684	24.1
137.05968	7.7
137.09642	3.6
137.13271	6.3
139.11195	9.1
143.08525	2.9
145.10146	9.1
147.07967	2.4
147.11662	10.2
149.09641	3.6
149.13330	10.9
151.07573	2.6
151.11197	7.1
153.12759	8.9
155.10826	2.3
157.10155	3.3
159.11705	7.8
161.13260	5.3
163.11185	10.3
163.14804	3.0
165.12842	4.1
167.10663	3.0
169.12276	3.9
171.11674	4.1
173.13293	6.0
175.14865	3.1
181.05016	3.9
181.12248	8.8
183.13838	3.0
187.13277	6.3
187.14801	3.7
197.11687	5.1
199.18086	7.8
200.18396	10.6
213.16481	3.7
227.12831	5.3
227.17615	4.2
228.17841	8.3
229.54453	2.3
234.99153	3.0
237.09029	3.0
241.08656	3.0
253.18025	3.6
258.11545	2.8
269.08038	2.7
269.22775	3.5
270.08517	2.5
275.23563	4.1
283.09595	2.3
287.23709	8.1
293.24640	6.4
305.24796	25.1
313.10745	15.6
313.14334	9.7
323.25818	9.9
327.12259	5.9
331.15604	3.3
341.13843	11.0
342.14066	2.7
359.14954	20.8
359.20432	3.8
360.15271	4.2
360.23886	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.4
55.01859	2.7
55.05516	1.7
56.05006	1.5
56.96561	2.5
57.03428	3.0
58.15800	1.3
59.05005	1.9
61.02924	2.4
62.13409	1.3
67.05508	3.1
69.03423	10.9
69.07040	3.0
70.06592	11.4
71.04961	2.0
71.58080	1.8
72.08142	3.6
73.02923	2.3
79.05480	2.7
81.03415	4.9
81.07049	4.4
84.04494	1.6
84.08140	6.6
85.02899	32.1
85.06564	1.6
86.09706	13.1
87.04425	1.6
87.05574	1.5
91.03951	2.7
91.05488	3.3
93.07058	6.1
95.04961	3.8
95.08620	2.3
97.02895	9.4
98.97562	2.6
99.04445	1.7
99.08112	2.2
105.01882	1.4
105.07024	7.2
107.08582	18.6
107.56631	1.4
109.02888	5.5
109.06531	2.2
109.10115	2.6
116.07082	1.6
116.98611	2.2
117.09142	1.8
119.04967	1.2
119.08573	2.7
121.06512	3.1
121.10148	1.5
123.11663	2.5
127.03939	10.3
129.10248	4.1
133.10135	17.0
135.08069	1.5
135.11690	13.6
137.05991	2.1
137.09605	2.4
141.10228	1.4
145.04990	7.5
151.11163	1.4
159.03030	1.5
159.09099	1.7
161.09636	10.1
166.08698	1.5
179.10663	32.5
179.12187	2.2
191.05942	2.0
196.08586	1.7
197.11729	100.0
198.06451	1.8
198.12134	2.4
200.14005	1.7
228.13538	3.3
237.02826	1.5
246.14574	1.9
255.11298	1.5
277.11316	2.1
277.61441	6.4
319.46765	1.5
358.63986	1.8
359.13300	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	359.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.01867	0.8
55.05513	0.5
57.03444	1.2
59.04994	0.4
61.02927	2.0
62.85477	0.2
67.05510	0.6
69.03429	3.0
69.07069	0.5
70.06602	0.3
71.12263	0.4
73.02925	0.7
79.05486	1.5
81.03416	1.1
81.07055	1.8
83.04968	0.2
85.02907	8.9
85.03432	0.4
86.09698	2.4
87.04475	0.4
91.03941	0.3
91.05483	2.7
93.07037	4.8
95.04975	0.6
95.08601	1.8
97.02906	2.5
97.06531	0.4
98.97602	0.4
99.04463	0.5
103.05458	0.2
105.07035	5.4
107.08598	27.7
108.08928	0.8
109.02865	0.7
109.06516	0.9
109.10165	1.5
117.07006	0.3
119.04942	0.3
119.08581	4.4
121.06521	0.7
121.10145	5.6
122.10468	0.3
123.08028	0.4
123.11712	1.0
125.06025	0.2
125.09641	0.5
127.03922	1.6
131.08551	1.0
133.06470	0.3
133.10132	16.1
134.10477	0.6
135.08060	0.4
135.11696	0.8
137.05984	1.1
137.09608	0.6
139.07559	1.5
141.10179	0.3
143.08536	0.7
145.04985	0.9
146.07278	0.2
147.11723	0.3
149.09607	3.5
150.52348	0.2
151.03947	0.4
151.07574	0.8
151.09941	0.4
151.11182	7.4
155.11827	0.3
161.08302	0.3
161.09631	4.9
162.09949	0.5
163.07524	0.3
167.10681	12.4
168.11017	0.5
175.91318	0.3
179.10678	16.2
179.14082	0.4
180.10971	0.7
183.11279	0.3
185.04269	0.3
197.11736	100.0
198.12071	3.1
200.13976	1.4
213.05731	0.2
220.15050	0.2
228.13510	0.4
234.50554	0.2
265.73404	0.2
313.14413	0.5
359.17010	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	359.1701
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
52.30162	1.1
53.03929	1.6
55.01873	2.8
55.05511	5.4
56.05031	1.4
56.96568	3.1
57.03431	2.2
59.05000	1.4
61.02923	3.6
67.05513	3.1
69.03431	16.5
69.07080	4.0
70.06589	8.2
71.05007	2.4
71.60072	1.0
71.86789	1.1
72.08154	73.7
73.02915	2.5
79.05504	3.6
81.03416	4.9
81.07056	3.2
84.04498	2.4
84.08147	7.0
85.02905	35.4
85.06552	1.3
86.06039	1.5
86.09703	26.2
87.04472	1.8
87.96195	1.1
91.03950	1.7
91.05460	6.4
93.07018	6.3
95.04957	5.5
95.08616	4.4
96.04508	1.2
97.02896	10.7
97.06538	2.5
98.97588	2.7
99.04460	2.7
101.07157	2.9
102.05544	1.6
103.05473	4.5
105.07021	9.3
107.04986	2.2
107.08596	50.7
109.02882	3.4
109.06513	3.8
109.10177	10.7
116.98650	4.3
119.04962	1.8
119.08594	5.1
121.06540	3.4
121.10143	2.7
123.11733	1.2
125.06046	1.3
127.03929	8.5
129.06693	1.8
129.10240	11.6
129.34279	1.1
130.06487	1.7
131.04935	10.4
132.10237	2.1
133.10127	21.8
134.99664	1.7
135.11703	10.0
137.05980	12.3
137.09604	7.0
143.11761	6.3
145.04947	7.5
151.03894	1.9
151.11209	6.1
157.07671	1.5
157.09741	4.0
158.99678	1.6
161.06038	1.4
161.09619	8.9
163.07555	3.7
167.07060	3.4
171.11337	3.3
175.07574	3.0
179.10661	26.0
183.11353	1.8
187.07603	3.6
189.12416	2.7
190.04893	1.5
191.08516	1.4
197.07936	6.8
197.11723	100.0
198.12085	3.5
200.13976	1.6
201.12277	1.5
203.13890	6.1
215.05878	3.2
219.01985	1.3
219.08226	1.5
227.07205	1.3
228.13467	5.1
229.11813	1.5
231.17165	3.1
233.06784	2.0
251.10484	1.3
256.16595	2.4
265.08673	1.8
279.10123	2.8
297.11252	1.8
311.12790	3.7
341.13919	2.5
350.67142	1.3
359.02713	1.2
359.10654	4.0
359.12552	6.2
359.16824	23.1
359.23590	1.7
360.16953	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69831	1.4
53.03948	1.8
55.01860	2.8
56.96571	2.3
59.04986	1.3
61.02915	5.1
62.11530	1.3
67.05488	5.0
69.03432	11.1
69.07076	1.5
70.06593	4.0
71.05000	2.3
71.59289	2.3
72.08145	3.6
72.60116	1.5
73.02914	1.7
74.06079	1.9
77.23234	1.3
78.24905	1.3
78.25995	1.3
79.05481	4.1
81.03404	5.1
81.07047	3.1
83.04977	1.8
84.08136	3.1
85.02906	35.8
85.06536	1.5
86.09702	12.6
91.03934	2.7
91.05463	5.5
93.07040	6.3
95.04975	3.1
95.08604	4.5
97.02889	10.5
99.04432	3.2
103.05453	5.2
105.07023	8.9
107.08595	41.3
109.02888	2.1
109.06492	3.2
109.10174	6.9
111.08063	1.8
117.06991	2.2
119.04907	2.4
119.08572	2.9
121.06492	3.0
121.10123	3.1
122.03653	1.7
123.04391	1.7
123.11726	1.4
127.03862	7.2
129.07001	2.4
129.10220	1.9
131.04929	6.7
132.10219	1.6
133.10133	23.2
135.11707	12.7
137.05984	36.1
137.09608	7.0
145.04962	8.3
147.04378	3.1
149.05836	1.6
151.03888	4.9
151.11172	5.3
153.05438	3.0
160.05153	3.8
161.09613	6.5
163.07585	4.1
167.10728	1.7
172.05307	1.4
175.07538	19.2
177.09103	1.5
179.07024	4.1
179.10683	26.6
179.12224	2.8
187.07553	20.4
189.09142	6.5
189.12277	2.7
197.11734	100.0
203.08589	2.5
217.08652	4.1
219.08250	2.1
219.10243	2.3
225.08009	3.7
227.07036	3.8
231.07919	2.8
232.08847	1.4
234.86519	1.5
243.09007	1.3
247.07431	2.1
248.08372	1.6
251.10670	2.4
251.22296	1.5
255.06563	2.8
255.09044	5.8
263.10629	3.4
270.08823	7.8
271.09592	1.8
273.10083	1.9
279.10263	2.9
283.08926	1.6
291.09988	8.5
301.09579	3.8
311.12735	7.0
323.12817	9.8
341.13995	8.1
359.11725	4.3
359.16534	10.3
359.23795	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	359.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69831	1.4
53.03948	1.8
55.01860	2.8
56.96571	2.3
59.04986	1.3
61.02915	5.1
62.11530	1.3
67.05488	5.0
69.03432	11.1
69.07076	1.5
70.06593	4.0
71.05000	2.3
71.59289	2.3
72.08145	3.6
72.60116	1.5
73.02914	1.7
74.06079	1.9
77.23234	1.3
78.24905	1.3
78.25995	1.3
79.05481	4.1
81.03404	5.1
81.07047	3.1
83.04977	1.8
84.08136	3.1
85.02906	35.8
85.06536	1.5
86.09702	12.6
91.03934	2.7
91.05463	5.5
93.07040	6.3
95.04975	3.1
95.08604	4.5
97.02889	10.5
99.04432	3.2
103.05453	5.2
105.07023	8.9
107.08595	41.3
109.02888	2.1
109.06492	3.2
109.10174	6.9
111.08063	1.8
117.06991	2.2
119.04907	2.4
119.08572	2.9
121.06492	3.0
121.10123	3.1
122.03653	1.7
123.04391	1.7
123.11726	1.4
127.03862	7.2
129.07001	2.4
129.10220	1.9
131.04929	6.7
132.10219	1.6
133.10133	23.2
135.11707	12.7
137.05984	36.1
137.09608	7.0
145.04962	8.3
147.04378	3.1
149.05836	1.6
151.03888	4.9
151.11172	5.3
153.05438	3.0
160.05153	3.8
161.09613	6.5
163.07585	4.1
167.10728	1.7
172.05307	1.4
175.07538	19.2
177.09103	1.5
179.07024	4.1
179.10683	26.6
179.12224	2.8
187.07553	20.4
189.09142	6.5
189.12277	2.7
197.11734	100.0
203.08589	2.5
217.08652	4.1
219.08250	2.1
219.10243	2.3
225.08009	3.7
227.07036	3.8
231.07919	2.8
232.08847	1.4
234.86519	1.5
243.09007	1.3
247.07431	2.1
248.08372	1.6
251.10670	2.4
251.22296	1.5
255.06563	2.8
255.09044	5.8
263.10629	3.4
270.08823	7.8
271.09592	1.8
273.10083	1.9
279.10263	2.9
283.08926	1.6
291.09988	8.5
301.09579	3.8
311.12735	7.0
323.12817	9.8
341.13995	8.1
359.11725	4.3
359.16534	10.3
359.23795	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	359.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.9
56.05045	4.1
56.94706	2.5
56.96558	8.2
57.03437	3.8
65.24741	2.2
67.05502	4.3
69.03434	13.0
69.07054	5.6
70.06591	8.1
71.04992	2.7
71.60155	4.6
72.07799	4.0
72.08157	47.5
73.02925	3.1
81.03419	4.8
81.07054	3.2
83.05001	4.2
83.06108	33.5
84.04510	32.7
84.08144	6.8
84.18799	2.2
85.02908	24.7
86.09709	62.5
91.05483	4.3
93.07059	3.1
95.04984	3.9
95.08599	3.4
97.02891	6.3
98.97582	8.1
101.07135	5.2
107.08621	3.9
109.02884	2.9
109.06501	2.5
111.04420	2.8
116.07109	3.4
116.98609	3.4
118.08636	19.3
121.06527	2.4
123.08055	4.9
125.06020	5.2
127.03922	6.9
128.98694	2.8
129.06616	5.6
129.10260	4.9
131.04926	5.6
132.10223	19.0
133.10150	3.2
134.99661	3.4
135.07971	3.3
137.05995	16.2
138.09119	7.2
141.06584	2.3
145.04936	3.9
146.99623	3.3
147.04387	2.6
151.03912	11.0
152.10703	2.8
152.82945	2.0
155.11728	2.3
163.03830	2.7
163.07538	4.1
175.07553	6.9
179.07005	3.1
179.10609	4.9
179.14259	3.5
182.12875	13.8
183.11276	16.4
187.07529	6.6
189.04358	5.7
189.12405	3.0
196.14516	12.0
197.08112	16.2
197.13094	13.4
197.15468	2.9
200.13945	6.8
207.05342	5.4
208.54843	2.6
210.12328	7.6
211.10866	3.8
214.15457	5.2
219.01772	4.3
224.14044	5.4
225.71234	2.2
228.13470	5.2
237.02884	10.4
242.15021	6.9
311.12473	2.6
323.12628	3.0
341.21808	26.8
352.34604	3.3
359.10889	100.0
359.16699	38.8
360.11160	5.9
367.02945	3.2
369.21823	2.4
377.10989	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	357.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90612	0.3
55.05514	1.6
56.05038	1.5
56.96562	1.1
57.07087	2.1
67.05510	2.7
69.03416	0.7
69.07076	1.6
69.85582	1.7
69.86007	0.7
70.96288	0.4
71.08633	1.7
79.05523	1.0
81.07059	3.2
83.08621	1.0
84.08146	100.0
85.08482	1.8
91.05486	0.9
93.07042	1.2
95.04973	0.7
95.08604	1.9
97.02895	0.7
97.10174	1.0
98.21439	0.8
98.97620	0.5
105.07048	1.4
107.08605	0.9
109.10179	1.0
119.08607	0.8
121.10168	0.6
123.08078	1.2
125.09657	0.9
129.10254	1.9
130.08646	9.5
133.10130	0.9
135.11728	0.7
141.31714	0.4
145.10139	0.4
147.08061	0.4
147.11290	3.9
149.01237	0.9
156.03615	0.7
159.11717	0.4
161.13298	0.4
189.11324	0.5
211.16522	0.4
267.52826	0.4
273.18604	0.6
285.10226	0.4
291.19598	1.6
294.27939	11.2
295.28256	0.4
311.30566	1.1
312.14203	0.6
357.16431	0.4
357.20111	2.0
357.31146	24.7
358.16531	5.8
358.20819	0.9
358.31619	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	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07248	2.4
53.03955	3.2
55.01879	3.8
55.05514	36.8
56.96570	13.7
57.03432	6.0
57.07066	10.1
59.04996	4.7
61.02914	8.5
67.05511	35.3
69.03445	14.3
69.07068	72.5
71.04983	7.3
71.61044	4.5
72.08145	5.3
73.02909	8.6
79.05498	22.7
81.03413	16.2
81.06577	5.3
81.07058	100.0
83.04990	13.0
83.08630	17.5
85.02925	14.5
85.06528	13.8
86.09737	4.4
91.03955	10.6
91.05468	17.2
93.07050	43.4
95.04977	24.5
95.08607	67.1
97.02892	10.0
97.06527	26.1
97.10177	54.0
98.97605	3.4
99.04446	4.3
99.08090	10.2
101.05991	3.5
105.07039	27.5
107.04929	3.5
107.08591	35.0
109.02855	4.1
109.06498	17.0
109.10172	34.0
111.04428	3.8
111.08076	21.6
111.11710	17.6
116.98626	2.6
119.08578	17.5
120.42162	3.1
121.06483	4.2
121.10154	32.5
123.08108	4.1
123.10825	4.7
123.11710	62.7
125.09631	6.7
127.03920	3.0
129.06972	4.2
131.08591	10.5
133.10130	16.4
135.11703	21.2
137.06006	4.2
137.09595	5.3
137.13260	7.8
138.63600	2.7
139.11180	36.5
141.12788	3.3
143.08601	2.8
145.04988	3.0
145.10112	14.8
147.11705	21.0
149.09627	8.0
149.13293	5.8
150.09190	4.2
151.11188	4.7
153.12782	15.7
157.10165	7.4
157.12199	33.7
159.11710	10.0
161.13255	8.3
163.11214	9.5
165.12784	10.5
173.09648	4.2
173.13194	3.9
177.12668	4.0
179.10594	2.7
185.11629	3.7
187.13316	3.3
191.10648	2.9
193.12253	4.6
201.16158	3.0
203.06004	3.8
203.12782	10.2
211.13243	10.4
233.15338	5.5
242.08435	2.9
243.10695	3.9
251.11261	3.8
251.16409	9.2
267.08713	15.8
269.12402	18.4
270.12473	5.1
275.23764	8.9
285.09967	39.7
285.17020	4.0
286.10464	6.7
291.23224	8.7
301.09827	4.3
303.11075	5.8
303.23212	35.4
308.11743	9.4
309.24356	6.7
321.24225	49.8
322.24438	3.3
339.25479	14.2
357.15967	9.0
357.24295	4.3
368.33813	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	357.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35484	3.5
55.01858	6.0
55.05519	33.6
56.96563	4.1
57.03442	4.8
57.07063	12.2
59.05012	4.2
67.05502	33.4
69.03448	23.0
69.07074	62.6
70.34464	3.8
70.93433	11.2
71.04983	8.2
73.02868	4.5
76.16031	3.5
79.05488	22.9
81.03413	9.8
81.07059	100.0
83.04985	10.7
83.08611	11.4
85.02909	20.3
85.06540	15.8
91.03983	5.9
91.05463	21.4
93.07046	35.4
95.04960	13.8
95.08613	67.7
97.02901	9.7
97.06522	24.7
97.10175	38.4
99.04446	6.6
99.08096	11.4
105.07037	26.6
107.04984	5.4
107.08593	45.2
109.06504	14.6
109.10163	40.8
111.08079	17.6
111.11726	13.7
117.07014	5.7
117.84773	4.0
119.08576	23.0
121.06534	4.7
121.10128	35.6
123.08082	6.5
123.11710	51.0
125.09618	9.4
131.08588	8.7
133.06435	4.4
133.10144	21.0
135.08063	8.7
135.11687	19.0
137.06017	4.2
137.09624	14.3
139.11189	38.9
145.10117	9.9
147.11705	21.5
149.09650	9.5
149.13287	8.5
151.11203	9.5
153.12761	15.0
157.10110	6.5
157.12250	28.4
159.11697	14.6
160.76054	4.1
161.09726	5.3
161.13260	8.8
163.11125	4.9
163.14912	5.4
165.09125	13.1
165.12798	7.4
173.13295	6.4
175.11086	5.7
175.14780	5.3
177.00621	5.2
177.12711	8.8
187.13261	4.6
193.12186	4.7
203.12744	9.8
213.16331	4.0
269.12344	11.9
275.23660	8.4
283.77856	3.7
285.10046	8.3
291.23035	14.6
303.23230	38.1
321.24301	61.6
339.25369	20.0
357.13394	7.5
357.24152	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	357.2634
Annotation	Ligantrol
Peak:m/z	Relative Intensity
55.01863	4.1
55.05512	51.4
57.03419	3.1
57.07075	7.1
59.04990	3.2
64.79881	2.8
67.05503	22.3
69.03424	10.9
69.07066	52.8
69.50238	22.7
71.04993	7.4
72.08181	3.4
73.02925	3.0
79.05490	9.5
81.07051	74.9
83.04990	4.8
83.08605	14.2
85.06541	10.7
86.06068	35.3
86.09705	3.0
87.08089	3.2
89.44643	2.6
91.05478	8.7
92.41737	2.7
93.07037	32.0
95.04972	7.8
95.08601	73.0
97.06537	11.9
97.10168	100.0
98.20748	5.1
99.08097	7.1
105.07032	18.7
107.08583	27.8
109.06519	8.2
109.10153	41.0
111.08092	12.1
111.11719	16.4
117.07021	3.3
119.08595	16.8
121.06535	3.9
121.10139	23.5
123.08021	4.8
123.11703	36.0
125.09604	18.6
131.08591	5.1
133.10112	10.6
135.08047	5.9
135.11703	16.7
137.09619	9.8
137.13255	9.3
139.11179	18.3
141.09114	3.2
143.06981	3.5
143.10681	30.6
145.10136	7.4
147.11684	12.6
149.09634	3.1
149.13243	9.2
151.11194	12.7
151.14888	4.2
153.12732	18.4
157.12247	9.7
159.08098	3.2
159.11694	7.8
161.13225	6.7
163.11172	3.4
165.09143	7.1
165.12729	4.7
169.12338	4.9
171.10190	4.0
173.13310	4.5
179.10695	7.0
189.11198	7.1
189.16403	3.7
247.19556	3.2
251.16457	3.6
257.22739	4.9
270.96567	2.9
275.23575	4.3
285.21896	4.0
291.23044	4.0
303.23215	25.9
309.24323	4.3
321.24222	62.3
322.24612	3.1
339.25235	28.7
357.18829	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2636
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03934	3.3
55.01875	2.5
55.05512	41.2
56.96567	6.2
57.03428	2.8
57.07058	2.6
61.02918	4.9
67.05508	13.9
69.03408	3.6
69.07066	22.0
69.52648	2.4
69.53057	8.1
71.04992	3.7
73.02919	1.7
79.05479	8.3
81.03408	6.3
81.07054	33.7
83.04988	3.7
83.08626	6.0
85.02902	7.2
85.06529	3.4
87.08083	1.8
91.03928	2.2
91.05472	5.1
93.07054	12.2
95.04987	6.7
95.08609	43.8
97.02878	5.6
97.06528	6.2
97.10170	100.0
98.10506	2.3
98.20810	2.7
98.97510	1.5
99.04443	1.9
99.08115	2.1
104.92901	1.2
105.07027	11.5
107.04932	1.6
107.08591	13.3
109.02889	1.6
109.06538	2.7
109.10149	19.6
111.04510	1.4
111.08090	3.1
111.11678	2.3
115.05445	1.5
116.98582	1.6
119.08570	8.1
121.06544	1.5
121.10140	11.2
123.08040	3.9
123.11702	11.7
125.09630	18.4
127.03941	2.1
129.07080	1.8
131.08559	3.7
133.10132	7.1
135.08115	2.1
135.11722	6.1
137.05974	4.8
137.09654	2.9
137.13225	3.7
139.11191	5.1
141.07077	1.4
143.10675	42.9
145.10107	4.0
146.99658	1.3
147.11685	5.8
149.01291	1.4
149.09570	1.7
149.13260	5.3
151.07422	1.6
151.11160	3.0
151.14812	5.5
153.12784	1.5
157.10115	2.5
157.12225	2.8
157.54175	1.1
159.11714	4.1
161.13289	4.4
162.05501	1.5
163.11215	2.5
163.14795	1.7
165.09106	1.4
165.12770	3.3
167.14169	1.3
169.10228	1.3
170.28580	1.2
171.10152	3.2
173.13257	2.2
175.14783	2.4
177.12849	2.6
187.14799	2.8
189.11256	13.8
189.12813	1.5
193.12242	3.3
197.13214	1.4
207.13927	1.6
211.13199	2.1
221.15121	1.3
229.15840	1.8
257.10446	1.7
267.08780	3.1
269.12332	5.0
275.23697	1.7
277.21698	2.1
283.08606	1.4
285.09930	9.0
286.10614	1.4
303.23190	8.9
309.24179	3.0
314.37650	1.4
321.24216	23.5
322.24319	2.3
326.14911	1.9
339.25412	16.6
348.15662	1.3
357.16684	2.1
357.20529	1.8
357.24307	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	357.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	28.9
57.03423	3.7
57.07074	4.3
67.05501	19.1
69.03418	9.6
69.07065	42.1
69.30594	23.6
71.04974	5.4
77.75126	2.2
79.05491	7.6
81.03400	3.2
81.07053	55.8
82.07436	2.0
83.04984	5.9
83.08607	9.7
85.02920	3.0
85.06533	9.6
86.06071	32.6
91.05470	9.5
93.07043	21.6
95.04959	6.3
95.08602	57.9
95.09171	4.6
97.06531	10.9
97.10162	64.2
99.04459	2.2
99.08067	6.2
101.06009	2.6
105.07030	12.7
107.08585	28.3
109.06518	4.2
109.10161	35.7
111.08087	9.1
111.11703	8.8
114.09093	2.7
119.08570	9.7
121.06478	4.2
121.10133	20.6
123.08051	3.1
123.11712	30.0
123.30724	2.4
125.06002	2.6
125.09606	13.8
128.27785	2.2
131.08542	2.8
133.10132	9.7
135.08044	5.1
135.11682	12.7
137.05981	5.2
137.09602	11.4
137.13234	7.2
139.11176	11.0
143.06996	2.9
143.10675	19.9
145.10066	3.4
147.11667	9.5
149.09615	4.1
149.13246	9.2
150.99336	2.2
151.07588	2.3
151.11200	12.9
151.14833	3.5
153.12746	14.5
157.12276	8.1
159.11667	4.8
161.09691	3.6
161.13297	4.7
163.11218	2.4
165.09120	7.0
165.12758	5.8
167.10612	4.1
173.13208	3.9
175.14842	3.4
179.10678	9.6
179.14160	2.6
187.13287	4.2
189.11232	6.9
191.10757	2.6
195.13652	3.6
225.08986	3.6
273.52649	2.3
275.23639	2.5
285.21994	3.0
291.22809	2.4
293.24799	2.3
303.23221	23.1
309.24301	4.9
321.24225	47.9
339.25195	22.6
357.13806	5.0
357.18835	100.0
358.19077	8.3
358.23303	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	357.2634
Annotation	Ligantrol
Peak:m/z	Relative Intensity
53.03949	4.7
55.01863	5.6
55.05511	47.0
56.96546	3.8
57.03437	5.1
57.07064	7.9
59.04982	3.9
67.05497	35.2
69.03423	16.9
69.07063	59.5
69.51633	30.1
71.04972	7.9
72.08155	6.2
79.05081	2.6
79.05473	21.5
81.07054	100.0
83.04974	8.3
83.08604	19.4
85.02888	8.6
85.06545	20.7
86.06073	3.6
86.09700	13.4
88.34951	2.9
91.05478	16.3
93.06480	4.2
93.07041	47.8
95.04956	20.7
95.08604	85.9
97.02889	4.7
97.06522	17.5
97.10155	72.4
99.04443	4.5
99.08076	13.7
101.06043	8.1
105.07038	30.1
107.08585	46.3
109.02846	4.5
109.06512	7.7
109.10157	52.9
110.16003	3.4
110.48391	3.4
111.08061	7.8
111.11697	13.9
116.10725	5.8
117.07029	4.1
119.08567	30.9
119.22359	3.1
121.00114	3.4
121.06495	6.9
121.10128	44.3
123.08026	7.1
123.11709	46.5
125.06001	4.2
125.09629	18.3
127.11167	5.8
131.08572	8.2
133.10121	19.9
135.04440	3.5
135.08058	4.4
135.11716	23.8
137.06007	15.7
137.09584	16.2
137.13243	13.7
139.07516	3.8
139.11166	25.8
143.10646	24.4
145.04913	4.9
145.10106	15.0
147.04398	6.6
147.08046	4.1
147.11682	14.7
149.09613	7.2
149.13231	13.2
151.07573	3.6
151.11205	5.6
151.14821	3.7
153.09061	4.1
153.12706	13.5
157.10164	5.8
157.12231	14.7
159.11700	9.5
159.91797	3.0
161.13252	13.6
163.03738	4.0
163.11211	5.5
163.14821	5.1
165.09108	9.7
165.12720	11.8
167.10643	6.5
167.14374	3.3
172.03925	16.8
173.09509	3.7
173.13261	5.4
175.11214	5.6
175.14854	5.0
177.12767	3.4
183.13748	4.8
185.16495	3.9
187.14825	5.6
189.11168	4.0
189.16306	3.8
191.03394	42.4
193.12256	4.2
204.06564	28.5
205.15866	4.0
208.31398	3.4
213.15811	3.5
214.17970	3.6
247.17059	4.0
251.16457	5.7
257.22455	4.9
260.14969	6.6
261.22156	3.5
267.21045	4.9
275.23642	7.1
285.22040	11.7
291.23093	8.3
303.23166	44.1
309.24188	6.4
312.41205	3.6
317.16837	7.3
321.24225	57.9
326.17667	3.6
339.25278	16.2
357.09503	10.3
357.13269	6.9
357.19714	3.9
357.24353	5.8
358.23590	10.3
380.74463	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	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01877	2.5
55.05531	1.6
56.96561	1.8
57.03433	7.4
61.02926	2.9
67.05507	1.9
69.03419	4.3
69.07069	2.1
70.06583	3.5
70.65573	3.7
70.65929	2.0
71.04989	2.3
72.08157	1.6
73.02926	2.1
76.02623	1.2
76.48618	1.2
81.03430	2.0
81.07043	3.2
83.04979	1.3
84.04475	3.0
84.08144	2.7
85.02907	18.6
86.09715	8.5
91.03953	1.3
91.05835	2.2
93.06997	1.9
95.08605	25.6
97.02888	5.8
97.06533	1.4
99.09264	1.4
105.07005	1.6
107.08614	1.7
109.02880	2.6
113.09656	18.3
116.98581	1.8
121.06494	1.3
121.10156	1.3
122.06050	2.0
127.03934	3.4
131.10683	100.0
133.02914	2.4
133.10168	1.5
134.03207	1.5
134.99677	1.4
137.06000	2.9
138.34755	1.1
142.01154	1.3
145.05019	3.0
176.10843	1.4
177.11234	14.9
181.04929	2.5
189.09341	1.9
193.04929	11.1
194.05305	17.7
195.06158	2.6
255.09152	2.0
270.97986	1.4
356.13641	1.7
357.10971	1.4
357.15201	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	356.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	0.8
55.05505	0.8
56.38184	0.6
57.03440	6.0
57.07067	0.6
58.60198	0.6
59.04983	0.9
60.55930	0.6
61.02928	1.8
62.56853	0.6
64.21902	0.7
67.05492	0.8
67.50874	0.6
69.03435	3.2
70.06573	1.5
70.85144	1.4
70.85477	0.8
71.04993	6.7
71.08630	17.0
72.08125	0.5
73.02888	1.2
79.05476	1.1
81.03403	1.3
81.07051	5.7
83.04980	1.5
85.02905	10.8
85.06570	3.1
86.09690	1.3
87.04456	0.9
91.03929	0.9
91.05454	0.5
93.07030	1.8
97.02879	2.5
99.04486	0.6
99.07479	1.3
99.08096	17.3
107.08556	0.7
108.35766	0.6
109.06509	5.7
115.07558	2.0
117.09131	100.0
118.09478	1.8
119.01965	0.7
127.03921	2.0
127.07553	3.1
133.10097	0.9
135.11665	0.9
137.05991	0.7
141.09106	21.1
145.04948	1.4
145.08598	6.7
147.18906	0.5
149.11772	0.8
159.10161	6.9
177.11227	39.7
187.91856	0.7
188.65717	0.7
188.81633	0.7
200.75697	0.6
212.05835	0.6
246.09343	0.6
278.53329	0.8
294.04904	0.6
327.12259	0.7
356.08032	0.8
356.17841	1.7
357.11627	1.3
378.11649	0.6
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
51.48311	2.0
53.03945	5.4
55.01863	3.7
56.96578	4.0
57.03442	4.8
57.30287	2.4
57.88042	2.1
59.53124	2.0
61.02919	7.2
67.05500	2.9
68.99799	2.2
69.03434	30.3
70.06596	5.9
70.07554	11.1
71.04989	4.0
72.21337	2.3
73.02920	5.9
73.06549	13.5
81.03422	16.0
85.02907	100.0
86.09705	3.8
87.00837	41.2
91.05783	6.0
95.08624	2.7
97.02908	30.9
97.06543	7.4
99.04450	12.2
99.08099	2.5
105.01871	82.0
108.04486	2.6
109.02892	25.3
110.06087	2.5
116.07078	2.4
116.98605	3.2
122.06043	2.2
127.03926	64.7
129.01778	2.4
139.03897	2.9
145.04951	21.7
147.02875	2.7
147.04442	8.1
149.02330	6.9
151.03905	2.4
159.02942	6.1
165.05508	2.8
177.11220	2.5
179.03424	4.8
189.04013	3.3
194.05371	3.0
194.08063	4.2
195.02908	52.7
209.08601	2.1
210.75642	2.1
213.03955	4.7
231.04996	26.7
247.56731	2.4
249.06140	11.4
356.07016	3.2
356.13245	8.7
357.07922	2.4
357.15399	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	355.2841
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05503	32.8
57.07058	18.5
64.59550	8.4
66.90827	7.4
67.05495	85.2
69.07051	43.7
70.67300	16.3
70.67670	15.5
79.05484	18.9
81.03416	9.3
81.07055	100.0
83.08620	32.0
91.05453	18.5
93.07037	37.1
95.08607	80.3
97.10172	23.1
99.08104	7.3
105.07034	22.8
107.08601	24.4
109.10136	56.5
111.11768	6.9
119.08574	24.9
121.10146	38.7
123.11694	32.0
130.50404	7.4
133.10138	24.2
135.11658	9.7
137.13248	12.5
138.12236	7.4
147.11707	15.6
149.13266	19.4
155.48824	7.4
157.10139	7.7
161.13231	20.1
163.14792	10.0
165.16389	8.1
175.13098	9.2
175.14684	13.9
179.17966	10.0
236.13702	7.6
245.22615	68.6
263.23730	73.4
264.24164	7.9
291.56699	8.6
337.27374	36.0
355.28012	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2843
Annotation	1-Linoleoyl-(2S)-glycerol
Peak:m/z	Relative Intensity
50.74438	3.3
55.05508	30.0
56.96548	4.4
57.03433	10.8
57.07069	16.0
67.05502	81.1
69.07064	42.2
69.72346	25.3
71.04988	6.1
71.08631	8.9
79.05485	29.8
81.06580	6.0
81.07057	100.0
82.07400	4.5
83.04956	3.9
83.08613	28.8
84.29516	3.2
85.06525	3.8
91.05403	18.1
92.83747	3.1
93.07049	29.9
95.08604	89.3
97.06522	41.4
97.10165	18.7
102.09126	3.4
105.07034	19.6
107.08595	24.2
109.10158	50.0
111.08081	4.5
111.11749	7.2
114.07330	4.3
117.86115	3.5
119.08597	17.1
121.10137	25.8
123.04444	4.2
123.11687	22.3
133.10127	12.7
135.11688	13.6
137.13260	6.8
147.11676	18.0
149.13258	7.1
151.03972	5.0
151.14818	8.6
157.10170	4.1
161.13258	15.7
163.14809	12.9
165.16435	5.3
175.14824	10.0
179.14322	4.3
179.17938	4.1
189.16345	4.6
193.05034	3.4
193.12215	3.9
219.20972	3.4
221.48666	3.6
245.22621	51.9
263.23706	56.9
311.16849	3.8
315.16232	8.3
323.20169	3.3
333.17245	18.2
337.27383	36.9
351.18335	4.6
355.19247	4.0
355.23999	5.2
355.29279	5.6
355.33939	51.0
356.18918	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	355.2479
Annotation	11,12,15-THETA
Peak:m/z	Relative Intensity
53.03933	4.7
55.01868	8.6
55.05506	45.0
56.96561	5.1
57.03436	4.9
57.07056	9.8
59.05000	5.1
61.02908	2.5
61.52130	2.3
65.03928	2.7
67.05505	41.3
69.03430	20.7
69.07064	65.6
69.34792	15.0
69.35202	8.4
71.01357	3.4
71.04984	26.5
71.08601	3.2
73.02943	3.1
79.05493	45.7
81.03416	11.2
81.06580	5.3
81.07053	100.0
82.07432	2.4
83.04982	14.7
83.08609	14.5
85.02899	9.1
85.06531	9.7
91.05433	26.2
93.07039	65.1
95.04965	39.8
95.08604	75.3
95.11360	2.4
96.56303	2.0
97.02886	12.1
97.06530	49.1
97.09543	3.6
97.10166	66.9
98.06845	3.4
99.04462	15.9
99.08073	3.2
101.06023	5.1
105.07021	43.4
107.04944	5.9
107.08590	87.6
109.02861	3.4
109.06520	20.1
109.10145	66.2
110.10417	2.8
111.04430	5.6
111.08051	11.9
111.11713	9.2
113.09633	2.8
115.05460	2.6
117.07014	8.5
119.04890	2.6
119.08574	34.4
120.09065	2.4
121.06508	13.8
121.10143	62.7
121.11018	3.4
123.04413	3.3
123.08089	12.5
123.11699	34.4
125.06037	5.9
125.09631	28.1
127.03910	4.3
127.07560	3.0
129.06947	3.6
130.07759	3.2
131.08562	12.7
133.06485	5.7
133.10123	31.7
135.08040	64.5
135.11681	30.9
137.05991	5.5
137.09610	24.1
137.13268	7.1
139.11176	20.9
142.07732	2.6
143.08534	7.0
143.10651	12.3
145.06459	4.4
145.10118	28.5
147.08041	6.4
147.11668	15.6
149.09618	9.7
149.13275	11.6
151.07507	5.8
151.11191	6.7
153.09100	37.0
153.12732	12.8
155.08551	3.6
155.10667	7.3
157.06531	3.0
157.10197	5.9
157.12196	10.0
158.07259	4.3
159.11668	23.6
161.01247	2.6
161.05995	2.8
161.09593	5.0
161.13271	6.9
163.06258	3.5
163.07547	34.1
163.11182	15.8
165.09093	11.3
165.12747	8.5
167.10623	5.0
169.08543	5.0
171.10161	10.9
171.11563	4.3
173.09642	12.9
173.11810	2.8
173.13269	6.7
175.11205	5.8
175.14819	5.7
177.12762	6.8
177.16464	3.0
179.10674	5.4
181.08600	32.4
181.12257	15.8
183.10255	2.7
185.09549	3.1
185.13213	3.0
187.11182	8.9
187.13216	4.4
187.14806	3.9
189.11241	3.8
189.12813	2.9
191.14406	4.5
193.04976	2.5
193.12190	5.6
195.13895	2.6
197.09723	3.9
199.07762	4.1
199.09637	29.0
199.11298	3.9
199.13293	4.3
201.16338	5.2
205.12263	5.2
205.15796	3.1
207.13702	2.8
215.10706	10.7
215.17979	3.5
223.07480	2.7
229.15858	3.0
233.11703	6.6
241.08525	3.4
241.12146	2.8
247.17062	2.9
251.12796	3.1
255.20941	3.2
263.23880	2.7
267.13507	3.9
273.22028	9.2
283.20651	5.8
289.21646	5.6
291.23077	12.1
301.21631	25.1
303.08618	3.1
307.22623	6.6
309.24231	7.8
311.12613	7.2
319.22723	36.2
319.26331	4.0
337.14349	3.6
337.23849	31.4
355.06998	3.9
355.11377	5.6
355.15292	30.8
355.24887	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	355.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99197	0.6
53.03942	0.9
55.01859	1.7
55.05521	5.2
56.96549	0.9
57.03428	1.5
57.07070	0.9
61.02929	0.8
65.03920	0.8
67.05501	5.4
68.99813	0.7
69.03429	4.7
69.07063	4.3
70.06591	4.8
71.04996	3.7
71.06905	0.6
71.50364	0.9
72.08150	0.8
78.98936	0.6
79.05491	8.8
81.03400	2.8
81.07052	14.4
82.06568	1.5
83.04987	4.8
83.08607	2.4
84.08134	4.5
85.02915	3.1
85.06538	2.2
86.09698	1.8
91.05410	7.2
93.07041	18.6
95.04963	7.3
95.08612	5.8
97.02872	4.1
97.06532	5.4
98.97544	0.9
99.04441	6.1
99.08072	1.4
100.07607	2.7
100.11269	2.9
105.01892	0.6
105.07027	15.1
107.04984	3.3
107.08588	10.9
109.06493	4.9
109.10158	5.9
111.04446	3.6
111.08076	3.2
112.07580	1.0
113.06033	1.2
115.05471	0.7
116.98549	0.8
117.07016	3.1
118.06821	1.0
119.04951	2.8
119.08574	7.8
121.06482	5.3
121.10123	4.7
123.04431	0.9
123.08059	1.9
123.11713	1.8
125.05988	4.6
125.09634	0.8
126.09081	1.0
127.03936	1.1
127.07476	0.7
128.06194	1.4
128.07108	1.8
129.05423	0.8
129.06998	2.8
129.10219	1.6
130.07803	1.5
130.08653	0.8
131.08549	5.8
133.06490	2.7
133.10114	5.5
135.08044	4.7
135.11699	3.0
137.06013	2.4
137.09618	2.8
139.07516	1.7
139.11217	0.9
140.07054	1.1
141.05489	0.7
141.07019	0.8
143.06972	1.5
143.08543	3.1
144.09329	0.8
145.06468	2.5
145.10114	15.5
147.08029	1.5
147.11674	3.9
149.05995	1.3
149.09570	1.6
149.13304	0.9
151.07558	1.7
151.11259	1.4
153.09160	0.8
155.08684	0.8
155.10689	0.7
157.10054	1.5
159.08011	2.1
159.11710	9.0
161.05925	1.1
161.09657	2.3
161.13255	1.2
163.07510	0.9
163.11206	4.0
169.10132	2.0
171.11635	1.4
173.09627	6.1
173.13063	0.9
175.07504	1.2
175.11241	1.0
175.14734	1.4
177.12733	1.6
182.15399	6.0
186.72304	0.7
187.11189	10.4
189.12744	1.5
191.10696	3.0
191.14407	0.7
193.12215	1.1
195.13641	0.8
197.09637	1.8
201.03751	1.3
203.05290	0.8
203.10712	0.6
205.12218	8.7
205.15912	0.8
206.67729	0.7
209.11765	0.7
210.14903	9.9
215.10684	9.9
223.13277	2.2
225.10234	0.6
227.17624	0.7
228.15962	2.8
233.11745	7.4
251.12791	4.2
253.09737	1.2
269.13904	1.9
281.09113	1.5
293.08191	0.6
293.13876	4.2
301.21732	1.8
309.08575	0.7
309.13528	0.8
310.08572	0.9
319.11761	1.3
319.22632	1.9
337.12805	7.9
337.16742	0.9
337.20648	4.0
355.13995	3.9
355.17310	100.0
356.17578	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	355.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	1.3
55.01858	0.6
55.05505	1.1
56.96566	1.0
67.05513	2.3
69.03454	1.5
69.88639	3.5
73.02908	0.6
73.04758	1.0
79.05501	0.7
81.03421	1.1
81.07092	1.1
82.06578	4.8
85.02905	3.0
86.09721	0.9
91.05832	6.3
93.07039	1.0
95.04948	0.8
97.02901	1.3
98.06048	0.7
98.97596	1.3
105.01865	1.1
109.02863	0.9
110.06044	16.6
114.07362	0.5
116.98613	1.1
117.49519	0.5
119.04972	0.7
122.06010	0.6
126.05514	7.9
127.03910	2.2
128.07050	2.3
132.14546	0.6
134.05931	0.7
134.99660	0.8
136.07584	52.3
137.07912	0.8
138.05505	2.4
140.07054	1.1
141.50531	0.6
145.04907	0.6
152.07059	2.0
156.06497	0.8
164.07069	100.0
165.07370	1.7
182.08134	91.4
183.08415	1.9
193.04968	1.4
204.07631	0.9
216.10196	0.8
219.01656	1.0
219.90678	0.7
230.08064	1.0
237.02802	1.7
241.09669	0.7
256.09662	0.7
259.10748	2.2
263.70871	0.6
268.97861	1.7
283.10913	0.8
285.00992	2.0
301.11938	1.3
302.10193	3.2
303.02090	1.1
319.12872	6.2
320.11096	1.5
337.13870	2.5
338.13293	1.9
355.06848	2.9
355.15112	2.2
356.06897	0.9
363.11966	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
55.01863	1.5
61.02918	0.9
67.05492	3.0
69.03413	2.3
69.07056	3.2
69.75471	5.7
70.06588	1.0
70.07401	1.1
70.22170	0.8
73.04754	2.4
79.05479	1.4
81.03400	1.7
81.07036	0.9
82.06595	6.1
85.02913	7.2
86.09718	0.9
87.04459	0.9
89.86475	0.9
91.05815	11.7
97.02880	2.4
98.06020	0.8
98.97591	1.5
99.04458	1.0
108.08103	1.1
109.02886	1.6
110.06034	16.8
122.06010	1.4
126.05514	6.6
127.03925	1.7
128.07048	1.3
134.23526	0.9
134.99635	1.1
136.07576	53.3
137.07933	1.4
138.05487	2.1
140.07040	1.8
145.05045	0.9
152.07045	2.0
163.33160	0.9
164.07068	100.0
165.05487	1.0
165.07375	2.1
169.23720	0.8
170.08035	1.2
182.08131	91.1
183.08458	1.9
219.01926	1.1
237.02779	2.0
244.46892	0.8
259.10870	1.0
268.97870	3.0
285.01022	4.2
301.11859	1.3
302.10339	1.9
303.01782	1.7
319.12888	4.4
320.11423	1.3
355.06876	5.4
355.14792	1.6
373.07660	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	9.4
53.65718	3.3
54.32475	3.5
54.37142	3.2
55.01851	8.2
55.05512	56.8
56.96563	5.7
57.03431	6.7
57.07076	4.0
65.03939	5.3
65.31924	3.6
67.05504	40.5
69.03432	25.6
69.07063	21.2
70.06584	11.0
71.04990	26.8
71.59135	6.3
71.59515	4.6
72.08139	7.0
75.68603	5.2
79.05065	3.8
79.05490	54.8
81.03415	9.8
81.07054	77.1
83.04980	26.1
83.08617	39.2
84.08125	9.8
85.02898	29.2
85.06528	13.5
86.09683	7.2
91.05441	39.3
93.07042	100.0
95.04968	39.4
95.08605	45.1
97.02888	14.3
97.06532	30.5
98.97579	14.8
99.04450	38.6
99.08095	4.1
101.06006	6.5
103.05452	6.3
105.07033	91.5
106.07397	4.2
107.04955	20.4
107.08594	64.5
109.02840	5.0
109.06512	31.2
109.09427	6.5
109.10144	46.0
111.04433	5.2
111.08079	20.6
112.99159	4.3
113.06023	5.3
115.05460	4.5
116.98615	8.1
117.07005	16.5
119.04941	13.9
119.08584	38.2
121.06516	29.5
121.10134	27.4
123.08067	11.4
123.11687	15.0
125.06030	21.4
125.09641	10.0
127.03912	7.2
128.06229	4.3
128.98605	7.4
129.05473	6.7
129.07002	7.0
130.07761	4.4
131.00169	5.8
131.04938	7.6
131.08575	25.6
133.06476	16.0
133.10103	20.5
135.08017	19.1
135.11702	21.7
136.63866	3.4
137.05986	19.0
137.09633	13.2
139.07547	9.9
139.11179	7.8
141.02309	3.8
141.05484	4.8
141.06979	6.5
143.07053	8.3
143.08548	13.7
144.09358	5.1
145.06482	13.8
145.10120	92.9
146.99661	6.3
147.08023	6.9
147.11685	16.4
149.09644	10.7
151.07544	12.4
151.11191	8.2
153.12804	4.4
155.08583	5.5
155.10663	5.3
157.10159	5.6
158.07350	4.8
158.99692	8.3
159.08031	9.1
159.11697	42.9
161.01241	6.4
161.05914	4.2
161.09627	12.0
161.13220	9.6
163.07683	4.4
163.11180	27.2
164.07108	4.5
169.10104	11.8
170.99683	5.3
171.11665	6.5
173.09621	30.8
177.00638	3.6
177.12775	7.4
179.10732	5.1
185.09584	4.8
185.13167	3.9
187.11191	58.9
189.09235	4.7
189.12794	4.7
191.10657	14.9
197.09578	9.1
203.02367	6.6
205.12265	40.1
209.11766	6.7
215.10695	60.8
219.01744	7.0
220.66875	3.8
223.13281	10.6
224.08078	7.1
233.08670	10.1
233.11711	32.1
237.02789	7.2
245.03423	4.7
251.12712	25.0
269.14050	5.9
293.13879	15.0
301.09610	8.3
301.21539	9.4
305.05588	6.5
319.10632	15.5
319.22641	14.4
337.12872	43.0
337.23865	8.6
355.07806	11.5
355.13669	12.9
355.17380	96.8
355.24347	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02402	2.2
53.03940	5.7
55.01875	4.7
55.05517	12.6
57.03431	4.7
57.07073	3.9
58.65349	2.3
65.03930	2.9
67.05507	29.8
69.03424	8.7
69.07072	22.4
70.36139	2.3
70.76945	7.8
71.01353	2.7
71.04991	18.2
77.03967	2.2
79.05059	3.6
79.05500	53.3
81.03429	5.6
81.07059	80.9
83.04983	11.1
83.08617	6.5
85.02895	3.9
85.06538	11.4
88.88792	2.9
91.05463	42.5
93.07047	100.0
95.04972	28.0
95.08609	52.9
97.02891	7.0
97.06538	23.0
97.10171	10.4
98.97591	3.3
99.04454	31.1
99.08105	2.5
101.06013	4.1
103.05493	4.7
105.07036	78.0
105.51331	2.6
106.07355	2.4
107.04961	10.1
107.08598	53.5
109.02818	2.5
109.06528	21.8
109.10164	35.9
111.04426	4.6
111.08138	10.5
111.11709	2.7
113.06030	5.2
115.05485	2.7
116.98624	2.4
117.07024	20.9
119.04957	12.3
119.08581	43.5
121.06524	17.6
121.10155	21.3
123.08061	10.4
123.11729	18.6
123.64444	2.2
125.05997	23.3
125.09636	7.6
127.04021	2.1
128.06197	2.9
129.07010	11.0
130.07808	10.3
131.04944	3.6
131.08583	31.2
133.06514	3.6
133.10120	27.6
135.08055	18.8
135.11700	13.0
137.05981	18.4
137.09578	14.5
137.13255	6.3
139.07545	10.1
139.11162	5.1
141.07010	4.2
141.09125	2.7
143.08569	13.7
144.09360	10.4
145.02859	2.9
145.06493	9.8
145.10126	94.9
146.10490	2.8
147.08046	5.5
147.11684	13.8
149.05939	5.8
149.09645	4.8
149.13264	6.4
151.07564	6.4
151.11151	6.1
153.12701	3.6
154.07803	4.1
155.08543	4.0
155.10681	4.1
157.10104	7.7
158.07312	6.0
159.08060	9.7
159.11693	88.1
160.12128	3.7
161.09618	12.9
161.13280	8.9
163.07600	7.6
163.11179	4.1
165.09120	10.7
165.12823	3.8
167.08609	2.9
169.10114	12.7
169.12308	2.9
171.11673	4.4
172.08888	4.5
173.09633	23.8
173.13280	2.4
175.07542	3.5
175.11237	3.0
175.14844	5.2
177.12746	9.4
177.16425	5.1
179.10672	5.5
185.13245	3.5
187.07538	2.3
187.09662	4.1
187.11180	66.5
187.12805	4.7
187.14847	3.0
189.09100	2.7
189.12683	4.6
191.10730	5.3
193.12254	4.4
193.15901	2.7
197.09659	10.0
205.12247	62.7
205.15912	5.0
212.08334	3.2
215.10721	34.9
219.52138	2.4
223.13272	5.0
224.75072	2.2
233.11716	26.4
241.12268	5.9
251.12831	13.3
255.21303	2.0
269.13980	2.8
291.23114	3.1
301.21606	7.3
307.22678	3.1
311.12836	6.6
319.22705	10.3
337.12936	20.7
337.20087	3.3
337.23727	15.1
355.07645	3.2
355.15485	19.9
355.25058	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	354.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07051	17.1
69.28215	8.5
70.73591	14.8
70.73923	20.9
71.00105	9.2
72.08268	9.4
81.08108	11.1
86.96951	8.9
92.45800	10.3
96.28211	8.9
106.69829	9.0
109.07629	9.2
130.27792	8.1
286.08435	11.8
354.37332	100.0
356.29025	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	355.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	5.6
55.01862	9.0
55.05509	20.3
57.03437	3.1
57.07080	2.2
59.04979	2.6
65.03931	4.3
65.10175	2.0
65.92262	2.3
67.05505	34.1
69.03425	29.9
69.07063	20.6
70.06583	3.1
70.85339	5.3
71.04987	18.2
71.64355	1.7
73.02898	3.6
76.75810	2.0
79.05011	2.5
79.05489	53.6
81.03419	25.3
81.07056	70.5
83.04985	22.1
83.08619	9.1
85.02880	6.8
85.06523	9.1
86.09686	2.5
91.05455	48.3
91.36765	1.7
93.07040	89.8
94.07371	2.6
95.04977	34.0
95.08600	29.5
97.02905	11.1
97.06528	23.2
97.10152	3.8
99.04450	35.1
99.08067	4.1
101.06007	4.1
103.03870	1.9
103.05442	4.2
105.07025	94.3
107.04938	18.6
107.08592	60.4
109.02874	6.6
109.06522	29.2
109.10146	27.5
111.04416	7.0
111.08079	15.0
113.05994	3.5
115.05459	3.5
115.07588	1.9
117.07013	18.4
119.04940	15.8
119.08569	38.0
120.08093	3.1
121.06509	27.0
121.10136	33.1
123.04395	2.6
123.08050	7.4
123.11697	8.3
125.06010	17.6
125.09630	3.4
127.03905	6.6
127.07555	3.0
128.06207	5.7
129.07005	8.2
130.07777	7.7
131.08569	25.1
133.06497	16.4
133.10135	20.2
135.04434	4.4
135.08061	20.8
135.11702	19.6
137.06009	12.0
137.09674	11.1
139.07529	7.1
139.11211	8.6
141.05443	4.2
141.06998	4.1
141.09091	2.2
143.07060	6.7
143.08545	17.4
144.09297	6.4
145.06508	11.5
145.10117	100.0
146.10489	2.5
147.08046	7.2
147.11673	17.8
149.05939	5.0
149.09595	7.9
151.07518	12.2
151.11127	4.0
153.12770	5.2
154.07753	6.3
155.08507	5.3
155.10619	2.5
157.10123	7.8
158.07304	6.0
159.08017	8.7
159.11685	47.6
161.09642	8.9
161.13258	6.8
163.07527	3.9
163.11172	41.8
165.09105	7.4
165.12813	2.6
168.01372	2.3
169.10095	17.4
171.08141	3.5
171.11676	5.3
172.08842	3.6
173.09622	37.4
173.13219	5.4
175.07549	2.4
175.11194	7.7
175.14851	8.1
177.09116	2.7
177.12759	8.7
179.08612	2.9
179.10645	2.2
181.12244	5.6
182.07230	3.0
187.09499	3.2
187.11185	64.6
189.09143	2.8
189.12762	3.8
191.10631	22.6
192.84691	2.0
193.12238	11.1
197.09653	14.1
205.12242	53.0
209.11682	11.0
211.13295	8.5
215.10681	55.1
216.10971	2.4
223.13232	11.6
233.11717	35.1
251.12811	25.7
253.09770	3.6
269.13843	5.1
281.09128	3.1
293.13794	13.1
301.21545	8.7
309.08868	3.3
313.61353	1.9
319.22696	8.3
337.12805	33.5
337.16519	3.3
337.23761	6.2
355.13702	12.1
355.17398	17.6
355.24664	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	354.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95586	2.2
56.96561	4.7
57.03436	2.9
58.02314	1.8
59.63878	2.0
60.04538	2.4
61.02933	16.7
62.06079	3.9
69.03440	4.9
69.07063	3.0
70.47101	6.6
71.08630	2.5
73.04733	1.9
79.05490	34.6
80.98202	2.1
85.02876	10.5
88.11253	16.0
91.05830	13.6
91.48882	2.3
93.07041	26.1
95.04977	2.9
95.32066	2.0
97.02884	5.6
97.06534	21.2
98.97554	1.9
109.06516	2.5
110.06054	3.8
116.98620	4.7
119.54128	2.0
120.04365	1.9
121.06499	8.7
125.07104	4.1
127.03908	3.0
128.98575	2.6
133.96855	1.9
135.10797	2.2
136.07584	3.6
139.07536	100.0
151.95308	2.3
157.08606	52.9
159.11383	2.1
164.07066	10.4
174.05469	4.3
175.09669	35.0
177.00743	2.8
182.08127	8.4
192.06479	2.4
219.01747	3.5
237.02837	7.2
285.01065	4.5
291.07278	3.1
303.01920	2.1
309.08591	5.0
337.07681	2.1
354.07452	3.1
355.06940	6.8
355.15079	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	354.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20615	3.8
55.05507	6.0
57.03440	4.5
61.16139	3.4
69.03431	5.2
69.07069	100.0
69.72697	11.7
69.73126	13.4
70.05295	3.1
71.04996	7.8
73.04776	5.4
73.06548	11.2
85.02904	45.6
85.06544	20.5
91.05808	17.5
93.06983	8.3
95.04973	5.6
97.02880	7.6
97.06516	28.1
98.21414	5.0
99.04494	7.4
103.03931	13.0
110.06052	12.0
111.08077	14.8
113.06014	42.2
115.07599	4.7
117.09151	4.3
127.03831	4.4
131.06987	5.8
136.07600	19.5
139.07561	20.0
145.04967	5.5
157.08580	30.8
164.07045	41.4
175.09660	46.7
182.08160	29.0
184.04990	4.5
192.12299	5.5
224.67055	3.4
234.99263	3.5
285.00946	8.2
355.07037	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	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05519	18.5
56.05017	2.9
57.03432	6.0
57.07074	7.1
57.84672	2.7
67.05508	81.5
69.07075	20.2
71.04972	4.3
71.08624	12.0
71.60236	4.7
79.05494	63.3
81.03416	4.3
81.07059	97.6
82.07395	3.4
82.97356	2.6
83.04945	4.1
83.08611	8.5
85.06537	5.9
91.05484	39.4
92.05872	2.9
93.07047	62.2
94.06526	2.6
94.07406	3.2
95.04967	10.3
95.08609	82.4
96.08920	3.7
97.06506	4.9
97.10160	5.7
99.08103	5.8
105.07023	30.7
106.85519	2.7
107.08601	54.1
109.06498	3.8
109.10164	33.8
111.08071	3.2
117.07037	12.7
119.08594	24.4
121.10141	41.4
123.08135	3.9
123.11713	12.5
131.08572	34.6
133.10121	16.1
135.08072	5.6
135.11699	28.2
137.13298	6.2
142.07877	2.8
143.08588	4.1
145.10127	26.8
147.11679	11.8
149.09673	4.7
149.13237	31.4
151.11218	5.7
151.14799	4.3
152.11533	3.3
155.08627	3.2
157.10136	6.5
159.11684	16.2
161.09712	4.4
161.13206	15.0
163.11179	4.6
163.14807	20.1
171.11711	5.4
173.13290	25.7
175.11269	3.1
175.14822	10.8
177.16391	8.6
179.14296	3.9
187.14812	13.1
197.13385	2.9
233.22678	8.5
237.16711	3.1
243.21106	37.1
244.21327	3.8
261.22153	100.0
262.22455	6.6
277.19586	2.8
293.23114	6.5
294.21335	6.5
335.25964	7.3
353.25418	29.9
354.33524	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	354.1182
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.03930	1.8
53.23565	1.4
55.01852	1.5
55.05505	1.8
56.96572	2.0
57.03435	3.2
57.07060	2.0
57.91718	1.3
58.06660	1.6
59.04996	2.4
61.02910	1.9
67.05462	1.6
69.03440	7.6
69.07051	5.8
69.95672	5.5
69.96083	3.0
70.06577	7.0
70.39790	1.7
71.04978	3.2
72.08147	1.8
73.06526	4.5
81.03399	3.2
81.07061	2.9
83.04996	3.0
83.08613	2.7
84.08126	6.0
85.02899	15.4
86.09698	6.3
86.88774	1.6
91.05397	2.8
94.06570	3.3
94.45909	1.4
95.08615	3.7
95.91775	1.5
97.02878	5.7
97.06525	2.5
98.97553	2.4
102.85265	1.4
103.07571	10.5
103.69655	1.4
109.02882	1.6
109.10149	2.2
115.07548	9.2
116.98615	3.5
117.09093	1.5
118.06532	6.7
119.08609	1.9
120.08108	1.6
121.10106	2.8
122.06000	5.6
127.03906	4.5
129.10240	3.3
133.02846	3.1
133.10281	1.6
136.07600	8.0
136.12088	1.9
146.06032	13.4
146.99670	2.1
149.11711	5.7
157.08626	4.9
157.12315	2.1
162.05510	2.5
163.09630	3.3
164.07079	7.5
173.13368	2.2
174.05507	100.0
174.13496	2.6
175.09631	3.9
178.02567	2.9
179.03407	3.1
191.05823	1.9
192.06548	50.8
193.04967	18.7
203.90919	1.5
209.15393	1.7
219.01819	1.9
241.62292	1.5
280.68671	1.5
319.09943	1.7
337.11053	1.9
354.11807	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2688
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64190	5.0
53.03933	5.0
55.05497	19.2
57.03420	8.9
57.07074	8.1
58.27629	4.8
61.10514	4.9
67.05170	6.8
67.05505	91.0
69.07058	14.7
70.80494	11.8
79.05495	47.7
81.07062	100.0
81.40665	5.1
86.59263	4.8
89.06658	4.4
91.05498	27.4
93.07040	68.7
95.04972	8.9
95.08611	69.2
95.44733	5.1
96.08942	5.3
97.06522	17.3
97.10178	6.9
99.08073	9.2
105.07008	24.0
107.08605	47.9
109.10172	41.5
112.95886	5.6
117.07050	13.2
119.08563	20.0
121.10144	37.8
123.08050	8.1
123.11727	13.9
123.98449	5.5
124.72563	5.3
125.09699	5.5
131.08560	19.9
133.10114	15.6
135.07994	6.7
135.11691	30.7
145.10103	23.5
147.11659	15.5
149.13264	22.2
159.11662	12.1
161.13242	12.7
163.14830	13.3
173.13303	14.0
175.78035	5.2
177.16281	9.4
187.14885	7.8
189.29248	5.4
229.07489	8.0
243.21126	26.3
247.08496	6.6
261.22150	91.8
279.23120	7.2
310.74948	5.9
335.25781	15.7
353.21014	21.3
359.95676	5.9
371.13104	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	353.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	16.3
57.03423	6.1
57.07086	7.3
63.74730	3.6
67.05508	61.0
69.07061	15.1
70.84499	7.5
70.84866	7.4
75.80460	4.3
76.27468	3.6
79.05500	31.1
81.07061	82.9
83.08607	6.4
85.06519	3.9
91.05483	18.7
93.07051	48.2
95.08607	58.9
97.06526	7.2
105.07032	16.9
105.68289	3.8
107.08605	36.4
109.10171	32.5
117.07020	5.5
119.08585	16.2
121.10133	25.8
123.11694	18.1
125.09594	4.5
128.65738	4.3
131.08571	15.8
132.70045	4.9
133.10135	12.0
135.11691	26.6
137.13280	5.3
138.23030	3.6
145.10155	12.6
147.11707	9.5
149.13283	16.3
159.11693	12.6
161.13264	10.4
163.14870	14.6
168.48000	4.0
173.13274	17.9
175.14799	4.5
187.14815	10.4
201.16502	4.5
243.21082	26.5
244.21338	6.1
247.08682	6.7
261.22165	100.0
262.22400	11.2
279.23233	4.0
284.29233	3.7
335.25912	8.8
353.26392	22.8
353.79489	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	353.2685
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05506	13.9
57.03432	6.7
57.07076	5.4
58.47725	2.6
67.05502	83.7
69.07059	13.7
69.56354	21.4
71.04979	4.0
71.08637	4.4
79.05495	40.3
81.06578	5.1
81.07055	92.1
83.08629	6.8
91.05489	18.7
93.07038	52.2
95.08604	90.4
97.10136	4.8
105.07024	13.9
107.08575	31.5
109.06482	3.0
109.10145	39.5
117.07018	8.2
119.08564	15.0
121.10133	36.2
123.11703	26.4
129.29366	2.7
129.41972	3.1
131.08545	15.4
133.09204	2.3
133.10101	14.3
135.11697	27.2
137.13223	8.8
145.10127	15.9
147.11682	12.3
149.13257	16.2
159.11678	17.3
161.13284	9.4
163.14825	11.4
173.13235	14.0
175.14772	4.0
177.16388	4.6
187.14845	10.9
201.16409	4.5
226.11838	3.0
233.22595	5.1
243.21042	26.1
261.22116	100.0
262.22348	6.1
279.23206	7.4
300.05588	2.9
335.25967	14.6
353.26776	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.3
53.41767	2.6
54.18354	3.7
55.05510	15.3
57.03425	6.1
57.07066	7.9
67.05508	87.9
69.07061	15.9
69.49496	11.8
69.49918	13.5
71.05000	4.4
79.05499	42.6
81.07063	91.8
82.07378	3.5
83.08611	10.9
91.05490	24.8
93.07051	61.0
95.04960	4.5
95.08609	69.3
97.06544	5.8
97.88773	3.0
99.08071	3.3
105.07022	25.5
107.08601	40.6
109.10160	39.9
111.08056	3.5
117.07011	13.9
119.08592	20.8
121.10146	35.8
123.11732	17.0
125.09653	3.4
131.08583	23.5
133.10136	16.2
135.11725	25.0
137.13258	7.2
139.11165	3.9
145.10139	20.5
147.11713	11.7
149.13268	25.8
157.10153	5.4
159.11684	17.3
161.13240	10.4
163.14816	10.7
173.06360	3.2
173.13278	17.1
175.14865	4.4
177.16391	5.9
187.14832	11.7
191.14331	4.2
201.16380	5.4
231.92163	3.0
233.22708	7.3
243.21112	30.1
247.22838	2.7
261.22180	100.0
262.22522	8.4
272.93915	2.7
335.25809	7.9
353.26978	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2686
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
55.05507	16.7
62.41494	6.5
67.05501	88.3
69.07077	10.0
70.11676	28.5
72.47769	6.5
74.45088	5.7
75.07367	6.0
76.16924	5.7
79.05496	40.4
81.07057	100.0
83.08627	10.4
91.05488	28.5
93.07062	59.5
95.04967	6.3
95.08602	80.6
105.07021	16.9
107.08615	48.5
109.10159	38.2
117.06976	10.8
119.08574	22.9
121.10145	38.0
123.11696	27.2
131.08592	28.3
133.10139	19.1
135.11687	26.0
137.09567	10.3
145.10139	18.2
145.86359	6.7
147.11720	10.1
149.13277	22.1
151.90533	6.4
157.10176	7.1
159.11736	21.5
161.13377	10.8
173.13287	16.3
187.14761	14.3
204.21237	6.8
243.21159	28.4
249.00386	6.9
261.22141	77.4
335.25595	18.9
350.37570	7.5
353.10101	8.4
353.16302	9.8
353.26682	26.5
359.15103	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	353.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06776	1.5
52.08338	1.5
55.01867	2.5
55.05507	8.0
56.96562	3.1
60.04510	1.8
63.24029	1.5
65.69498	1.7
67.05502	16.4
69.03426	2.8
69.07074	9.3
70.62213	6.6
71.04992	18.4
71.13111	1.6
79.05492	14.1
81.03426	3.9
81.07066	21.8
83.04974	2.5
83.08633	4.7
85.02891	2.0
85.06567	4.3
91.05483	20.9
93.07046	28.5
95.04974	43.5
95.08605	14.4
97.06536	4.8
99.08068	2.7
103.05461	2.4
105.07039	33.7
107.04984	1.9
107.08591	34.0
108.33694	1.9
109.06528	12.9
109.10155	11.9
109.89405	1.8
111.08080	3.4
115.05473	2.3
116.06221	2.3
117.07028	12.9
119.08575	33.0
121.06484	5.9
121.10132	21.7
121.10905	2.2
123.08082	8.3
123.11700	13.9
125.08075	1.7
125.09624	2.3
128.06226	12.3
129.06996	5.4
130.07761	2.8
131.08583	25.8
131.24609	1.9
133.10144	29.8
133.11115	3.5
135.08063	28.6
135.11707	27.3
137.09624	6.9
141.07007	2.3
142.07820	9.2
143.08549	25.0
145.10118	21.6
147.08061	8.3
147.11618	11.7
149.05888	3.0
149.09624	14.5
149.13319	3.3
155.08566	7.9
156.09343	5.8
157.10135	30.4
158.10886	3.2
159.08052	9.0
159.11684	16.4
161.09619	61.0
161.13274	7.4
163.07544	2.4
163.11169	6.4
165.06995	4.5
167.08479	4.4
168.09343	2.5
169.10095	14.0
170.10947	3.6
171.11688	18.1
171.57187	1.7
172.12566	2.1
173.09666	8.6
173.13245	14.1
175.11197	6.2
175.14880	3.5
175.19998	1.9
176.11395	1.8
177.12694	3.4
181.10129	4.8
182.10907	2.8
183.11647	9.8
185.13290	15.9
187.11194	6.7
187.14832	9.4
189.12769	4.5
189.16418	5.0
191.14304	1.9
193.10120	3.0
195.11684	10.0
196.12537	2.2
197.13277	15.1
199.14879	4.5
201.12781	6.0
203.14333	5.1
205.15894	6.6
207.11736	5.8
209.13229	9.2
211.14847	5.1
213.12723	17.8
213.16167	3.5
215.14290	14.6
217.15891	3.7
221.13367	4.1
223.14879	5.6
225.16406	5.6
227.14212	3.9
227.17986	4.5
231.13773	3.1
235.14870	3.4
237.16457	4.2
239.14168	2.6
241.15900	2.6
249.16382	3.0
251.17883	4.0
253.19383	2.8
257.19028	2.3
265.19547	6.6
271.20605	4.2
277.19537	6.7
279.17563	3.1
283.08514	3.6
293.22836	7.8
295.20514	17.0
301.09744	3.4
311.23712	6.1
317.22662	4.1
335.23743	24.9
336.24509	1.8
353.24786	100.0
354.24948	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	353.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.5
55.01883	4.8
55.05516	7.4
56.96571	1.0
57.03435	2.0
57.07079	4.4
57.78129	0.8
59.04989	2.9
60.04501	0.9
61.02934	1.4
61.49957	0.7
65.03951	1.3
67.05170	1.1
67.05505	11.9
69.03433	12.2
69.07070	21.5
70.06593	8.0
71.04995	14.7
71.59351	1.3
72.08150	1.7
73.31668	0.8
79.00847	0.8
79.05492	9.4
81.02980	1.1
81.03426	4.6
81.07063	22.8
82.03757	1.4
83.04996	5.4
83.08624	3.3
84.08148	3.0
85.02914	11.1
85.06533	4.3
85.10172	3.8
86.03255	1.1
86.09719	2.3
86.34752	0.9
87.00830	1.0
87.04459	1.1
89.06036	6.9
91.05486	9.5
93.07054	12.9
95.04970	8.4
95.08612	74.2
96.08955	2.2
97.02897	9.4
97.06538	4.3
97.10173	17.3
99.04478	2.3
99.08102	8.4
100.11284	0.9
103.05452	1.6
105.07037	15.5
106.07372	1.3
107.04968	4.0
107.08596	13.5
108.08955	0.8
109.02869	1.7
109.06536	7.8
109.10162	7.5
111.04459	2.5
111.08101	13.9
111.11720	10.0
113.06047	1.3
113.07134	3.1
113.09650	100.0
114.09993	1.5
115.05440	1.9
116.07114	2.9
117.07029	4.3
119.00369	0.7
119.04955	2.5
119.08579	9.7
120.08134	2.2
121.06494	6.0
121.10166	10.4
123.04518	1.4
123.08112	5.0
123.11710	2.2
125.05984	2.2
125.09669	1.4
127.03917	3.8
127.07546	0.9
127.11214	4.0
128.06235	1.6
128.07133	0.8
129.07034	4.6
131.08563	6.5
133.06519	3.8
133.10159	7.3
135.04405	1.1
135.08055	6.5
135.11696	3.5
137.05957	3.8
137.09613	3.0
137.13257	21.6
139.11214	1.4
140.07063	1.1
141.05478	1.7
141.07156	1.4
141.09177	1.3
142.07768	8.6
143.08606	4.0
145.04964	1.1
145.06480	2.7
145.10121	7.6
147.08041	2.2
147.11714	4.9
149.09593	3.8
149.13268	2.4
151.07536	1.8
151.11208	1.9
152.07120	2.2
153.07471	1.0
153.09052	1.2
153.12762	0.9
155.07045	3.1
155.08502	0.8
155.10712	2.1
155.14297	10.2
157.06483	0.8
157.10132	10.9
158.07228	1.4
158.10844	1.2
159.08041	4.0
159.11717	6.4
161.05991	1.9
161.09663	5.7
161.13261	1.5
162.05568	2.3
163.11150	4.8
163.14850	1.8
164.07060	1.0
165.09079	1.2
165.12691	1.1
167.07072	2.0
167.08507	1.7
167.10675	1.3
169.10208	1.3
170.07303	1.5
173.05945	1.4
173.09634	3.6
173.13228	7.1
173.15390	63.6
174.10307	0.9
174.15761	1.8
175.11185	5.5
175.14853	2.2
177.05501	0.9
177.09198	1.1
179.10605	1.0
181.12248	1.2
185.09615	12.3
185.13208	1.9
187.11226	2.5
189.09093	1.3
189.12695	1.2
191.07057	2.6
191.10701	1.8
191.12827	0.8
191.14345	31.7
191.16440	37.8
192.14650	1.9
193.08733	1.5
198.06802	1.1
203.10661	10.2
203.14268	0.9
203.54486	0.8
205.12196	1.3
208.06087	1.6
213.09171	8.8
213.12503	0.9
217.08611	0.9
218.80392	0.8
220.09604	0.9
221.09929	1.2
221.11798	2.9
221.15280	1.1
231.10156	5.8
248.09148	1.0
249.09418	3.4
249.11552	2.0
249.14990	1.3
267.12289	2.0
289.21689	1.6
299.20081	2.9
300.13763	0.9
317.20999	2.6
321.11121	1.4
335.11282	2.2
335.18472	1.0
335.22086	2.7
353.06766	1.9
353.12537	2.9
353.15970	1.9
353.19604	6.0
353.23355	2.6
354.14694	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	353.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	14.1
57.03433	4.6
57.07074	26.8
59.05008	3.4
67.05505	16.4
69.03436	8.2
69.07064	19.9
69.89335	12.3
70.06596	5.4
71.04989	6.0
71.08609	3.0
73.06557	8.1
79.05486	9.0
81.03428	4.3
81.07055	75.1
83.04984	2.7
83.08626	7.2
85.02914	10.9
85.06544	100.0
91.05488	5.5
93.07033	4.8
95.04991	3.9
95.08613	42.0
97.02885	9.2
97.06555	2.4
97.10160	6.7
98.97579	3.2
99.08096	80.7
105.07047	10.0
107.08584	11.6
109.06504	3.3
109.10163	5.5
111.11723	5.3
117.07031	2.9
119.08593	6.7
121.06522	3.5
121.10156	9.4
123.08080	3.3
129.07072	2.7
131.08569	5.1
133.10143	5.0
135.08060	5.8
135.11725	3.9
137.13255	40.9
143.08549	3.0
145.10127	4.7
147.11813	2.9
149.91000	2.7
150.05524	2.5
152.07111	2.9
155.14305	92.9
156.14725	3.3
157.10133	4.6
159.11688	2.9
163.14806	2.8
164.07059	4.3
173.13287	8.7
173.15364	34.2
175.14822	5.6
182.02350	2.5
185.09592	2.7
191.14388	16.1
191.16409	97.4
230.36180	2.2
234.37617	2.6
321.10809	2.9
353.06531	6.4
353.13043	5.8
353.19733	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	353.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	4.6
55.05507	18.0
56.83464	2.9
57.03436	6.4
57.07073	29.7
57.10337	3.2
59.05006	6.2
61.02931	4.8
67.05503	20.3
69.03426	18.8
69.07072	22.9
69.89202	20.4
70.06574	9.1
71.04996	15.4
72.08140	3.2
73.02905	5.7
73.06537	8.5
79.05493	14.6
81.03424	7.6
81.07056	100.0
83.04973	9.2
83.08613	10.7
84.08144	4.6
85.02902	24.7
85.06541	83.2
86.09710	5.8
91.05487	9.7
92.37690	2.9
93.07036	18.8
95.04978	8.4
95.08603	49.7
97.02885	13.7
97.06539	7.4
97.10130	7.6
98.20797	4.5
99.08094	74.4
99.71343	2.8
105.07043	18.5
107.08599	20.1
109.02864	4.1
109.06544	15.2
109.10165	12.0
111.04462	3.4
111.08051	6.6
111.11717	5.7
117.07020	5.2
119.08581	16.0
119.57510	3.2
120.08167	4.0
121.06453	4.8
121.10105	20.1
123.04486	3.3
123.08035	6.6
124.07616	6.7
127.03912	4.8
131.04941	4.2
131.08568	14.4
133.06496	3.8
133.10127	13.8
135.08032	8.6
135.11691	12.0
136.07562	10.2
137.05974	4.5
137.09628	4.6
137.13266	37.3
143.08574	6.5
145.04990	3.5
145.10121	13.1
147.07999	4.4
147.11702	8.9
149.09608	7.6
149.13235	5.0
152.07027	9.0
155.07039	5.7
155.14297	98.3
157.08759	3.0
157.10098	9.1
159.11653	8.8
163.14833	8.1
164.07037	15.9
171.11693	5.3
173.09557	3.3
173.13219	22.5
173.15367	29.9
175.11214	6.5
175.14871	10.3
177.12701	2.8
182.08176	3.3
191.07059	9.3
191.14330	37.1
191.16418	88.8
203.10583	6.5
208.05975	3.1
209.15363	4.8
213.12328	4.1
249.11362	4.0
283.48514	3.3
335.12161	7.8
353.06561	18.7
353.12360	4.7
353.19412	7.4
354.06622	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.6
55.01859	3.9
55.05500	5.4
57.03422	5.9
57.07062	4.6
57.39296	1.5
61.02913	5.1
61.30481	1.6
67.05494	7.9
69.03426	27.5
69.07067	15.6
70.06571	3.8
71.01345	2.5
71.04972	4.3
71.60610	3.0
73.02897	3.6
79.05495	9.3
81.03429	9.4
81.07056	18.1
83.04980	9.8
83.08606	5.7
84.04535	1.8
84.08133	3.7
85.02914	25.6
85.06531	3.5
85.14492	1.7
86.09695	5.7
87.10043	2.1
91.05494	11.5
93.07037	18.1
95.04971	8.8
95.08613	21.5
97.02898	16.9
97.06560	9.2
99.04461	4.2
105.07040	16.3
106.07334	1.7
107.04930	1.8
107.08606	37.7
109.02890	3.5
109.06510	9.4
109.10179	8.0
111.04417	3.0
111.08063	5.5
113.06033	2.7
116.06217	2.1
116.98637	2.0
117.07000	6.3
119.08588	33.3
121.06505	10.5
121.10143	25.6
122.05972	2.5
123.08058	10.1
123.11700	6.8
125.09669	2.1
127.03917	8.9
129.06985	2.8
129.09158	1.7
131.08568	15.6
133.10146	26.0
135.08070	17.6
135.11702	23.2
137.05981	4.4
137.09644	8.4
137.13231	3.4
141.09142	1.7
143.08583	5.5
144.09268	1.8
145.04927	3.4
145.10136	8.0
147.07964	3.5
147.11696	17.5
149.09584	5.5
149.13286	17.3
151.07536	2.2
151.11215	2.3
153.09114	2.9
155.07028	2.4
157.10109	2.4
158.10904	6.9
159.08044	2.5
159.09201	4.1
159.11661	5.1
161.09573	3.3
161.13182	2.7
162.05458	2.8
163.14819	11.5
167.14250	2.1
171.11620	2.2
173.13263	44.4
175.14844	24.2
179.14346	2.4
189.12704	3.7
191.14313	100.0
193.15909	2.2
194.29237	1.9
201.10287	9.4
203.10564	2.3
203.14243	2.4
207.13863	1.6
209.15370	6.3
215.14365	2.7
218.05589	3.7
219.11237	4.2
221.15244	2.6
222.05304	2.0
229.09680	2.2
246.05081	5.7
257.09158	2.7
264.06128	2.1
275.10406	1.8
287.16489	3.8
299.16360	2.0
313.40897	1.9
317.11395	5.2
317.17447	5.6
335.09061	2.4
335.12289	5.5
335.18729	11.4
348.00549	1.7
353.12634	3.1
353.16663	15.7
353.19708	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	353.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.4
55.01857	8.3
55.05512	19.9
57.03446	14.5
57.07069	17.3
59.05004	3.3
61.60083	2.3
65.03947	3.3
67.05507	34.6
69.03078	5.1
69.03433	64.8
69.07069	35.4
69.59283	17.2
70.06606	3.8
71.01369	3.6
71.04993	12.5
71.08622	2.3
72.08136	3.7
73.02893	4.1
79.05502	25.9
81.03426	17.5
81.07059	75.5
83.04987	19.1
83.08620	28.1
85.02908	34.9
85.06542	13.8
89.59507	2.7
90.87296	2.8
91.05484	29.1
93.07050	40.1
95.01266	2.3
95.04968	22.6
95.08611	76.5
97.02891	24.9
97.06530	12.3
97.10182	4.0
99.04482	12.1
99.08076	4.1
101.06001	3.0
103.03933	3.6
105.07022	30.8
107.04960	4.3
107.08595	59.7
109.02841	5.5
109.06514	31.8
109.10168	45.2
109.24474	2.3
110.10471	3.3
111.04430	13.8
111.08091	30.5
113.05975	4.0
113.09638	7.7
115.03942	13.3
117.07005	6.7
119.07800	3.2
119.08586	40.2
121.06530	16.6
121.09316	5.5
121.10148	78.4
121.11031	3.9
121.64062	2.3
123.08080	26.4
123.11719	61.8
125.06010	7.3
125.09639	9.8
127.03904	11.6
127.07598	5.0
129.05461	2.8
129.07060	3.2
129.09126	3.2
130.09406	3.3
131.08586	28.5
133.10135	27.3
135.08078	18.1
135.11703	43.4
137.06023	17.1
137.09583	17.6
137.13271	11.0
139.07515	7.2
139.11176	5.1
142.07820	3.1
143.08582	4.4
145.04955	6.2
145.06526	4.6
145.10132	14.1
146.09523	2.8
147.08063	8.9
147.11673	18.5
149.05928	3.4
149.09599	11.2
149.13258	57.9
151.07544	7.1
151.11172	7.7
153.09079	17.6
155.07013	15.7
155.10645	3.4
155.14294	8.7
156.10971	2.7
157.10086	5.7
159.11627	5.5
161.09639	6.1
161.13272	11.4
163.07536	3.6
163.11157	11.4
163.14824	23.0
165.09093	7.7
165.12714	3.5
167.10692	4.1
167.14368	16.3
169.08618	2.9
171.10254	6.1
171.11671	3.9
173.09647	6.1
173.11774	4.7
173.13245	33.0
174.12106	8.8
175.11150	4.4
175.14851	12.9
177.09267	3.1
177.12712	6.3
179.14287	18.6
181.08624	8.4
187.06070	2.7
189.09146	4.4
189.12769	8.2
191.10672	5.6
191.14343	41.4
191.16173	4.9
197.11729	3.2
203.14340	5.0
207.13823	6.1
209.11642	2.6
209.15376	27.3
215.14252	3.5
221.15315	7.7
233.15213	4.5
249.14922	6.3
251.12862	3.1
267.12280	3.2
275.16446	3.7
293.17178	2.7
317.17642	4.7
335.18481	13.3
353.19614	100.0
354.19565	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	353.1344
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01382	2.3
55.05500	3.3
55.60401	2.3
56.96565	14.4
57.03435	5.3
65.03944	3.5
66.00759	2.2
67.05483	7.6
69.03417	11.8
69.07049	2.3
70.06580	5.9
71.59385	3.8
73.02944	3.1
79.05513	3.1
81.03412	5.0
81.07030	4.6
83.04980	4.3
84.04533	2.3
84.08140	3.1
85.02914	22.2
87.00819	5.0
91.05485	3.2
95.08585	3.5
96.82750	2.6
97.02880	9.1
98.97577	10.1
99.04458	3.7
100.00514	2.2
105.01855	8.6
109.02822	3.1
109.10102	2.4
110.06021	5.2
110.97581	2.3
115.07555	2.3
116.98600	7.5
120.04496	2.5
120.08153	3.1
122.06015	8.1
123.04417	10.4
124.07605	3.5
127.03918	13.0
128.98579	4.0
131.08524	2.4
133.02849	10.4
134.99651	5.3
136.03996	3.5
136.07559	9.4
137.02213	3.9
138.05515	3.9
140.33157	2.1
146.05988	5.9
146.99681	4.2
148.07634	3.1
150.05460	3.9
151.03856	4.7
152.07086	5.8
154.04999	5.8
155.07176	2.4
162.05463	3.1
164.07034	10.8
166.04968	5.2
168.06497	2.9
172.06021	3.4
174.09137	3.4
176.07071	3.6
177.00694	3.3
179.03400	85.9
180.03723	7.7
182.08136	3.5
186.09081	3.3
188.07031	2.9
189.00706	2.5
190.08623	3.0
191.14354	2.4
198.09180	5.8
201.10269	5.1
202.08643	2.8
204.06616	3.6
212.07117	5.9
213.04225	3.2
214.08647	6.4
215.08173	5.7
215.11797	4.9
216.10321	5.6
219.01755	5.2
222.07626	5.8
225.10152	2.7
226.08566	7.5
227.08116	3.2
229.09769	9.5
230.08101	8.5
231.05022	3.2
237.02826	7.8
239.02234	7.4
239.08159	3.3
240.08904	9.4
241.09787	5.1
243.11290	7.1
244.09686	8.7
245.10519	4.2
248.09280	4.3
253.09805	4.2
254.08128	5.6
257.03387	3.8
257.09186	8.3
258.09955	5.9
260.09344	3.2
262.10699	2.8
268.08694	2.8
271.10760	12.1
272.09274	16.5
275.10236	10.3
286.09467	3.1
287.10294	3.4
288.08298	3.0
289.11801	37.4
290.10123	22.2
299.10291	9.7
300.08594	11.7
306.09814	4.0
317.11310	51.5
318.09720	11.3
335.12372	100.0
336.10696	19.0
353.13211	9.7
365.05463	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.4
55.01865	13.0
55.05495	11.6
55.25444	2.4
56.00771	2.6
65.03903	3.8
67.05502	26.3
69.03426	21.7
69.07051	8.6
69.53687	20.5
70.06593	15.0
71.04984	10.7
72.08155	5.1
79.05490	28.6
81.03405	6.6
81.07062	27.1
83.04980	25.6
84.04469	2.6
84.08132	11.5
85.06526	7.7
87.00826	2.8
91.05477	31.2
93.07037	23.9
95.04971	38.1
95.08605	24.8
96.04395	2.5
97.02885	5.3
97.06526	18.8
99.04453	4.7
101.05988	3.6
103.05446	6.6
105.07030	100.0
107.04960	16.4
107.08582	20.7
109.06510	38.9
109.10121	5.8
111.08070	8.8
113.06008	6.3
115.05454	9.8
117.07046	13.3
118.06901	5.3
119.04939	16.7
119.08572	18.5
121.06502	36.8
121.10120	10.8
123.04401	4.0
123.08066	4.9
125.09615	3.1
127.03923	4.1
127.07505	3.2
127.11169	4.4
128.06194	10.4
129.06982	29.1
129.10197	3.8
130.07773	3.5
131.04926	4.6
131.08568	19.3
133.06494	44.0
133.10109	18.7
135.08034	9.4
135.11658	4.4
137.05959	7.2
137.09677	3.4
141.05452	11.7
141.06976	14.4
142.07787	49.3
143.08559	16.1
144.05730	3.7
144.09381	6.3
145.06490	19.1
145.10120	19.2
146.07265	8.9
147.08043	11.2
147.11687	12.9
149.09622	6.2
151.07608	6.4
152.06261	3.9
153.07027	3.9
154.07762	3.8
155.08566	3.7
155.10651	2.7
157.06500	6.3
157.10123	49.9
158.07256	9.1
159.08040	25.9
159.11684	18.1
161.09608	23.6
162.05438	3.4
165.06937	5.0
165.09322	2.6
167.08527	10.4
169.06435	2.8
169.10141	6.7
170.07266	12.2
171.08040	12.2
172.08693	2.8
173.09653	23.5
173.13091	4.3
174.10419	3.1
175.11171	40.2
177.05432	5.9
177.09067	5.8
178.03053	3.1
179.10739	3.1
185.09610	99.9
187.11169	5.7
191.06993	6.2
191.14276	7.3
195.07996	8.2
198.06837	3.5
203.10645	72.4
213.09108	43.4
221.11765	15.8
231.10078	16.3
249.11234	24.5
307.11694	9.2
317.10175	11.8
317.21057	3.3
335.11368	6.3
335.22061	6.7
353.15631	4.9
353.23212	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	353.123
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99724	2.1
51.12460	2.2
51.96560	2.5
53.03939	6.6
55.01879	18.9
55.05513	12.4
57.07095	3.2
59.05007	2.8
64.30991	2.3
65.03939	3.0
67.05508	25.6
68.99786	4.4
69.03430	19.3
69.07070	12.7
70.06586	7.1
71.04987	7.9
71.52243	3.4
73.06586	2.2
79.05495	35.8
81.03421	7.0
81.07058	37.1
83.04980	11.3
83.08615	3.1
85.02915	7.7
85.06534	6.5
87.00835	4.8
91.05466	35.8
93.07047	30.6
95.04969	36.9
95.08610	27.9
97.02875	12.9
97.06532	13.0
97.10175	11.8
99.04445	5.5
99.08071	3.4
103.05438	2.6
105.07028	64.3
107.04952	19.5
107.08582	39.9
109.02863	3.5
109.06515	30.3
109.10155	17.0
111.04456	9.4
111.08079	100.0
113.06021	5.1
113.09659	8.1
115.05448	3.6
116.07005	2.5
116.56596	2.5
117.07031	17.3
119.04937	11.5
119.08582	24.9
121.06497	29.2
121.10123	16.5
123.04460	2.3
123.08083	8.3
123.11729	5.2
125.06029	4.8
125.09630	4.4
127.07551	2.6
127.11154	4.9
128.06226	11.3
129.07004	24.2
130.07791	4.5
131.04900	2.8
131.08582	30.5
133.06500	15.4
133.10123	23.0
135.04422	4.2
135.08047	13.1
135.11673	8.7
137.05981	24.9
137.09601	12.0
137.13278	4.2
139.11191	4.5
141.05473	4.9
141.06987	9.9
142.07782	60.4
143.08553	36.9
144.05692	2.7
144.09335	10.7
145.06491	13.6
145.10147	36.4
146.07262	3.1
147.08072	6.5
147.11702	20.5
149.09630	13.7
149.13307	3.5
151.07578	5.8
151.11220	9.6
152.06129	3.3
152.07191	3.8
153.07387	4.4
155.10701	4.1
156.11028	4.2
157.06497	3.9
157.08795	3.9
157.10120	80.4
158.10866	3.5
159.08018	11.5
159.11687	36.6
161.05994	5.5
161.09622	41.3
161.13338	2.9
162.05536	7.8
163.11176	54.1
167.07037	2.2
167.08580	7.4
169.10033	3.2
170.07295	13.9
171.08067	7.6
173.09657	7.5
173.13275	11.2
173.15392	4.1
175.07568	3.4
175.11177	24.8
177.12770	4.5
181.12209	3.9
183.08070	2.6
185.09602	93.9
185.11279	4.9
187.11182	11.7
189.09108	9.0
189.12712	3.5
191.10605	5.9
191.14316	17.0
191.16354	4.1
195.08084	6.5
198.06860	3.2
203.10661	70.3
205.12274	3.7
208.06062	7.6
213.09114	73.5
221.11766	10.4
231.10144	52.4
248.09064	3.8
249.09288	6.3
249.11269	9.6
267.12228	3.9
289.21762	3.7
291.12259	4.0
299.20029	2.6
317.10727	6.6
317.21182	8.3
335.11206	14.2
335.22336	11.4
353.12955	3.4
353.15628	22.8
353.19528	8.2
353.23267	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	353.0843
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96557	5.2
61.02939	2.4
66.74955	2.1
69.03430	4.4
70.64808	7.6
73.02908	3.0
85.02901	14.0
97.02884	4.3
98.97591	8.8
110.97586	3.0
116.08313	2.1
116.98561	2.5
119.92124	2.0
126.71724	2.3
127.03925	6.9
145.05040	3.9
149.01253	3.0
161.02963	2.9
161.66199	1.9
165.00819	2.9
172.97633	2.7
189.00809	4.7
192.05624	2.1
208.99794	5.4
219.01909	2.1
232.99643	5.1
237.02710	2.6
245.05246	4.7
251.00810	3.3
261.02658	2.5
263.00919	3.4
263.06067	2.9
290.01788	2.0
293.05823	2.6
296.00494	2.8
353.08545	100.0
354.08853	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01861	3.3
55.05269	1.0
55.05511	19.3
57.03436	15.9
57.07079	4.9
65.03931	1.7
67.05505	49.0
69.03416	1.6
69.07071	20.6
69.35803	3.6
69.36235	5.3
71.04979	3.4
71.08634	57.4
79.05496	40.4
81.03418	9.8
81.07058	52.4
83.04535	1.3
83.04988	11.7
83.08627	12.4
85.06544	4.4
91.05482	32.0
92.05836	1.1
93.07045	61.9
95.04974	14.8
95.08609	37.1
95.09066	0.5
97.06522	8.4
97.10157	5.0
99.08093	37.2
105.07030	23.1
107.04967	7.3
107.08592	32.7
109.06535	5.1
109.10154	13.8
111.08067	3.6
113.09649	1.8
117.07026	5.0
119.08590	18.0
121.06494	1.8
121.10149	24.4
123.08074	2.8
123.11684	3.0
125.09625	1.2
127.11195	2.2
129.06995	2.3
131.08565	5.4
133.10135	13.4
135.08037	2.1
135.11696	34.7
137.09618	4.7
139.11142	1.0
141.09091	3.4
143.08556	3.0
145.10118	6.1
147.11676	7.5
149.09608	1.2
149.13242	10.8
151.11179	20.3
153.12862	2.1
157.10097	2.2
159.11713	4.8
161.09647	1.3
161.13255	12.9
163.11211	6.9
163.14845	2.6
165.12802	3.2
167.10722	2.2
170.32434	1.0
171.11737	3.5
173.13245	2.0
175.14835	2.0
177.12698	4.8
179.14317	100.0
180.14708	2.4
181.12146	1.0
185.13255	2.7
189.11247	0.9
189.12793	3.5
189.16287	1.0
190.65598	1.0
191.14403	1.0
195.13831	2.6
199.14786	1.3
207.13858	1.2
213.12630	1.1
213.16331	1.2
221.15437	3.1
226.14375	1.3
235.16924	6.4
241.19547	3.7
259.20587	7.4
277.21628	46.1
278.22006	1.4
279.03036	1.0
279.28281	1.0
292.22733	2.9
293.21323	1.3
295.22971	1.1
310.23975	1.6
332.82336	1.1
334.23697	1.6
351.25317	59.3
352.24921	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	351.2532
Annotation	Ambliolide
Peak:m/z	Relative Intensity
53.03943	6.9
55.01861	8.0
55.05520	18.6
57.03445	10.7
57.07074	5.4
59.91996	2.3
65.03938	3.5
67.05178	2.2
67.05514	38.7
69.03407	3.8
69.06736	1.7
69.07076	26.0
71.04998	2.8
71.08633	9.6
72.03841	1.8
79.05501	27.0
81.03420	21.2
81.07063	46.9
83.04976	7.9
83.08620	7.1
85.06534	4.8
85.10207	2.4
91.05486	19.3
93.07051	32.3
94.07346	2.2
95.04974	30.3
95.08612	25.4
97.06554	9.2
97.10167	7.0
99.08093	5.7
105.07027	23.3
107.04954	3.1
107.08604	20.9
109.06521	27.8
109.10170	14.2
111.08068	4.1
111.79625	1.8
117.06994	6.2
119.08585	16.0
121.06535	9.7
121.10158	11.9
121.10917	2.3
123.08081	3.5
123.11692	5.1
125.09625	5.9
129.07066	3.3
131.08589	10.0
133.10146	14.9
135.08054	4.3
135.11688	6.3
137.09648	3.8
143.08533	2.6
144.20271	1.8
145.10110	7.5
147.11705	11.9
149.13255	6.5
151.11205	21.6
153.12665	2.3
157.10188	4.1
159.11708	3.3
161.13263	7.5
163.11224	4.6
163.14853	4.9
165.12773	58.9
169.10101	2.1
171.11691	4.1
173.13243	6.1
175.11205	2.4
175.14841	3.0
177.12775	3.1
179.14337	4.4
183.12001	2.3
185.13245	2.9
187.14836	2.2
189.12831	2.5
191.14334	6.2
207.13892	3.1
231.21078	6.1
249.21974	2.4
259.20651	7.2
261.22180	4.3
271.20483	2.1
277.21661	42.4
277.24670	2.4
289.21646	30.5
290.22031	2.1
290.73193	1.9
295.19034	2.3
333.24420	14.0
351.25305	100.0
352.25372	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01860	10.0
55.05509	30.3
55.26308	2.6
57.03439	17.3
57.07077	3.9
61.02884	3.2
67.05175	3.6
67.05502	59.5
69.03412	3.3
69.07066	49.0
70.60902	10.3
71.08614	11.4
79.05056	4.2
79.05489	51.2
81.03427	5.7
81.07052	67.9
83.04979	7.5
83.08619	26.8
85.02878	3.8
85.06527	3.5
91.00542	3.0
91.03941	3.9
91.05476	41.9
93.07041	56.9
95.04948	9.8
95.08610	45.0
97.06518	15.1
97.10175	8.5
99.08076	10.1
105.07023	46.2
107.08588	42.9
108.49070	2.9
109.06494	7.2
109.10157	18.3
110.59769	3.4
111.08047	11.2
117.07005	8.4
119.08571	38.7
121.10120	35.9
123.08073	2.8
123.11668	8.6
125.09612	4.7
129.07019	6.8
131.08571	15.3
133.03488	3.3
133.10130	25.9
135.11693	25.6
143.08540	4.1
145.10110	11.1
147.11670	30.6
148.04753	3.4
149.13271	17.7
151.11147	12.5
157.10022	4.2
159.11649	13.6
161.13264	21.1
163.11183	5.2
163.14786	6.8
165.12717	8.5
171.11661	9.9
173.13263	9.0
175.04474	3.4
175.11185	3.5
175.14822	7.3
177.16422	3.6
179.14346	15.0
185.13187	8.8
189.12764	4.7
207.13866	3.0
217.19583	3.0
231.20970	3.6
241.19508	16.6
259.20547	40.6
277.21603	41.4
299.84891	2.8
321.22772	4.2
333.24155	7.4
341.09918	3.2
351.18353	7.1
351.25278	100.0
352.25546	6.3
372.83908	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53241	2.6
52.60640	2.9
53.03936	5.2
54.50845	2.3
55.05508	18.8
57.03426	10.2
57.07074	4.7
67.05508	39.0
69.07071	17.1
70.84901	5.8
70.85278	4.7
75.04428	2.7
79.05495	50.5
81.03423	4.1
81.07059	47.9
83.04994	5.3
83.08611	7.7
85.06540	4.5
91.05482	46.8
92.05824	2.5
93.07040	72.9
95.04978	7.7
95.08606	36.1
97.06499	3.6
99.08084	5.1
105.07027	57.7
107.08603	43.5
109.06539	5.1
109.10185	14.8
111.08086	4.2
117.07042	12.8
119.08575	50.4
119.09367	4.7
121.10137	35.0
123.08097	2.8
123.11732	4.1
129.07008	6.9
131.08569	20.0
133.10127	47.9
135.11703	39.2
137.09673	3.4
140.32826	2.4
143.08568	9.0
145.10130	21.2
147.08044	3.0
147.11674	44.7
149.09583	5.4
149.13274	20.9
151.11142	3.0
157.10144	9.9
159.11700	17.0
161.13240	36.0
163.11110	3.0
163.14766	5.7
165.12753	3.5
171.11673	14.7
173.13255	12.3
175.11264	2.9
175.14838	13.9
175.49010	2.8
177.12630	5.4
179.14284	2.4
185.13281	10.1
187.14882	3.7
191.14241	3.1
199.14864	9.6
213.16333	4.3
231.21072	6.1
241.19514	33.6
259.20572	100.0
260.20898	3.5
277.21628	21.2
295.22516	3.8
351.25333	93.5
352.25385	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	351.2531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67803	10.5
53.03939	11.2
55.05511	20.6
57.03442	15.3
67.05514	74.0
69.07077	33.5
71.08630	20.7
71.34103	19.2
79.05501	82.2
81.07045	86.2
83.08627	16.8
91.05463	79.6
93.07043	87.2
95.04959	12.7
95.08606	49.2
99.08089	13.2
105.07037	70.6
107.08593	82.9
109.10175	31.8
117.07054	21.0
119.08582	71.5
121.10126	59.7
129.07024	12.0
131.08568	34.5
133.10152	59.5
135.11726	49.8
143.08565	12.5
145.10139	16.9
147.11697	50.2
148.68915	9.9
149.13274	23.2
157.10107	14.0
159.11710	18.9
161.13245	34.8
163.14880	15.6
171.11737	26.6
185.13255	25.8
241.19508	41.2
259.20602	92.4
260.20847	12.3
277.21674	18.4
351.21417	13.4
351.25537	100.0
352.25153	22.0
359.36292	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	14.9
55.05500	20.1
56.96549	14.3
57.03436	13.0
67.05503	71.4
69.03417	9.3
69.07058	25.6
69.81588	12.1
69.81874	40.7
71.04984	9.9
79.05489	87.2
79.30702	6.0
81.03403	15.4
81.07056	62.8
83.05009	8.9
83.08617	11.5
91.05470	65.3
93.07042	100.0
95.04943	17.5
95.08610	39.0
95.32343	6.7
97.06526	13.6
99.08097	12.4
105.07019	65.0
107.08603	57.4
109.02844	12.8
109.10136	19.2
110.33907	6.3
113.09673	6.7
117.07060	6.9
119.08587	70.1
121.10149	41.5
126.28547	8.6
127.03880	17.6
129.06987	8.9
130.41237	6.3
131.08557	25.0
133.10138	47.4
135.11685	38.4
138.56897	7.2
143.08551	11.1
145.10104	26.0
147.11678	64.6
149.13203	16.1
157.10139	11.4
159.11668	27.2
161.13222	39.4
163.14813	8.2
165.12843	8.0
171.11691	22.2
173.13263	12.4
175.14763	12.1
185.13171	18.0
189.12798	9.1
199.14662	13.2
213.07956	11.0
229.07448	13.6
231.08931	8.1
231.21129	12.1
241.19563	31.5
247.08574	14.8
259.20575	88.1
277.21582	13.5
351.18512	14.1
351.25598	79.2
369.19424	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	351.2527
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50772	1.4
53.03938	4.3
54.91634	1.4
55.01876	1.7
55.05509	19.0
57.03426	10.2
57.07068	5.0
64.85076	1.2
65.03928	2.7
67.05501	49.3
67.69965	1.4
69.07067	14.1
70.78200	2.6
70.78558	2.8
71.04981	4.9
71.08631	1.9
75.04476	3.1
79.05492	65.4
81.03419	2.9
81.07057	56.1
83.04977	3.3
83.08621	8.3
85.06544	4.7
91.05479	45.5
92.05783	2.0
93.07041	95.4
94.07367	2.6
95.04958	5.4
95.08602	39.2
97.06534	2.7
97.10150	4.1
99.08089	4.7
103.05484	1.4
105.04604	1.5
105.07027	56.9
107.08591	57.2
109.06531	2.5
109.10146	13.9
111.08045	1.6
114.42573	1.4
117.07016	11.2
119.08578	48.3
121.10139	39.0
122.10519	1.7
123.11698	3.1
128.06285	2.4
129.07030	8.4
131.08557	19.2
133.10127	42.8
135.11690	41.3
137.09627	1.9
143.08531	8.8
145.10123	21.8
147.07996	2.1
147.11681	46.6
148.11987	2.0
149.09641	4.0
149.13258	25.4
151.11166	2.7
157.10120	11.3
159.11665	15.5
161.09628	2.7
161.13252	38.9
162.84756	1.3
163.11186	5.2
163.14853	9.8
171.11679	14.6
173.13234	10.9
175.11192	2.9
175.14824	18.4
176.15224	1.4
177.12802	2.7
179.14301	4.1
185.13232	12.2
187.14819	3.0
189.12833	3.0
199.14809	7.8
201.16360	2.0
203.14333	2.1
207.13676	1.9
213.16397	5.8
217.19490	4.3
221.15562	1.4
231.17554	2.7
231.21114	10.5
241.19505	38.5
259.20575	100.0
260.20966	4.3
277.21631	18.3
278.22018	1.8
303.71143	1.4
323.77515	1.4
332.19473	1.7
333.24326	9.6
351.25296	94.2
352.25455	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	351.253
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88562	1.5
53.03935	3.1
55.05513	9.7
56.96572	1.4
57.03439	4.0
57.07058	2.7
60.00677	1.3
62.36045	1.2
65.03938	1.2
67.05170	1.9
67.05507	28.3
69.07075	8.4
71.04998	2.6
71.08636	1.6
71.59524	1.8
75.04487	1.6
76.11177	1.2
77.03978	1.8
79.05491	32.5
81.03430	1.6
81.07060	31.4
83.04959	2.1
83.08617	4.2
85.02852	1.7
85.06540	3.0
91.05480	32.2
93.07042	42.9
95.04975	6.2
95.08600	19.3
97.06544	3.8
97.10157	1.8
99.08096	4.0
105.07027	36.2
107.08598	25.5
109.06543	2.3
109.10173	8.3
113.09647	2.4
117.06995	7.8
119.07782	2.6
119.08586	32.2
120.08891	1.5
121.10143	21.8
123.08081	1.3
123.11750	2.2
125.09670	2.1
129.07011	5.1
131.08592	14.1
133.10138	27.8
135.08051	2.3
135.11681	19.0
137.09560	2.6
139.11195	1.5
143.08565	8.0
145.10115	13.8
147.11691	26.1
149.13257	12.1
157.10114	6.6
159.11717	13.0
161.13258	22.5
163.11273	1.9
163.14809	2.7
171.11748	9.4
173.13274	6.5
175.11214	2.2
175.14856	13.6
185.13280	9.6
187.14874	2.2
189.12788	3.0
199.14893	5.1
203.14487	2.3
209.76753	1.3
213.16368	3.0
215.17941	1.9
217.19495	3.0
231.21130	6.8
241.19519	22.0
257.12152	1.5
259.20584	60.7
277.21506	3.7
297.55334	1.3
333.20273	1.4
333.24411	1.8
351.21393	100.0
351.25381	51.2
352.21576	6.4
352.25412	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	351.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
55.05515	19.6
57.03429	7.7
57.07069	4.9
67.05505	43.8
69.07069	13.9
71.04978	2.7
71.08636	3.3
71.34783	2.9
79.05489	65.4
81.07055	50.9
83.04994	3.0
83.08641	9.6
85.06541	4.6
91.05477	48.9
93.07040	84.8
94.07368	2.6
95.04947	4.8
95.08607	32.8
97.06522	4.5
97.10148	3.8
99.08112	4.9
105.07030	53.0
107.08590	55.2
109.06530	3.1
109.10125	12.5
111.08038	2.2
117.07011	13.8
119.08582	54.4
121.10145	43.7
123.11710	3.2
129.06990	9.9
131.08556	21.8
133.10120	46.3
134.10445	3.8
135.11688	44.6
136.12013	2.9
137.05956	2.4
143.08574	10.3
145.10124	23.5
147.08040	2.8
147.11690	45.9
147.12794	3.5
149.13243	23.8
157.10143	8.3
159.11728	18.3
161.09549	2.5
161.13252	34.9
163.11220	5.6
163.14838	9.8
171.11650	14.9
172.12175	2.2
173.13251	14.3
175.11211	4.3
175.14818	22.2
177.12767	3.4
177.16353	3.1
179.14249	2.1
185.13266	15.7
187.14856	2.9
199.14842	8.4
203.14281	3.0
207.13815	1.9
213.16495	3.0
217.19476	8.9
221.15440	2.1
231.17380	3.8
231.21024	9.5
241.19502	44.8
242.19714	2.2
259.20575	100.0
260.20966	2.5
277.18414	2.2
277.21640	14.9
333.24255	8.3
351.25302	93.5
352.25647	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	351.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	4.4
55.05516	18.9
56.96563	13.4
57.03437	10.1
61.02915	4.5
67.05177	4.2
67.05505	63.1
69.07070	22.7
71.04991	9.5
71.08629	5.3
74.44599	3.6
79.05494	61.2
81.00540	4.3
81.03419	7.4
81.07060	64.8
83.04981	6.5
83.08624	11.4
85.02925	3.7
85.06538	6.7
90.50399	3.8
91.05485	57.5
93.07045	100.0
95.04953	12.1
95.08617	39.6
96.08191	4.1
97.02929	4.9
97.06523	6.5
97.10205	4.3
98.21546	7.2
99.08097	6.7
105.07038	67.6
105.07696	7.4
107.08604	72.8
109.06508	4.6
109.10169	19.7
116.98592	4.2
117.07049	12.3
119.08587	57.3
121.10146	41.3
123.08085	6.9
123.11737	7.8
125.09626	3.8
129.07027	8.8
131.08524	22.0
133.10139	57.0
135.11696	50.9
143.08546	12.6
145.10136	24.9
147.11682	54.7
149.09602	7.2
149.13237	28.4
150.17337	3.5
151.11136	4.5
157.10144	10.3
159.11703	23.5
161.13240	43.4
163.11226	10.1
163.14769	4.7
165.12743	4.4
171.11731	9.2
173.13280	13.6
175.11214	4.6
175.14728	18.3
177.12733	5.4
185.13278	16.8
189.12851	4.6
193.12193	4.5
199.14845	9.0
203.05930	5.1
212.98410	4.1
217.19600	5.3
231.17488	4.9
231.21088	8.3
241.19572	38.0
255.09071	8.4
257.10675	5.4
259.20602	85.6
277.21619	16.1
285.09866	9.1
333.24191	8.2
351.08493	5.2
351.21106	13.3
351.25427	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30601	6.1
55.05510	12.8
57.07070	11.8
67.05505	31.6
69.07068	15.4
71.60822	11.3
76.67227	5.9
79.05494	22.4
81.07053	39.3
83.08607	8.2
91.05489	33.2
93.07034	54.3
93.09787	5.8
95.04964	10.3
95.08614	31.6
103.05502	6.8
105.07023	60.9
107.04964	7.0
107.08597	60.5
109.06535	8.6
109.10152	30.4
111.08089	18.0
115.05442	6.8
117.07018	14.7
119.08594	82.1
121.10136	77.5
123.08071	7.7
123.11713	9.4
129.06976	16.8
131.08557	31.0
133.10138	51.3
134.57184	6.2
135.11687	13.6
137.05986	28.5
142.07767	11.0
143.08569	28.2
144.09369	10.0
145.10104	50.5
147.11710	21.6
149.09634	7.3
155.08559	12.5
156.09332	6.1
157.10164	38.4
158.10837	8.1
159.11720	47.6
161.13292	9.9
163.11211	18.4
167.08682	8.6
169.10126	20.3
171.11731	27.0
173.09572	6.3
173.13271	21.7
175.14815	10.3
181.10139	13.9
183.11661	31.5
185.13293	24.5
187.11264	7.3
187.14844	33.1
193.10104	7.3
195.11647	12.2
196.08856	6.9
197.13321	20.2
199.14789	14.8
201.13025	8.2
207.11783	10.1
209.13336	15.0
211.11218	25.2
211.14775	9.4
221.13312	8.5
223.14806	8.1
225.16454	11.3
229.12215	18.0
235.14746	7.0
237.16322	10.0
251.18013	9.0
252.18709	8.3
265.19574	13.7
305.22516	11.3
315.21582	6.7
333.22174	13.8
351.23029	100.0
352.23441	9.6
368.21457	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	351.2317
Annotation	2-Geranyl-3,5-dihydroxybibenzyl
Peak:m/z	Relative Intensity
55.05493	7.2
55.88097	2.3
57.07072	3.9
59.22148	3.0
61.15476	3.0
61.38956	2.6
67.05504	20.3
69.07039	8.8
71.04967	3.1
73.66647	2.3
79.05460	10.8
81.07053	20.7
83.04928	3.1
83.08598	6.2
91.05483	24.4
93.07045	30.6
95.04944	10.3
95.08620	30.7
97.06498	5.4
98.21623	4.8
99.04469	2.8
105.07025	39.4
106.14391	2.8
107.04962	3.0
107.08590	36.1
109.06441	2.8
109.10148	23.5
111.04413	3.3
111.08047	7.5
115.05399	2.6
117.06996	11.6
119.08572	53.1
121.06467	3.9
121.10144	52.4
123.08031	5.0
123.11655	8.8
128.06169	4.6
129.06966	9.7
130.07750	4.1
131.08577	30.3
133.10130	31.3
135.07999	3.0
135.11661	16.3
137.05960	19.8
141.06923	5.9
142.07704	9.4
143.08557	20.1
144.09395	5.7
145.10110	40.6
147.08060	4.5
147.11694	12.6
149.09627	4.1
149.13232	3.6
155.08511	8.3
156.09280	7.3
157.10136	36.4
158.10851	6.6
159.08076	5.5
159.11679	25.8
161.09602	2.7
161.13217	10.3
163.11148	8.2
165.06999	4.1
166.07718	5.3
167.08511	5.4
168.09309	5.3
169.10124	14.8
170.10928	6.0
171.07954	3.0
171.11665	18.4
173.09537	4.0
173.13263	17.8
175.14783	6.3
179.08525	6.3
181.10072	9.1
182.10866	4.8
183.11693	22.2
185.09709	3.4
185.13214	13.3
187.11182	3.6
187.14819	27.2
189.12672	3.2
193.10065	6.3
194.10861	6.2
195.11649	15.6
196.12415	5.5
197.13225	13.9
199.11171	3.6
199.14816	7.1
200.15547	4.1
201.12701	4.9
207.11688	4.8
209.13220	13.7
211.11124	10.2
211.14761	6.6
213.12659	5.2
213.16269	4.3
221.13248	5.4
222.13866	3.5
223.14743	7.9
225.16350	6.3
229.12405	12.4
231.13657	3.5
233.44180	2.8
235.14803	4.1
237.16374	5.8
239.17883	6.4
249.16457	4.8
252.18657	2.9
253.15852	3.3
257.15277	4.5
265.19403	7.3
281.15335	3.8
284.77072	2.7
291.20859	3.3
295.16769	8.3
305.22617	3.4
309.18588	3.5
309.22110	3.7
323.23822	4.3
333.21924	10.1
351.23087	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	351.2143
Annotation	4,4-Difluoropregn-5-ene-3,20-dione
Peak:m/z	Relative Intensity
55.01867	1.0
55.05511	2.2
56.96567	2.5
57.03436	0.8
67.05513	3.1
69.03418	1.3
69.07073	2.4
69.53179	5.4
71.08622	1.5
77.00909	0.9
79.05502	3.6
81.03419	1.2
81.07055	5.7
83.04991	1.8
83.08639	0.9
85.02895	2.0
86.06077	2.3
86.09715	1.0
91.05491	2.7
93.07061	4.3
95.04967	1.4
95.08615	5.0
97.02914	1.1
97.06565	1.3
97.10191	0.8
98.97580	1.8
99.08061	1.1
105.07037	2.8
107.08586	3.5
109.02837	0.7
109.06536	1.1
109.10166	2.6
111.08117	0.8
117.07045	0.7
119.08591	2.3
120.08128	1.4
121.06520	0.9
121.10163	2.1
123.08101	1.4
123.11749	1.2
132.70677	0.7
133.10115	2.2
135.04530	0.7
135.11748	1.0
145.10114	1.1
147.11707	1.2
149.13237	0.7
151.11176	1.4
157.10165	1.1
159.11664	1.2
161.13321	0.7
163.11212	0.8
165.12794	0.7
171.11723	0.8
173.13411	0.6
193.12323	0.7
215.11336	2.3
217.62419	0.7
231.10822	0.8
241.12929	0.7
243.14471	0.8
253.12927	1.7
270.13712	0.8
271.13892	2.2
277.21274	0.9
315.23331	1.2
319.64410	1.3
323.19284	0.9
333.19241	1.2
333.24490	1.4
351.21432	100.0
352.21478	3.2
356.20633	0.8
369.21161	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	351.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.1
55.01856	1.3
55.05515	1.5
56.05041	1.7
56.96567	26.8
57.03429	3.2
60.04512	1.3
61.02930	2.9
69.03431	5.3
70.06590	2.1
71.04986	2.4
71.60169	1.3
71.60551	1.2
72.08158	2.0
73.02921	2.9
74.97604	2.0
81.03419	3.1
81.07050	1.4
83.08587	1.3
84.04500	1.5
84.08152	3.3
84.96030	4.7
85.02905	13.4
86.09712	1.5
97.02892	7.2
98.97586	95.9
99.04441	1.3
110.97549	6.7
114.85999	1.2
116.98622	85.1
123.05576	2.9
127.03914	4.4
128.98608	14.5
131.00195	2.4
134.99661	41.9
135.04408	1.9
136.06215	1.4
140.00217	3.2
143.00148	3.0
145.01733	2.2
145.04990	2.0
146.99657	17.0
147.03281	3.0
149.01230	2.1
151.09752	1.1
152.98625	2.0
153.00711	5.1
154.05000	2.8
154.80510	1.3
158.01286	4.2
158.97536	1.7
158.99649	33.4
160.22247	1.4
161.01242	4.9
161.02971	1.3
162.05458	6.3
162.99126	2.0
163.02744	2.8
165.00757	3.6
165.04387	5.4
170.99698	5.8
171.03305	2.2
172.06134	1.5
174.99213	2.3
177.00714	59.6
179.02284	1.3
183.05304	1.3
189.00681	8.7
189.04343	17.3
190.04987	7.4
193.00255	4.0
193.03925	1.6
195.01836	3.5
200.02414	4.9
201.00772	2.8
205.00221	1.6
207.01726	2.5
207.05402	5.8
219.01764	16.3
220.12094	1.6
230.95929	2.1
231.05470	3.3
234.98949	2.0
237.02814	37.0
249.06522	4.5
251.04431	1.5
255.03984	3.5
291.07477	26.5
309.08566	100.0
310.08923	5.5
332.10275	8.8
351.09656	62.1
352.10089	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33141	1.3
51.47161	1.4
54.37523	1.4
56.96561	1.4
64.59285	1.5
65.78889	1.4
69.55848	5.3
69.56274	6.1
81.24158	1.7
88.00405	1.4
97.02880	2.2
98.97584	2.1
119.01922	4.2
121.01656	5.4
133.01645	2.0
169.97438	1.5
189.00630	3.5
217.00157	4.1
217.38367	1.6
249.02817	4.4
269.05661	1.8
351.06876	100.0
351.12302	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	351.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.7
56.96563	16.5
58.06556	0.8
61.02896	1.6
63.23888	0.6
67.05463	1.0
69.03406	1.5
70.06587	1.2
70.82207	1.6
71.04971	1.0
73.02880	0.8
81.03387	1.0
81.07036	0.7
83.04922	1.1
84.04494	1.4
84.08132	1.3
84.96037	4.1
85.02915	5.9
85.06513	1.3
97.02851	2.1
98.97584	58.8
102.97024	1.4
107.04932	0.8
109.02827	1.1
109.10141	0.9
110.13353	0.7
110.97594	6.5
112.99114	1.1
116.98620	46.5
120.08068	0.7
127.03899	2.6
128.98610	11.4
131.00156	2.1
134.99661	26.4
135.04408	0.6
135.81636	0.7
140.00154	3.3
141.89699	0.7
143.00133	1.8
144.98123	1.0
145.01741	1.0
145.04942	1.1
146.99643	11.0
147.03311	5.0
149.01176	1.5
152.98593	1.4
153.00664	3.2
155.04607	1.4
158.01273	2.1
158.99643	23.7
161.01175	4.6
162.05460	0.7
162.99129	3.0
163.02757	4.2
165.00726	1.9
165.04338	6.5
170.59976	0.7
170.99652	5.5
171.03279	1.3
175.02789	1.1
177.00720	33.7
179.02289	1.4
183.05432	0.9
188.12706	1.2
189.00732	5.3
189.04332	8.4
189.06216	1.0
189.06549	0.9
190.04974	1.3
193.03839	1.3
195.01767	3.7
200.02316	2.1
201.00737	2.2
201.04202	0.8
207.05365	5.9
219.01779	16.1
219.05338	1.9
231.05391	3.9
234.99115	0.8
237.02823	43.6
238.03102	1.1
242.03421	1.0
243.05356	0.9
249.06442	3.1
251.04434	0.8
255.03905	4.9
260.04514	1.3
291.04251	1.5
291.07501	28.7
309.08560	100.0
310.08920	2.5
332.10217	7.8
351.09818	58.7
352.10025	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01823	1.3
56.96569	2.5
61.02914	2.5
67.54721	1.4
69.03439	1.6
70.71410	3.4
73.02915	1.5
84.08146	2.6
85.02912	5.0
97.02868	2.4
109.76013	1.4
114.03975	1.2
115.02441	1.5
116.98597	2.8
119.01926	5.0
121.01675	3.1
128.43954	1.4
128.98640	1.9
131.01895	2.4
133.03487	2.3
135.03275	1.5
140.17531	1.2
144.84363	1.6
145.03482	2.5
146.99667	1.7
147.05031	2.9
148.75467	1.3
157.03548	2.1
171.05049	3.1
173.02954	3.8
185.02934	1.6
187.04539	1.7
189.06078	1.6
201.06090	3.4
217.00130	2.1
221.04916	2.0
242.73778	1.5
247.06670	1.8
248.05330	1.6
249.02837	1.9
286.20200	1.6
291.04767	2.7
291.09323	6.6
309.10315	1.8
333.06558	1.7
351.06888	100.0
351.12393	25.5
352.07269	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	2.5
55.05507	14.7
57.03439	1.7
57.07053	2.2
60.04517	2.2
61.02921	1.8
67.05503	4.5
69.03416	6.5
69.07074	7.4
70.06570	5.3
70.24511	1.3
70.24827	7.2
71.04984	3.4
71.26667	1.3
79.05492	17.9
81.03421	2.9
81.07067	8.2
82.06580	2.5
82.33794	1.4
83.04953	1.8
83.08625	8.5
85.02905	29.9
85.79662	1.4
86.09720	5.2
91.03935	1.7
91.05470	4.7
93.06480	2.5
93.07047	35.6
95.04951	4.0
95.08584	4.2
97.02898	6.4
97.06540	14.8
98.20860	1.5
100.07589	2.6
100.11261	32.1
101.11592	6.5
105.07023	5.3
107.08596	29.3
109.02892	4.0
109.10146	4.4
110.06031	2.5
110.09747	1.5
111.04430	2.7
117.07056	1.4
119.08552	5.7
120.08107	3.1
121.10179	2.1
125.13286	2.1
127.03922	6.4
128.07082	2.2
133.10120	6.2
135.04411	1.4
135.11693	100.0
137.13275	2.6
141.11443	2.7
145.04973	12.3
145.10144	1.5
147.11703	2.8
148.07539	1.5
153.12732	12.9
157.13315	1.8
163.06050	3.8
175.14828	4.6
182.15358	8.6
183.15770	2.6
209.16483	3.9
210.14876	10.8
211.15201	3.7
213.17825	2.0
213.68005	5.0
227.17531	4.4
227.67731	3.1
228.17865	2.0
249.73239	1.8
276.72873	3.5
277.22955	21.6
277.73010	3.8
327.28070	1.8
332.13004	2.5
340.76089	6.7
341.26263	2.2
343.30637	6.3
344.30969	6.2
349.76819	2.2
350.14090	2.8
350.29477	2.0
351.17953	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	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
54.92645	1.6
55.01873	2.8
55.05292	1.8
55.05516	16.7
56.05856	2.1
57.03419	2.3
57.07069	2.7
60.04512	2.3
61.02922	3.6
67.05496	6.2
69.03423	5.6
69.07083	8.4
69.34467	3.7
69.34881	12.8
70.06596	9.1
71.04990	1.8
77.18665	1.6
79.05489	22.0
80.53400	1.6
81.03417	2.9
81.07069	11.4
82.06584	5.6
83.04984	5.0
83.08610	9.9
84.08926	1.9
85.02907	32.6
85.06522	2.3
86.09701	9.3
91.05472	7.7
91.39133	1.8
93.07037	41.1
95.04973	2.3
95.08613	8.0
97.02892	8.9
97.06528	14.0
98.09709	2.1
100.11264	40.3
101.11592	10.2
105.07058	5.8
107.08592	32.9
109.02836	3.2
109.10149	4.9
110.06082	2.8
111.04450	5.6
116.07116	2.5
119.08651	7.8
120.08121	10.6
121.10150	5.1
123.08065	2.8
124.07580	2.1
126.09187	1.8
126.87895	1.7
127.03923	8.8
128.07031	4.0
133.10124	7.3
135.04430	2.2
135.11688	100.0
136.07664	1.9
137.13239	3.6
138.09117	1.7
140.07060	1.8
145.04962	12.3
147.11668	3.9
153.12747	17.1
157.13368	3.9
161.05920	2.4
162.05522	2.4
163.06052	4.0
166.08737	1.8
175.14804	9.2
182.15385	8.8
183.15764	2.4
185.12871	3.7
190.03336	4.5
191.11806	3.6
193.10544	2.6
199.18129	2.5
208.12083	1.9
209.16483	3.6
210.14934	13.5
210.16702	2.7
211.15201	4.9
213.67934	4.5
227.17613	7.6
227.67732	1.8
228.17879	3.1
245.18509	1.9
276.72876	4.8
277.22949	26.0
277.73178	2.8
285.74237	2.8
297.16879	2.2
327.28366	2.1
332.12775	2.8
332.27512	2.1
333.09241	1.9
340.76059	12.0
341.26379	1.7
343.30634	8.4
344.31137	8.8
349.76730	2.3
350.13528	6.7
350.29059	3.5
351.18091	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	350.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.4
55.05511	6.6
57.03421	3.7
59.04982	2.9
60.04520	1.3
61.02929	2.2
67.05502	7.2
69.03412	2.9
69.07063	5.5
69.53315	9.4
70.06583	1.7
70.73959	0.9
71.04982	9.2
74.44595	1.1
79.05477	4.7
81.03405	2.4
81.07058	22.1
83.04976	2.7
83.08620	11.9
85.02905	16.5
86.09679	1.6
91.03931	1.6
91.05479	4.4
93.07044	41.9
95.08606	31.1
97.02876	4.6
97.06528	23.1
101.09645	3.8
105.07016	2.9
107.08593	54.1
109.02910	1.8
109.09460	2.0
109.10155	32.2
111.08048	1.5
119.08550	1.9
120.08097	1.3
121.10152	1.1
123.11720	14.6
127.01318	1.1
127.03901	3.7
127.11186	2.0
135.04512	1.2
135.11687	100.0
136.12030	1.4
141.12717	3.7
145.04922	4.3
152.07130	1.1
153.12746	58.4
171.13795	60.1
211.13240	1.4
340.50192	1.2
351.18149	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	350.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32734	0.8
53.24895	0.9
54.57994	0.8
55.01844	0.9
55.05499	1.1
56.96572	1.4
57.03425	1.4
58.99587	1.2
61.02926	2.0
65.03933	3.4
65.52644	0.8
69.03423	5.6
69.07062	1.2
69.26438	0.9
70.06580	3.2
70.93285	2.4
71.04979	1.4
72.08158	1.3
81.03424	2.3
81.07066	1.1
84.04501	1.5
84.08130	3.0
85.02430	1.1
85.02906	15.0
86.09709	3.0
87.04473	1.3
91.03950	1.1
93.07053	1.2
94.06582	1.4
95.08614	1.3
97.01119	1.5
97.02890	5.8
98.97576	2.1
99.02673	8.3
99.04473	1.2
102.05583	1.3
105.26101	0.8
107.08614	1.8
107.90374	0.9
108.08140	0.9
109.02866	1.9
109.06552	1.0
111.08030	0.9
116.98556	1.4
123.08084	0.8
124.07603	0.9
125.09558	1.0
126.03729	2.2
127.03828	1.8
135.04445	1.4
140.05330	4.3
145.04976	1.3
146.99663	1.4
147.08032	1.1
152.05293	100.0
153.05551	2.3
153.09109	2.7
154.06863	8.6
161.53462	1.0
168.04868	1.1
170.06364	33.8
171.06505	1.9
171.10266	1.8
177.00677	1.0
179.03375	3.4
182.80162	0.9
187.02678	0.9
188.07401	19.6
188.09132	0.9
188.12944	2.1
188.69865	1.0
189.05919	1.2
215.10573	1.4
238.02998	1.1
250.29031	0.9
311.31674	1.0
332.11618	19.5
350.09091	7.8
350.12790	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	349.2738
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.01846	0.9
55.05520	5.0
57.03417	0.8
57.07067	1.1
67.05504	6.1
69.07069	9.5
71.04980	1.3
79.05488	4.7
81.07051	9.3
83.04975	0.9
83.08638	5.1
91.04921	0.9
91.05477	2.6
93.07052	7.4
95.04951	1.3
95.08601	6.5
96.78278	0.9
97.06544	1.7
97.10175	1.1
98.20702	1.5
100.62035	0.9
105.07001	5.9
107.08576	4.1
109.06511	8.9
109.10158	2.9
111.08072	2.2
119.08570	5.0
121.06622	1.0
121.10133	4.3
123.08067	59.4
123.11668	2.5
125.09641	2.9
131.08553	2.7
133.10127	3.5
135.08066	3.7
135.11687	1.7
135.82295	1.0
137.09598	3.9
143.08560	1.1
145.10110	3.3
147.11647	2.5
149.09628	1.7
149.13243	1.5
159.11726	1.6
161.13359	1.0
179.14316	6.5
275.20047	1.7
281.21579	1.0
293.21121	15.7
293.94934	0.8
293.99686	0.9
294.21713	1.0
331.26315	3.3
349.27380	100.0
350.27753	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08385	2.9
53.03932	4.0
55.05518	21.0
57.07075	5.4
67.05505	41.4
69.03437	6.5
69.07073	21.0
70.03810	16.5
71.04993	6.3
77.03888	2.7
79.05486	28.1
81.07056	48.0
82.88494	2.7
83.08619	5.9
91.05479	48.4
93.07044	68.8
95.04965	30.4
95.08046	4.4
95.08610	55.6
97.06520	14.8
98.21413	3.6
99.65421	3.0
103.05441	5.0
105.07031	98.1
107.08597	56.4
109.06504	11.9
109.10151	47.7
115.05424	4.5
117.07011	19.5
119.08582	100.0
121.06474	8.2
121.09314	6.0
121.10145	93.2
123.08073	9.9
123.11700	9.8
125.09657	6.1
128.06227	8.8
129.07027	17.0
130.07773	7.7
131.08559	56.5
133.10133	53.0
135.08034	13.5
135.11688	20.8
141.06978	8.3
142.07796	15.0
143.08549	28.9
144.09325	9.9
145.10127	58.5
147.08018	8.4
147.11696	25.6
149.09634	10.4
149.13269	3.9
155.08560	12.6
156.09335	12.1
157.10146	47.9
158.10727	5.0
159.08110	6.0
159.11699	29.3
161.09639	26.6
161.13254	11.7
163.11198	4.6
165.06902	3.3
167.08566	9.2
169.10147	22.0
170.10872	9.0
171.11717	18.6
173.09586	4.9
173.13278	18.3
175.11177	4.5
175.14812	12.2
179.08575	10.5
181.10081	9.2
182.10860	6.6
183.11722	16.1
184.12462	3.2
185.09607	4.0
185.13277	15.4
187.14825	26.1
189.12697	6.8
193.10071	4.9
194.10962	9.5
195.11624	14.4
196.12366	3.2
197.13287	18.3
199.14842	10.1
200.15616	4.2
201.16449	5.1
207.11713	5.7
209.13225	26.6
210.14005	4.2
211.14819	10.2
213.12915	4.2
213.16469	5.0
219.17488	3.0
221.13333	3.2
223.14804	8.4
225.16454	4.3
227.14290	17.4
237.16389	5.3
239.17860	6.5
253.19461	3.8
255.17477	6.9
265.19604	5.6
281.18881	4.6
293.18948	7.6
322.38959	3.4
331.24246	4.1
349.25244	73.0
350.25638	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	349.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	14.7
55.05496	25.1
57.07052	17.3
61.77128	11.6
67.05490	43.1
69.07067	33.2
71.51902	17.8
79.05496	39.2
81.07072	74.0
81.07458	14.3
83.04974	14.7
83.08607	19.8
86.30737	13.4
90.97293	12.4
91.05492	54.8
93.07037	85.8
95.04969	31.5
95.08617	48.0
97.06490	17.7
101.94191	12.7
105.07046	77.5
107.08584	73.2
109.06483	15.3
109.10141	68.4
110.09423	11.9
117.06999	20.1
117.58620	12.7
119.08585	100.0
121.10139	79.5
123.08054	32.0
123.11722	17.1
125.09621	41.4
131.08566	55.1
133.10133	57.9
135.08015	18.7
135.11723	27.8
140.64226	16.1
143.08565	32.4
145.10146	60.7
147.08069	12.9
147.11685	19.1
155.08511	19.0
157.10109	48.4
159.11699	30.9
161.09625	28.1
161.13251	15.0
171.11708	22.7
173.13199	26.1
185.13298	21.4
187.14830	32.9
207.89000	15.2
209.13254	17.1
227.14455	19.5
239.87061	13.1
283.04150	16.0
349.24985	75.2
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
53.03943	2.7
54.13275	1.7
55.01877	9.2
55.05517	21.0
56.96567	9.8
57.03441	21.4
57.07082	3.2
61.02925	5.0
65.03933	1.8
67.05506	36.0
69.03436	5.6
69.07072	24.0
69.07410	2.4
69.97718	1.7
70.53696	1.5
70.54340	4.9
71.04997	3.0
73.02915	2.5
79.05498	38.1
79.05959	2.3
81.03427	6.0
81.07062	46.2
83.04974	7.6
83.08646	7.7
85.02921	6.1
85.06560	3.8
91.03955	2.5
91.05486	40.2
93.07050	41.9
95.04977	10.8
95.08613	27.3
95.09171	2.4
95.46089	1.6
97.02904	5.2
97.06539	12.5
97.10201	2.9
98.97589	1.5
99.08082	3.0
103.05459	1.7
105.07039	42.7
106.07354	2.9
107.04958	9.1
107.08607	28.4
107.09300	2.3
109.02882	1.5
109.06518	15.5
109.10153	13.0
111.08109	3.4
113.05987	1.5
115.05492	1.4
116.98666	1.4
117.07037	12.9
119.08601	27.6
121.06500	10.3
121.10155	15.1
123.08100	7.3
123.11707	3.4
125.09595	7.3
128.06134	1.7
129.05505	1.7
129.07037	5.4
131.00128	1.6
131.08574	19.8
133.06581	3.5
133.10146	24.9
133.11102	2.2
134.99655	1.5
135.08084	5.2
135.11685	9.9
137.09615	2.3
141.07092	1.5
143.08609	4.8
145.10141	24.8
147.08081	3.5
147.11716	17.4
149.01248	2.6
149.09633	9.5
149.13277	5.3
151.11238	6.4
155.08607	3.3
157.10126	8.3
159.08115	1.6
159.11703	22.5
161.09663	4.7
161.13260	8.3
163.11198	8.0
169.10152	4.4
171.11810	4.9
173.09708	3.1
173.13297	11.1
175.11238	4.2
175.14810	2.5
177.12787	3.8
183.11757	4.0
185.13278	7.2
187.11301	2.6
187.14880	1.8
189.12749	1.5
191.14410	2.5
195.11871	1.6
197.13278	2.6
201.12825	3.9
201.16489	1.9
203.14412	4.5
207.13889	1.7
209.11696	1.8
215.14449	2.8
215.18027	2.6
219.17532	5.5
229.19620	4.0
239.17999	8.3
247.20731	3.9
251.08826	5.8
251.58792	1.8
253.07465	2.9
255.09184	3.1
257.19034	22.3
258.19464	3.3
267.09277	2.1
271.08636	5.2
273.10306	4.3
275.20074	100.0
276.20465	5.7
283.08612	4.9
283.15414	3.6
285.10260	5.1
289.09537	10.4
293.21204	8.1
294.10175	2.3
301.09799	3.9
308.11856	1.5
318.64594	1.7
349.23892	67.8
350.24060	5.8
366.00436	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.6
55.01859	7.0
55.05511	21.0
56.96566	13.3
57.03438	16.0
57.07057	3.3
67.05170	3.7
67.05505	48.6
68.67308	1.9
69.03420	2.7
69.07063	27.5
71.04999	4.1
71.59960	2.5
71.82887	2.2
79.05494	57.1
81.03423	5.5
81.06579	4.5
81.07055	80.7
83.04974	7.4
83.08620	10.3
85.02885	2.8
85.06538	3.6
91.05482	42.3
93.07040	42.1
95.04962	9.1
95.08610	37.4
97.06536	10.9
97.10176	4.0
103.05502	3.2
105.07029	42.3
107.04944	8.5
107.08598	36.4
109.02864	2.1
109.06507	17.7
109.10154	14.1
117.07009	14.1
119.08586	41.8
121.06518	3.7
121.10166	17.8
123.08091	6.2
123.11724	6.7
125.09631	8.0
129.06998	6.3
131.08569	26.5
133.10121	29.0
134.10426	2.8
135.08052	4.4
135.11685	9.6
137.09653	3.4
138.05478	2.2
141.06966	4.4
143.08569	7.0
145.10121	32.9
147.08054	2.6
147.11684	20.9
149.09605	9.5
149.13248	6.0
151.11223	3.4
155.08536	2.9
157.10112	5.2
159.11688	17.2
161.09698	2.7
161.13231	7.0
163.11201	5.8
163.14809	2.4
165.12830	2.8
169.10089	4.4
171.11729	6.6
173.13272	9.0
175.11189	3.5
180.24852	2.2
182.70602	2.1
183.11577	3.0
185.13188	3.1
187.14763	2.3
193.12256	3.3
197.13297	4.8
199.06302	3.3
203.05894	3.2
211.14799	2.3
217.07323	2.4
229.19513	5.8
239.17987	6.8
247.20589	5.2
255.08983	5.2
257.18991	25.7
267.09076	2.7
272.38324	2.2
273.09952	4.7
275.20065	50.3
331.15808	8.9
349.16919	30.2
349.23734	100.0
350.17252	3.8
350.24115	7.3
367.17825	13.9
372.18591	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	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	13.8
55.01870	16.3
55.05508	45.1
56.96552	3.4
57.03437	24.8
57.07059	2.9
65.03933	7.2
67.05502	78.8
69.03423	5.3
69.07071	49.1
69.30056	32.3
71.04981	6.8
71.63956	2.8
73.61775	3.2
79.05493	100.0
81.03435	20.2
81.07054	70.2
83.04982	24.4
83.08612	15.5
85.06544	5.9
87.90250	2.8
91.05478	64.6
93.07038	77.2
95.01320	12.0
95.04962	24.1
95.08608	43.6
96.08966	3.1
97.06516	19.5
97.10155	11.4
98.20699	5.1
104.52570	2.8
105.07018	75.1
107.04942	35.4
107.08595	59.5
109.06544	14.2
109.10136	19.7
111.08047	5.8
117.06996	23.2
119.08585	52.4
121.06493	7.6
121.10145	27.3
122.09740	3.1
123.08074	10.6
123.11657	5.0
125.09622	23.3
129.07030	4.1
131.08566	28.4
133.06511	3.6
133.10129	53.9
135.08058	11.5
135.11708	16.6
137.09589	5.2
143.08530	8.4
145.06557	6.4
145.10098	26.3
145.18410	3.3
147.08018	6.1
147.11658	24.1
149.09615	38.1
149.13274	8.3
155.08536	4.5
157.10144	6.6
159.11693	20.3
161.09619	4.6
161.13245	10.4
163.11185	6.9
163.14888	4.9
169.10040	4.1
169.12251	4.2
171.11797	10.2
173.11800	5.0
173.13263	8.8
175.11272	4.4
177.12744	9.5
179.14326	19.9
181.15790	3.1
183.11711	5.4
185.13301	3.2
187.11287	4.9
189.11195	9.3
203.02136	3.4
203.14110	3.7
205.12299	3.0
209.15358	6.1
219.13760	3.4
229.19603	6.7
239.17953	4.4
247.20653	5.7
257.19022	18.0
273.18372	3.7
275.20078	88.1
276.20395	6.9
285.10471	4.0
291.19351	3.9
299.15881	3.6
349.12936	16.7
349.16858	10.6
349.23743	91.3
349.27179	3.4
349.33801	5.0
350.13339	3.8
350.23328	24.7
372.18655	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63692	2.6
53.03939	17.1
55.01869	15.3
55.05507	29.7
56.96539	5.3
57.03442	25.0
63.05758	2.5
63.85966	2.8
65.03941	5.8
67.05507	81.7
69.03447	5.3
69.07070	73.6
70.77572	6.0
70.77972	4.5
70.92211	2.4
71.05003	5.0
73.02911	3.2
75.58752	2.6
79.05059	4.8
79.05494	67.5
81.03414	32.2
81.07058	93.8
83.04995	17.4
83.08640	14.2
85.06516	7.1
91.03905	2.7
91.05485	82.2
93.07047	74.2
95.01334	30.9
95.04968	24.3
95.08607	66.8
97.02892	5.6
97.06542	26.9
97.10200	5.3
99.04475	2.6
99.08086	3.4
105.07034	100.0
107.04958	43.0
107.08600	37.9
107.09740	2.4
108.21458	2.8
109.06523	11.4
109.10162	15.5
111.04446	3.2
111.08088	7.6
117.07030	31.9
119.08586	63.0
121.06485	6.3
121.10140	22.3
123.04418	8.6
123.08097	15.3
123.11729	6.8
125.09641	13.7
129.06996	7.3
131.08574	45.9
133.03491	5.6
133.06505	3.5
133.10133	72.7
135.08072	8.4
135.11679	17.0
137.09575	5.8
141.06998	3.7
143.08611	8.7
145.06479	6.3
145.10127	35.0
147.08153	3.1
147.11691	21.7
149.09605	13.1
149.13258	9.7
155.08533	3.0
157.10126	9.3
159.11687	29.2
161.09621	6.6
161.13216	12.6
163.11209	9.2
165.09105	4.2
169.10115	5.9
171.11769	12.3
173.13310	8.2
175.11278	3.3
177.12796	12.8
179.14307	32.8
187.11249	8.5
195.13779	3.4
197.13168	4.2
203.14299	3.0
205.12251	3.2
219.13817	3.4
219.17435	18.7
225.11218	3.0
229.19606	2.7
239.17949	3.6
247.20535	4.0
257.19006	14.6
275.20068	92.5
276.20370	7.5
301.20306	3.6
349.23743	79.0
349.33780	4.4
350.24207	8.2
363.10760	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.9
55.01863	4.5
55.05271	0.9
55.05510	12.8
56.96564	7.2
57.03437	13.1
57.07071	3.0
65.03921	1.4
67.05502	29.2
69.03405	2.3
69.07066	18.5
70.34051	2.2
71.04966	2.4
71.95236	0.7
79.05490	23.9
81.03393	1.8
81.07055	34.7
82.07397	0.8
83.04974	7.8
83.08615	5.2
85.06535	1.0
91.05476	22.2
92.05820	0.7
93.07044	31.0
95.04971	10.1
95.08607	20.0
97.02857	1.2
97.06523	5.9
97.10144	1.8
98.66741	0.6
99.08060	0.8
103.05463	0.8
105.07027	28.2
105.18349	0.6
107.04951	9.9
107.08593	20.4
108.08949	0.9
109.06516	13.5
109.10146	8.6
111.08051	2.3
115.05448	0.6
117.07018	10.4
117.72169	0.6
119.08579	15.9
121.06504	12.7
121.09318	0.8
121.10139	9.9
123.08046	6.8
123.11674	2.1
125.09643	3.6
129.07028	3.2
130.07753	0.7
131.08566	15.0
133.06508	3.8
133.10129	18.2
134.10419	1.0
135.08058	5.2
135.11702	6.5
137.09625	2.0
141.06993	1.5
143.08551	3.0
145.06465	2.0
145.10118	13.5
147.08057	4.0
147.10660	0.8
147.11699	11.2
149.09618	6.7
149.13300	3.3
151.11185	5.6
152.36780	0.6
155.08519	1.7
157.01810	0.6
157.03093	0.6
157.10107	3.8
159.08051	2.6
159.11694	8.1
161.09621	3.0
161.13312	3.1
163.11177	6.5
169.10107	1.9
171.11687	2.6
173.09598	2.7
173.13249	6.4
175.11162	3.1
175.14807	0.8
177.12698	3.0
179.10664	0.9
180.35292	0.8
183.11668	2.4
185.04878	0.7
185.13193	1.1
187.11188	2.8
187.14821	1.8
189.04221	0.8
189.12724	1.1
191.14301	2.6
197.13264	1.9
199.06441	1.6
199.14828	1.0
201.12682	3.0
201.16359	0.8
207.10117	0.9
207.13762	2.8
213.07971	2.7
213.16357	0.8
215.14279	0.9
215.17992	2.0
217.07492	1.5
217.15950	0.7
219.13828	3.2
225.14803	0.7
229.07420	5.9
229.19450	3.2
231.09048	3.8
231.17390	1.1
233.19058	0.9
236.09625	0.7
237.14696	0.8
239.17924	3.4
243.09029	2.0
247.08493	3.4
247.20641	4.4
252.09186	1.1
257.18994	14.4
258.19238	0.7
261.10031	0.9
267.09164	1.1
269.10559	1.2
275.20056	100.0
276.20419	5.2
285.10147	1.7
287.11383	0.7
293.21124	9.3
294.21408	0.9
331.15918	1.0
349.17169	9.0
349.23727	46.6
350.17389	0.8
350.23837	3.5
367.18021	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34225	0.8
53.03940	2.5
55.01868	5.8
55.05513	10.9
56.96562	1.1
57.03441	13.5
57.07057	3.1
61.02909	3.8
67.05503	26.3
69.03416	3.5
69.06731	1.2
69.07072	18.8
70.20223	3.7
71.04980	2.0
71.14160	0.9
73.02898	1.7
79.05064	1.5
79.05497	22.5
81.03407	4.0
81.07059	37.6
82.07377	1.1
83.04986	7.2
83.08613	6.1
85.02896	4.1
85.06531	2.6
91.03927	2.3
91.05483	23.6
91.06019	0.8
93.07047	32.0
94.07343	1.3
95.04971	11.0
95.08609	21.4
96.08868	0.9
97.02885	2.7
97.06508	3.9
97.10184	2.0
99.04507	1.0
101.02362	1.1
105.07032	28.4
107.04958	8.7
107.08588	20.3
109.06522	10.3
109.10152	8.4
111.08077	2.5
115.05492	1.0
117.07012	8.5
118.38205	0.8
119.08591	20.1
121.06493	10.9
121.10143	9.3
123.08082	5.2
123.11713	2.7
125.09636	3.6
125.98349	0.8
127.03919	1.2
129.06985	2.8
131.08559	16.6
133.06487	3.2
133.10139	17.3
135.08057	5.7
135.11676	6.9
137.09602	2.8
141.06966	1.6
143.08571	3.3
145.06494	2.0
145.10114	14.3
147.08081	4.5
147.11697	11.4
149.09625	7.0
149.13234	3.5
151.11201	6.1
155.08537	1.6
157.10135	4.3
159.05067	0.9
159.08044	1.8
159.11693	9.3
161.09618	4.4
161.13213	3.7
163.11186	6.6
165.09172	1.2
165.12727	1.3
169.10164	1.7
171.11699	3.5
173.09673	2.5
173.11942	0.8
173.13261	4.9
175.11185	4.9
175.14708	1.0
177.12746	2.8
179.10637	0.8
179.14238	1.7
183.11746	1.9
185.13322	1.7
187.08302	1.4
187.11250	2.3
187.14751	1.7
189.12733	1.3
191.14305	2.5
193.12267	2.9
197.13280	1.8
199.14929	1.3
201.12743	2.7
207.13831	3.7
211.13271	4.9
215.14444	1.4
215.17859	1.9
219.13805	2.8
219.17311	1.0
229.19531	2.4
231.17406	1.0
233.19002	1.1
237.14877	1.0
239.18016	5.1
247.20547	4.1
251.11293	4.4
252.11630	1.2
257.19000	19.2
261.37601	1.0
263.24701	1.0
269.12363	24.5
270.12564	6.4
271.12183	3.0
274.12985	1.1
275.20065	100.0
276.20465	4.9
283.15375	1.4
285.10074	2.0
285.17056	3.6
292.13977	2.9
293.14337	1.2
293.21097	7.8
308.99942	0.9
349.19919	4.8
349.23746	49.7
350.23978	3.2
350.28549	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	349.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93762	2.2
53.03943	6.5
54.17808	2.2
55.01872	17.4
55.05263	3.8
55.05511	47.7
56.96553	8.7
57.03441	26.2
57.07063	2.7
61.02929	7.2
65.03931	3.2
67.05505	73.3
68.05830	2.7
69.03417	7.8
69.07065	53.3
70.59290	7.5
70.59637	2.4
71.04977	6.2
73.02921	4.8
77.03909	2.7
79.05491	92.2
81.03420	16.0
81.07058	66.5
82.03761	2.3
83.04987	12.3
83.08612	21.5
85.02904	9.9
85.06557	6.3
91.03945	4.3
91.05476	76.0
93.07042	67.6
94.67470	2.3
95.01341	4.0
95.04967	19.2
95.08605	47.2
97.02880	7.2
97.06544	27.0
97.10174	18.0
99.04444	2.7
99.08099	2.9
101.02374	2.3
105.07032	100.0
106.07385	2.5
107.04959	27.4
107.07859	4.6
107.08595	95.4
109.06537	13.3
109.10157	27.0
111.08060	7.1
116.98634	2.2
117.07008	29.1
119.08590	50.4
120.08096	7.3
120.08933	4.6
121.06529	10.2
121.10151	23.6
123.08051	8.6
123.11693	7.4
125.09636	22.4
127.03955	2.8
128.06264	3.8
128.43285	2.8
129.07011	8.4
130.07826	4.5
131.04935	2.5
131.08562	41.5
133.06502	3.0
133.10139	55.0
135.08032	12.3
135.11668	18.2
137.09605	6.0
141.06981	4.7
141.42421	2.5
143.08559	14.1
145.06467	4.7
145.10118	94.0
147.08014	5.5
147.11682	43.9
149.09627	29.3
149.13252	6.4
151.11153	3.6
153.12743	3.2
155.08557	4.1
157.10115	11.7
159.11682	29.4
161.09673	5.5
161.13223	11.8
163.11198	18.3
165.09123	3.3
165.12741	2.8
167.08534	4.9
169.10123	8.3
171.10345	4.4
171.11612	16.4
173.11919	2.9
173.13287	10.0
175.14896	3.1
177.12770	6.3
179.08539	3.2
179.14354	8.0
181.10095	2.9
183.11673	10.0
185.13275	7.9
187.11160	6.7
189.09746	2.2
189.11209	12.4
189.12700	3.2
193.12238	6.7
195.08037	3.7
195.11690	14.9
197.13239	10.6
201.16461	2.8
203.14316	2.8
205.10109	2.6
211.13103	3.0
219.17365	3.2
223.11270	2.8
229.19466	6.4
235.11137	3.4
237.12727	5.1
239.17981	18.8
243.90028	2.4
247.20566	5.2
251.11232	2.5
257.19006	56.0
258.19250	3.6
267.09058	10.1
267.62048	2.6
268.09485	5.0
268.16379	2.9
269.12445	15.8
275.20065	84.7
276.20343	4.0
285.10129	21.2
286.10410	11.0
293.21335	2.7
308.11670	4.5
331.22787	7.5
349.19861	3.3
349.24240	95.6
350.23831	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	349.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03693	1.1
53.03941	2.1
53.34640	0.9
55.01875	6.0
55.05516	15.3
56.96550	2.3
57.03190	1.0
57.03440	14.2
57.07066	2.7
65.03934	1.0
67.05507	27.8
69.03417	2.2
69.06722	1.2
69.07070	18.5
70.89112	1.3
70.89453	1.4
71.04983	3.4
71.31891	0.8
76.45242	0.9
79.05495	23.8
81.03397	0.9
81.06577	1.8
81.07058	35.0
83.04977	7.6
83.08629	5.7
85.02891	1.7
85.06538	2.0
91.05482	24.9
93.06469	1.8
93.07045	29.6
95.04966	8.4
95.08607	19.6
96.08949	0.9
97.02904	0.8
97.06517	4.5
97.10152	2.5
105.07030	29.9
107.04950	9.1
107.08591	18.8
109.06525	11.2
109.10156	7.8
110.10374	0.8
111.08078	1.6
117.07011	10.0
119.08591	15.1
120.08910	1.1
121.06497	12.3
121.10147	10.8
123.08041	5.4
123.11701	2.7
125.09607	2.1
127.15833	0.9
129.06993	2.8
131.08562	16.5
133.06471	3.5
133.10132	20.2
135.08064	5.5
135.11665	6.5
137.09631	2.2
137.13338	0.9
143.08583	3.3
145.06476	2.9
145.10129	14.5
147.08046	3.5
147.11670	11.8
149.09586	7.4
149.13240	2.7
151.11214	5.3
155.08539	1.9
157.10130	4.0
159.08041	2.1
159.11685	7.6
161.09666	4.7
161.13248	3.1
163.11166	6.7
169.10135	1.1
171.11703	2.7
173.09621	2.8
173.13243	6.2
175.11214	2.5
175.14897	1.4
177.12766	2.7
179.10672	1.0
183.11674	2.9
185.13263	2.3
187.11131	2.7
187.14783	1.4
189.12723	1.5
191.14308	3.6
197.13222	1.8
199.14725	1.0
201.12700	2.6
205.19514	1.6
207.13791	3.8
207.35817	0.9
215.14296	1.5
215.17946	2.7
219.13792	3.0
229.19542	3.1
233.18913	1.0
239.17986	4.5
247.20576	4.1
257.16412	0.6
257.19006	17.5
258.19299	1.5
275.20068	100.0
276.20407	8.4
283.08557	1.3
293.21143	10.6
349.23730	49.3
350.23969	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	349.1984
Annotation	(plusmn)-JWH 073 N-(3-hydroxybutyl) metabolite-d5
Peak:m/z	Relative Intensity
55.01868	0.7
55.05502	1.7
56.96555	1.4
57.03434	1.0
67.05508	3.0
68.05008	0.9
68.12965	0.5
69.03445	0.7
69.07072	2.9
70.15591	2.4
71.04987	1.2
79.05486	4.0
81.03385	0.8
81.07056	4.2
82.06567	0.7
83.04962	0.9
83.08604	0.6
84.08115	0.6
85.02904	1.4
85.06562	0.8
91.03925	0.7
91.05482	4.0
93.07043	3.3
95.01971	0.5
95.04967	1.8
95.08601	2.3
96.08130	5.5
97.02898	0.5
97.06534	0.9
98.97568	0.5
102.74405	0.5
105.07027	3.1
107.04979	0.8
107.08585	2.5
109.06503	1.1
109.10154	1.2
112.07603	2.1
117.06995	0.8
119.08574	3.2
121.10123	2.0
123.08058	0.6
125.09615	2.5
131.08580	1.7
133.10153	2.7
135.08051	0.7
135.11732	0.8
137.05807	1.3
138.09171	1.5
143.08583	1.1
145.10139	2.6
147.11676	0.9
149.09576	0.6
157.10185	0.7
159.11696	1.3
161.13290	0.8
163.11249	0.9
165.09084	0.6
171.11662	0.8
173.13300	0.8
178.12392	0.5
178.15956	0.6
187.80244	0.5
193.12117	0.7
193.96582	0.5
219.10718	0.7
221.11490	0.9
253.12901	2.3
257.19131	0.9
269.12363	1.5
271.13818	1.5
275.20120	1.9
300.67123	0.6
306.24216	0.8
308.21838	0.7
349.19861	100.0
349.23471	4.9
350.20093	1.7
350.23898	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	349.0894
Annotation	Pibocin B
Peak:m/z	Relative Intensity
53.11013	0.5
55.05507	1.4
67.07092	0.4
69.03426	0.9
69.07067	0.9
70.06580	0.7
70.19817	1.1
70.20210	1.1
71.04983	0.9
78.10529	0.5
81.03380	0.8
81.07053	2.2
83.04982	2.2
85.02895	1.6
86.09701	0.6
91.05490	0.8
95.08598	0.8
96.08097	0.5
97.02895	1.1
97.06505	0.8
99.08102	1.8
105.07066	0.5
107.08636	0.5
108.08130	0.6
109.02951	0.6
109.06548	0.5
109.10143	0.7
115.52893	0.5
119.04940	0.5
120.04475	1.5
124.07561	1.3
125.09591	0.6
127.03908	0.7
134.23761	0.4
137.00133	0.5
138.05528	0.6
140.07101	0.5
147.04376	1.2
148.07607	1.2
153.12755	2.1
166.05026	0.7
171.13824	1.0
174.05495	0.9
185.04228	0.9
187.03641	2.1
189.05441	0.8
190.05051	0.9
192.06551	0.6
196.07619	0.9
202.08946	0.5
223.61734	0.5
224.10709	0.7
234.99030	0.7
242.11803	0.9
247.04558	1.2
265.05670	1.5
267.11404	0.8
284.82559	0.5
285.12411	0.6
287.13947	1.0
303.13391	1.0
307.06662	1.3
313.11856	1.5
331.12912	5.7
348.27432	1.3
349.08948	100.0
349.27744	1.4
350.09290	2.4
359.10162	0.9
367.08807	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	349.1394
Annotation	Achillamide
Peak:m/z	Relative Intensity
55.01876	2.8
56.96554	0.5
67.05492	1.0
67.50733	0.4
69.03419	0.8
69.07069	5.2
69.71851	2.0
69.72263	0.9
70.06598	2.4
73.02921	0.6
75.69800	0.5
78.66928	0.4
79.05482	0.7
81.03419	0.6
81.07047	0.9
83.04980	0.8
83.08645	0.7
85.02890	1.2
86.09693	2.0
91.05472	0.8
93.07019	1.1
95.04949	1.4
95.08592	0.7
96.04510	0.6
97.02871	1.3
97.06564	0.7
98.06036	0.8
98.97596	0.8
105.07014	0.8
107.08593	0.7
108.04486	0.5
109.06481	0.6
110.06047	0.9
110.75885	0.4
119.08595	0.6
120.08124	0.6
121.10127	0.5
122.06043	2.4
124.03938	1.2
124.07648	0.5
125.09608	0.7
133.10107	0.8
134.06024	1.1
135.08054	1.1
136.03909	0.5
136.07574	0.8
140.07056	11.0
146.05971	1.3
148.03983	0.4
148.07521	1.0
149.01237	0.7
150.05513	1.0
154.08670	0.6
156.03644	0.8
160.07581	0.5
162.05487	1.2
164.07080	1.2
166.08733	0.4
168.06563	0.7
170.08156	0.4
170.09656	0.6
172.07631	0.6
172.11235	0.4
175.08646	1.4
176.07050	0.6
177.06656	0.9
178.08664	3.5
182.08231	0.7
182.09885	0.4
183.09236	0.4
186.09149	0.9
187.08604	1.0
190.05045	0.9
192.06548	0.6
193.75391	0.4
194.08110	0.5
198.09152	1.2
199.08693	1.7
200.07079	1.0
200.10788	1.1
201.10287	1.2
202.08691	0.5
203.08127	1.4
204.08937	0.5
206.08012	0.5
211.08635	1.3
211.12212	0.8
212.10851	0.9
213.10278	0.8
214.08691	1.3
215.08160	2.6
215.11755	2.5
217.09720	6.6
217.13086	0.5
225.10321	1.3
226.08640	0.9
227.11809	0.8
228.10219	1.4
229.09676	2.3
229.13344	0.4
230.10435	0.8
231.11293	4.0
239.11803	2.6
240.10223	0.9
241.09839	1.2
242.11905	1.0
243.07724	0.8
243.11339	5.7
244.09692	2.7
245.09196	0.8
245.12967	1.1
255.11264	0.6
256.09656	1.0
257.09293	2.2
257.12885	3.3
258.10022	0.6
259.10806	1.4
261.12387	1.2
267.11298	3.6
268.08890	2.3
271.10794	8.8
272.09048	0.5
273.12372	6.9
274.10745	0.6
275.10342	0.9
285.09509	1.3
285.12415	6.6
286.10687	2.1
287.13950	1.0
289.11841	9.1
291.13330	0.5
295.10779	3.9
301.11661	1.2
303.13425	4.9
305.15182	0.5
307.12833	1.6
313.08334	0.7
313.11835	7.6
313.25461	0.6
319.12894	18.1
320.13162	1.0
321.14496	1.8
331.12866	17.1
331.26721	0.7
333.01843	0.5
347.72406	0.5
349.13962	100.0
349.27719	3.5
350.14258	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	349.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76244	2.6
52.79505	2.6
52.95155	3.2
55.07887	2.6
56.17089	2.4
56.96556	11.8
57.03428	5.8
60.33529	3.0
61.02682	2.7
61.02924	26.6
69.03415	12.2
70.93278	4.2
70.93604	6.4
73.02918	8.4
79.04986	2.6
84.96023	2.6
85.02907	22.5
97.02869	12.6
98.97564	21.1
101.00871	13.6
104.01260	4.0
105.80220	3.5
113.00889	5.3
116.01278	3.6
116.98619	6.1
119.01921	58.0
125.01802	6.5
127.03902	7.9
128.98593	7.4
131.00194	4.3
131.01900	32.1
133.03479	8.5
134.02295	13.5
134.99655	5.7
137.02979	7.3
143.01917	5.5
143.02866	25.2
145.03525	5.9
146.99631	7.3
149.01216	4.8
149.02940	7.7
150.01799	7.6
152.03336	5.6
155.01840	7.3
156.03587	7.2
158.99713	6.6
161.02921	14.1
168.01837	3.7
168.99785	16.2
170.99786	3.3
173.01270	3.2
173.02960	14.6
174.99127	3.2
177.00720	7.7
177.02238	5.0
177.04195	4.5
177.54276	5.8
180.99922	6.1
184.03130	3.0
186.04721	14.1
186.54857	8.0
187.00899	22.1
187.04878	5.6
189.00716	5.3
191.03976	10.3
196.99280	8.0
198.02855	6.9
199.00893	10.7
207.03439	7.2
209.03558	3.9
215.00359	46.9
219.01743	4.5
219.03520	9.1
219.45587	2.8
227.04225	3.2
228.03899	34.5
228.05751	4.0
228.54115	5.4
229.01973	15.0
231.03513	7.4
237.02469	3.2
237.04410	21.8
237.06378	6.7
239.05927	3.5
241.01962	5.1
247.00821	5.4
247.03058	59.0
248.55334	3.2
250.05339	5.8
259.02969	17.7
259.07111	4.8
267.57507	12.9
268.07599	3.6
270.04523	4.4
277.04001	6.1
289.04004	9.7
317.03500	9.2
335.07306	3.1
344.01385	3.1
349.08792	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	348.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.6
55.01866	3.4
55.05510	23.2
56.96558	4.0
57.03429	9.0
57.07060	2.3
59.04985	5.3
61.02907	5.4
61.66138	1.6
67.05506	68.4
69.03413	6.3
69.07067	12.3
70.17932	9.1
71.04994	5.2
71.08624	8.6
72.99267	2.0
73.02898	4.2
75.37499	1.7
77.00903	1.9
77.04605	1.6
79.05486	15.8
81.03401	10.1
81.07056	38.5
83.04974	6.7
83.08628	21.6
85.02887	8.1
85.06533	5.3
86.97772	1.8
91.03965	4.0
91.05489	14.4
93.07042	24.4
94.57800	1.7
95.04948	7.4
95.08115	1.9
95.08610	18.2
97.02873	5.5
97.06517	6.3
97.10180	13.5
99.08099	6.3
103.03960	2.1
105.07045	15.2
107.04979	2.7
107.08602	17.4
109.02840	1.7
109.06501	5.2
109.10152	63.3
111.08059	6.6
117.07006	4.0
119.08571	14.7
121.10143	7.7
123.11682	2.2
125.09628	12.0
129.06950	2.5
131.08548	7.5
133.10129	11.5
135.08034	3.5
135.11668	6.7
136.94682	2.0
137.09607	5.3
139.07469	2.0
143.08585	2.1
145.10126	5.8
145.54056	2.0
147.11681	9.1
149.09555	3.1
149.13229	7.7
151.11172	5.2
155.10648	10.7
159.11668	5.6
161.13223	5.2
163.11160	3.2
165.09123	3.1
171.11693	2.3
173.11740	100.0
175.11185	2.1
177.12700	2.6
179.14371	2.3
185.13156	2.4
189.11186	12.9
190.14438	2.7
193.12227	4.9
195.08606	2.2
195.13817	17.2
211.13271	2.9
213.14833	10.3
229.04478	1.9
241.19646	1.8
249.22153	2.0
251.11246	7.3
255.09087	2.1
257.19058	3.4
259.20520	3.2
269.12347	34.1
270.12503	3.7
275.20047	5.7
277.21628	27.2
285.10080	6.2
292.13736	4.3
295.22702	16.5
348.22241	2.2
349.19983	2.9
349.23715	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	348.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71394	1.3
53.03932	1.6
56.96563	2.3
57.03438	1.9
60.04525	2.0
61.02914	3.3
69.03429	9.0
69.07102	1.8
70.02905	1.4
70.06576	2.2
70.38046	4.2
70.38444	3.7
71.04941	1.7
79.05494	2.4
81.03400	2.6
81.07053	2.1
84.04495	2.6
85.02904	27.5
86.09702	36.4
91.05470	12.6
95.04946	2.8
97.02885	9.6
98.78912	1.4
99.04443	2.8
116.98613	1.9
119.04939	14.2
120.64397	1.6
127.03883	2.5
136.06154	3.7
139.07523	2.0
145.02028	1.5
145.04974	3.9
151.07539	100.0
168.06564	1.5
168.10158	4.7
169.08592	12.2
177.00702	1.7
186.07576	2.1
186.11308	7.4
219.13245	1.6
225.12361	5.0
229.61526	1.8
247.04709	1.9
265.05457	1.6
301.09897	2.1
330.16492	2.8
348.17053	16.7
349.09012	34.6
361.42630	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	348.2745
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
50.32393	0.8
53.03941	1.5
55.01863	1.3
55.05507	4.6
56.05022	2.5
56.96558	1.0
57.03436	1.6
60.04528	100.0
67.05170	1.2
67.05505	11.8
68.05028	0.7
69.03418	2.3
69.07076	5.3
70.06581	2.5
71.04977	1.9
71.60519	0.8
71.60938	1.2
72.04504	3.0
72.08148	0.8
73.02900	0.7
74.06068	2.0
76.68597	0.8
78.44287	0.7
79.05492	9.1
80.05013	1.6
81.03397	1.6
81.07056	15.1
82.06570	2.1
83.04968	1.7
83.08614	2.0
84.04522	1.9
84.08142	1.5
84.21162	0.7
85.02895	1.5
85.06535	1.5
86.06065	1.7
86.09698	2.2
86.31889	0.8
89.06036	1.7
90.05558	1.6
91.05477	10.4
93.07036	12.9
94.06553	3.2
94.07365	0.8
94.33469	0.8
95.04964	2.5
95.08608	10.1
97.02898	1.2
97.06517	1.8
97.10168	1.4
99.04428	1.1
99.08110	1.2
100.11234	2.2
103.05493	1.0
105.07053	6.8
107.08587	5.5
108.08112	1.7
109.06509	1.7
109.10175	4.6
110.06038	1.3
111.86995	0.8
112.07664	1.0
116.07072	1.0
117.07014	1.3
119.08604	6.4
120.08124	1.2
121.06490	2.4
121.10154	5.4
122.09655	1.8
123.08067	1.8
123.11709	2.6
124.03961	1.8
124.07572	1.3
125.09606	1.9
128.07066	1.2
129.06993	1.4
131.08548	2.9
133.10097	4.1
135.08092	1.2
135.11694	2.8
136.07558	2.9
143.08568	1.6
145.10120	2.7
146.06023	1.1
147.11681	3.3
149.09601	1.0
149.13248	1.1
151.11183	1.5
157.10112	1.1
159.11703	1.1
161.13252	1.7
162.05551	1.4
163.11226	1.6
164.07121	1.4
169.12288	1.6
171.11664	1.0
173.13161	1.0
175.14835	1.2
185.13275	0.8
211.08638	1.0
217.19534	0.9
241.09805	1.5
260.04636	0.9
269.12680	0.8
273.12366	0.8
276.23236	3.9
276.72983	0.9
294.24274	4.6
300.12823	2.0
305.14978	1.7
312.25305	11.7
313.11679	1.3
313.18063	1.4
330.26389	54.6
331.12735	1.5
331.26636	1.8
342.12241	1.1
347.94992	0.8
348.13699	1.0
348.22952	1.9
348.27441	41.1
349.13977	0.8
349.20193	1.4
349.27722	1.6
373.13882	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	347.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86829	3.1
53.03943	5.9
55.01860	11.6
55.05503	18.3
55.17602	3.0
56.96573	3.3
57.03442	3.6
59.04989	3.8
60.04515	10.4
67.05503	89.4
68.05820	3.2
69.03418	12.7
69.07072	27.0
70.59155	2.8
71.04989	40.2
71.59036	5.3
79.05491	59.3
81.03408	7.4
81.07058	93.7
82.26784	2.9
83.04963	8.7
83.08607	9.7
85.02908	8.4
85.06536	22.5
91.05486	63.9
93.07035	71.8
95.04951	11.9
95.08605	100.0
97.02859	4.6
97.06543	18.8
97.10139	5.5
98.97642	2.8
99.08083	20.5
100.07631	3.2
105.07023	49.7
107.04969	5.1
107.08590	36.5
109.06512	8.9
109.10150	43.2
111.08072	12.3
113.09630	8.0
117.07017	19.1
119.08575	68.6
120.08114	3.7
121.06497	10.3
121.10140	51.9
123.08060	35.8
123.11668	8.2
125.05985	5.7
125.09632	12.0
127.07580	3.6
129.07011	9.5
131.08531	29.5
133.10123	34.4
135.08051	12.0
135.11684	46.8
137.09592	30.2
139.07509	4.4
139.11159	4.7
141.09050	4.0
143.06979	5.0
143.08539	3.5
143.41945	3.7
145.10161	21.9
146.06050	7.2
147.08051	16.3
147.11684	27.9
149.09595	9.8
149.13263	17.2
151.07542	11.3
151.11140	4.3
153.09122	8.3
155.08577	4.3
157.10132	9.7
159.11684	14.5
161.09601	11.6
161.13290	16.7
163.11215	7.5
165.09073	11.2
169.08746	3.6
169.10042	5.0
169.12288	4.6
171.10260	5.1
171.11707	9.0
173.09644	4.2
173.13237	17.9
175.11168	5.8
175.14737	4.3
179.10643	4.8
181.12215	7.1
183.10158	7.2
183.11662	4.0
185.15306	4.5
187.11130	7.9
191.14281	3.9
193.12112	5.5
201.11221	10.9
215.17905	6.4
229.19545	8.4
233.18843	3.8
239.17935	14.1
251.20050	5.5
257.18970	12.7
275.20016	43.2
293.21082	46.7
311.22156	21.4
315.13474	7.4
329.17413	10.8
329.23337	10.3
330.26279	12.1
347.15848	12.1
347.22308	5.1
347.25949	6.8
347.29828	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	347.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.4
54.49249	2.2
55.01873	4.2
55.05510	12.4
56.96555	8.7
57.03428	5.8
57.07064	3.1
61.02933	3.4
67.05511	16.4
69.03425	10.6
69.07068	6.4
70.56463	3.3
70.56812	10.0
71.04986	3.8
71.66934	2.4
73.02918	3.8
79.05494	17.4
81.03413	7.9
81.07065	29.4
83.04985	13.6
83.08618	6.1
85.02902	5.6
85.06548	5.3
91.03941	7.1
91.05485	21.0
93.06474	4.0
93.07044	48.1
95.04967	21.9
95.08611	13.4
97.02868	2.9
97.06523	8.5
105.07021	26.5
107.04943	4.9
107.08595	40.8
109.06506	17.3
109.10167	19.2
111.04448	2.8
111.08096	3.3
117.07008	6.5
119.08571	19.1
121.06495	17.5
121.10146	20.4
123.08051	32.0
125.05975	15.5
125.09650	5.0
128.86098	3.0
131.08582	22.2
133.06441	6.1
133.10110	9.6
135.08035	9.1
135.11726	3.6
136.14462	2.7
137.05968	5.2
137.09601	8.3
139.07535	7.5
143.08565	6.8
144.25194	2.6
145.06427	3.1
145.10144	9.2
147.08052	4.3
147.11705	9.1
149.09634	26.3
151.07542	76.5
156.09268	3.9
157.06473	2.7
157.10130	6.9
159.11717	7.2
161.09641	6.9
163.11172	6.6
165.09120	5.6
167.07069	5.7
167.10684	18.7
169.10086	3.9
171.11681	5.5
173.09558	4.5
173.13232	6.8
175.11139	6.6
177.09099	5.8
181.08562	4.3
181.12129	3.2
185.13257	3.5
189.09206	3.2
189.12756	24.0
191.14290	4.5
193.10497	2.9
193.12294	3.7
199.14757	2.7
201.12764	3.7
207.13815	41.7
213.12823	2.9
215.14311	5.5
229.07359	4.0
229.12392	3.2
233.15329	3.9
237.14716	12.8
239.11368	3.7
255.09039	3.0
257.12338	3.9
267.08994	6.5
269.12360	3.2
273.14917	7.5
283.15555	5.3
285.11963	5.6
290.12228	3.7
291.15836	3.5
326.53076	3.6
329.17273	5.9
329.21136	16.6
347.15213	5.1
347.18265	73.6
347.22217	100.0
348.22464	3.1
360.12714	2.8
365.16098	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	347.2192
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05490	1.9
57.07054	1.8
67.05476	1.5
71.60699	2.4
74.06059	1.2
79.05497	1.9
81.07069	1.4
88.07609	3.7
91.05495	1.7
93.07021	2.5
95.04923	1.7
95.08579	2.1
98.31583	1.4
115.05965	1.5
119.08595	2.6
121.10123	2.3
133.10168	2.8
135.08032	1.4
135.42871	1.2
140.47614	1.2
193.64218	1.4
249.14662	1.5
262.04260	1.6
274.70978	1.4
299.31485	4.0
347.21924	100.0
347.33490	20.2
347.77521	2.1
348.22308	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	347.2214
Annotation	(-)-Chimonanthine
Peak:m/z	Relative Intensity
53.03948	5.1
54.36650	3.1
55.01864	5.5
55.05505	9.2
56.96559	8.0
57.03440	7.5
59.04976	4.8
61.02933	6.5
67.05502	21.4
69.03429	13.1
69.07059	9.4
69.90508	16.5
71.04999	3.6
73.02905	3.9
79.05499	21.2
81.03419	5.7
81.07047	36.3
83.04981	9.3
83.08608	4.6
85.02898	12.1
86.34637	3.7
91.03941	4.8
91.05486	24.5
93.07044	50.1
95.04990	22.2
95.08604	16.3
97.02892	7.6
97.06532	12.9
105.07033	36.5
107.08606	42.4
109.06515	15.9
109.10162	18.6
111.08098	4.5
117.07081	5.4
119.08585	22.8
121.06513	14.7
121.10165	25.1
123.04401	6.0
123.08067	29.1
125.06040	10.1
127.03934	4.0
129.06975	5.6
130.07799	3.3
131.08575	24.5
133.06474	8.1
133.10146	20.5
135.08083	6.1
137.06024	7.8
137.09607	6.7
143.08551	7.4
145.10101	18.6
147.08044	8.2
147.11691	7.5
149.09608	23.9
151.07564	67.1
155.08505	3.6
156.09344	4.0
157.10115	14.6
159.08104	3.9
159.11784	6.7
161.09657	8.1
161.13248	4.8
163.11179	5.9
165.09122	6.5
167.10666	22.7
167.44177	3.5
171.11696	7.5
173.09647	6.9
173.13297	9.1
175.11234	4.8
177.09183	4.7
183.11676	4.9
189.12717	29.6
193.12260	7.0
195.11752	5.4
197.13264	5.0
199.14856	6.1
201.12706	4.6
207.13797	37.5
209.13295	4.2
215.14252	6.4
217.12401	5.2
237.14879	10.8
251.11205	3.6
267.09241	6.2
267.15906	8.8
269.12424	7.3
273.14734	6.8
283.08432	7.6
285.10138	12.3
291.16006	4.4
301.09607	9.7
311.20065	7.8
328.58514	3.2
329.20987	24.5
347.18381	6.4
347.22144	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	347.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
55.01878	2.3
55.05510	1.5
56.96557	1.1
57.03436	0.6
67.05520	1.0
69.03430	1.3
69.07072	0.7
71.04984	1.1
72.08157	0.5
74.06075	0.6
76.31073	0.4
79.05495	1.3
81.03435	1.3
81.07066	2.4
82.06580	0.4
83.08615	1.2
85.02889	2.4
86.09710	0.7
91.05483	1.2
93.07061	1.7
95.04961	0.8
95.08639	0.9
97.02889	1.2
97.06510	0.6
98.97594	0.9
99.04477	1.0
105.07043	0.9
107.04971	0.6
107.08591	0.7
109.02904	1.0
109.10150	0.9
111.04471	0.7
116.98653	0.7
117.07051	0.5
119.08585	0.7
120.08122	0.4
121.06537	0.7
121.10140	1.3
122.05986	0.5
123.08088	0.6
123.11702	0.6
125.09598	0.5
127.03909	1.0
131.08624	0.8
138.05544	0.6
143.08452	0.6
152.03403	1.0
160.03970	0.7
161.01233	0.4
161.04716	0.6
162.05458	0.4
163.02655	0.5
167.07153	0.7
167.10741	1.0
167.14398	0.4
176.07082	0.9
177.00854	0.5
177.81165	0.5
178.05008	1.4
182.09601	0.4
183.80409	0.4
185.07127	1.4
185.11664	3.0
187.04948	1.0
198.10884	0.6
199.08632	2.1
200.09416	0.5
201.06622	1.8
201.10323	0.6
205.06169	0.5
210.09227	0.6
211.08673	0.9
213.06711	2.8
213.10240	2.8
216.12027	1.8
227.08173	2.9
227.11766	1.1
229.09782	1.4
231.07683	1.8
237.10300	1.2
238.08618	1.4
239.08104	0.8
241.02023	0.5
241.09683	3.2
245.09184	1.0
255.07626	4.5
255.11227	3.5
257.09253	1.0
259.10898	0.5
265.09698	2.2
267.07877	0.8
267.11203	0.4
268.09573	0.4
269.09186	5.4
273.08743	2.9
273.12061	0.6
283.07822	0.4
283.10776	11.2
287.10251	1.2
293.09308	2.4
301.11966	2.0
311.10287	18.6
312.10648	1.3
319.13013	0.9
329.11328	29.0
329.25186	0.5
330.11588	2.2
347.12396	58.2
347.16797	100.0
348.12708	4.3
348.17087	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	347.1312
Annotation	Nordercitin
Peak:m/z	Relative Intensity
52.03129	0.9
64.39429	1.0
68.62421	1.2
69.03429	2.4
69.07072	1.2
70.49360	3.2
70.94080	1.0
81.03394	1.0
81.07024	1.4
84.04498	1.6
84.08109	1.3
85.02911	4.7
86.09673	1.6
91.05439	1.4
91.50945	0.9
93.07046	1.2
97.02850	2.1
98.97572	1.1
102.96822	0.9
104.55927	0.9
109.06550	1.2
116.98526	1.0
126.05521	1.2
132.10162	1.2
144.06577	1.6
167.06795	2.5
179.20210	1.0
185.04207	2.7
185.07840	11.1
189.08673	1.2
202.33028	1.1
203.05295	5.3
209.13774	1.0
209.66618	0.9
213.03600	1.0
246.01929	1.7
285.13074	3.1
301.12601	20.3
319.12289	1.2
329.11481	1.5
347.13098	100.0
347.16867	15.7
348.13437	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	347.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	3.4
55.05507	0.6
56.96603	0.5
57.03423	0.7
67.05507	0.8
69.03449	0.7
69.07079	0.7
69.45135	3.1
69.45562	1.0
70.37239	0.5
70.62058	0.5
71.04985	0.7
75.10652	0.4
79.05491	0.7
81.07057	1.3
83.08623	0.7
84.04443	0.5
85.02898	0.7
85.06552	1.3
86.09685	0.5
91.05482	0.7
93.07043	0.5
94.06623	0.5
95.04981	0.9
98.06059	0.5
98.97581	0.6
105.07037	0.6
107.08597	0.7
108.04522	1.0
109.10154	0.8
110.06049	0.7
115.05514	0.5
119.08599	1.0
121.10152	0.8
122.06049	0.7
127.07584	0.6
129.07076	0.6
130.06531	0.7
131.05974	0.5
131.08559	0.5
137.06018	0.6
138.05501	0.8
143.08595	0.5
144.02806	1.2
146.06027	0.7
149.13303	0.6
152.03436	1.3
153.05554	0.6
155.00981	0.5
156.08073	0.6
160.03996	1.3
161.04730	0.7
162.05490	0.9
167.07208	0.9
167.10562	0.5
168.06699	0.6
168.08086	1.1
169.07593	0.6
169.08972	0.6
170.08318	0.8
171.09190	0.8
172.07611	0.8
176.07092	1.4
178.05020	2.8
182.09708	0.8
183.09305	1.1
184.06238	0.7
184.07695	1.1
185.07118	2.0
185.10765	1.5
186.09212	0.7
187.03493	0.5
187.05075	1.7
190.08565	0.5
193.12265	0.9
195.09267	0.7
196.07555	0.7
197.07129	1.0
198.07761	0.6
198.09360	0.8
199.08673	4.4
199.12430	0.6
200.10835	0.7
201.06607	3.1
201.10258	1.9
205.06071	1.0
209.07111	0.6
209.10849	1.0
210.09200	2.0
211.08624	1.4
212.09467	1.3
213.06638	5.0
213.10216	4.7
214.08788	0.8
215.08252	0.6
215.11855	0.7
219.07614	1.0
222.07875	0.9
223.08598	0.7
225.06422	0.6
227.08148	6.9
227.11667	2.7
228.06570	0.7
228.10310	1.1
229.09656	2.3
231.07614	4.1
237.10196	3.3
238.08722	2.5
238.10854	0.7
239.08223	1.6
239.11758	0.9
240.10225	0.7
241.09743	6.4
243.07573	1.1
243.11320	1.5
245.09280	1.4
251.07973	0.6
255.07683	9.1
255.11301	6.3
256.09702	0.7
257.09253	2.3
257.12781	1.4
259.07193	1.2
259.10733	2.5
265.09698	4.0
266.07962	0.8
267.07660	2.1
269.09235	8.1
273.08725	5.9
273.12051	0.7
275.10355	1.3
275.13614	0.7
278.06836	0.6
283.10767	19.6
287.10287	3.3
293.09189	6.2
296.08377	0.5
301.11826	3.9
303.12943	0.6
311.10254	40.0
312.10486	2.0
315.13388	3.6
319.12885	2.0
324.63989	0.5
329.11313	69.3
330.11658	4.0
347.12360	100.0
348.12726	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	347.1239
Annotation	Miraxanthin-V
Peak:m/z	Relative Intensity
50.37372	0.4
52.77244	0.4
55.01877	3.4
55.05513	0.9
55.84479	0.4
56.00525	0.4
56.96560	0.4
67.05518	1.0
69.03413	0.5
69.36697	4.2
79.05477	0.6
80.00972	0.4
81.07081	1.0
95.08648	0.5
96.04566	0.5
97.02908	0.5
98.21442	0.8
107.04962	0.4
107.08588	0.6
108.04507	0.5
109.02908	0.5
109.06535	0.4
110.06020	0.7
129.07004	0.5
134.06015	0.6
138.05516	0.4
140.07132	0.5
143.08589	0.4
144.08095	0.6
146.05983	0.5
147.11732	0.5
148.03964	0.5
148.07555	0.5
152.03427	1.0
158.09621	0.5
158.91031	0.4
160.03940	0.7
161.04688	0.6
162.05531	1.2
167.07170	1.1
167.10695	0.6
168.06586	0.6
168.08087	0.7
170.08406	0.5
172.07608	0.7
175.07535	0.7
176.07057	1.1
178.05017	2.4
182.09697	0.7
183.09166	0.8
184.06255	0.5
184.07692	0.7
185.07121	2.1
185.10760	1.3
186.09177	0.9
187.05046	1.8
196.07512	0.6
197.07169	1.4
198.07826	1.1
199.08670	5.1
200.10907	0.6
201.06604	3.2
201.10197	1.9
204.06630	0.7
205.06143	0.9
207.88321	0.5
209.07127	0.6
209.10832	1.1
210.09148	1.5
211.08650	2.1
212.07321	0.4
212.10944	0.7
213.06638	5.2
213.10197	4.2
214.08820	0.5
215.08127	0.6
216.12016	0.5
219.07697	0.9
222.07768	0.6
223.08615	0.6
225.06557	0.6
227.04567	0.5
227.08182	6.5
227.11624	2.5
228.06714	0.5
228.10400	0.6
229.09808	3.0
229.13385	0.5
231.07632	4.0
237.06554	0.5
237.10257	2.4
238.08650	1.5
239.08220	1.5
239.11916	0.8
240.10269	0.4
241.06082	0.9
241.09737	5.9
243.07675	0.7
243.11317	1.3
245.09267	1.8
250.07343	0.9
251.08086	1.2
255.07710	9.5
255.11317	6.5
257.09244	1.8
257.12894	1.1
259.07135	1.1
259.10892	1.0
265.09702	3.7
266.08118	1.4
267.07568	2.1
268.10056	0.6
268.41275	0.4
269.09213	8.1
273.08734	4.5
273.11862	0.8
275.10287	1.1
275.13885	0.5
283.07465	0.9
283.10776	19.4
284.08929	0.6
285.12399	0.6
287.10278	3.5
293.09244	6.1
301.11859	4.1
311.10257	38.8
312.10617	1.9
319.12872	1.5
329.11313	54.2
330.11716	3.4
347.12424	100.0
347.16663	11.2
348.12701	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.6
56.24965	4.0
56.96561	14.6
57.03418	9.2
57.07074	5.0
61.02919	5.5
65.05233	3.7
67.05181	5.4
67.05508	73.9
69.03419	9.2
69.07076	28.0
70.04212	20.0
70.04635	8.6
70.38402	4.3
71.04986	4.2
72.98883	3.9
79.05508	36.3
81.07068	59.8
83.04964	8.7
83.08610	18.0
85.02885	6.0
85.06531	5.7
91.05474	30.0
93.07063	28.5
95.04986	7.8
95.08617	35.3
95.75705	4.6
97.02894	6.6
97.06530	17.4
97.10189	10.8
98.21391	7.2
98.97579	29.1
105.07038	28.4
107.04987	4.7
107.08597	47.0
109.06522	9.7
109.10147	63.3
111.08076	8.3
116.98650	29.4
117.07019	8.6
119.08569	27.3
121.10181	25.4
121.10930	4.0
123.08059	5.5
123.11719	6.9
125.09638	10.9
131.00194	10.0
131.08563	14.3
131.88568	4.9
133.06447	4.8
133.10129	20.0
134.99643	15.0
135.08063	7.7
135.11668	8.9
137.06020	4.3
137.09608	5.8
144.96890	4.7
145.10124	15.0
146.99673	7.1
147.11714	10.0
149.01210	13.4
149.09625	9.8
149.13237	6.6
155.10692	15.4
158.99667	11.3
159.11697	12.7
163.11186	5.7
165.12711	4.6
173.01204	15.6
173.11757	100.0
175.11218	4.5
177.00716	20.4
189.11230	18.4
191.02295	17.2
195.01642	5.4
195.13794	15.6
197.13129	5.1
202.98651	9.6
213.14911	14.9
213.45897	4.1
219.01802	9.8
229.07455	7.1
235.17003	14.3
244.99620	9.0
247.08649	8.3
255.11328	6.2
257.18951	7.9
263.00809	5.6
275.20074	52.7
293.21048	11.8
346.06326	5.4
346.27548	10.8
347.18533	8.1
347.22458	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	346.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	21.6
56.24965	4.0
56.96561	14.6
57.03418	9.2
57.07074	5.0
61.02919	5.5
65.05233	3.7
67.05181	5.4
67.05508	73.9
69.03419	9.2
69.07076	28.0
70.04212	20.0
70.04635	8.6
70.38402	4.3
71.04986	4.2
72.98883	3.9
79.05508	36.3
81.07068	59.8
83.04964	8.7
83.08610	18.0
85.02885	6.0
85.06531	5.7
91.05474	30.0
93.07063	28.5
95.04986	7.8
95.08617	35.3
95.75705	4.6
97.02894	6.6
97.06530	17.4
97.10189	10.8
98.21391	7.2
98.97579	29.1
105.07038	28.4
107.04987	4.7
107.08597	47.0
109.06522	9.7
109.10147	63.3
111.08076	8.3
116.98650	29.4
117.07019	8.6
119.08569	27.3
121.10181	25.4
121.10930	4.0
123.08059	5.5
123.11719	6.9
125.09638	10.9
131.00194	10.0
131.08563	14.3
131.88568	4.9
133.06447	4.8
133.10129	20.0
134.99643	15.0
135.08063	7.7
135.11668	8.9
137.06020	4.3
137.09608	5.8
144.96890	4.7
145.10124	15.0
146.99673	7.1
147.11714	10.0
149.01210	13.4
149.09625	9.8
149.13237	6.6
155.10692	15.4
158.99667	11.3
159.11697	12.7
163.11186	5.7
165.12711	4.6
173.01204	15.6
173.11757	100.0
175.11218	4.5
177.00716	20.4
189.11230	18.4
191.02295	17.2
195.01642	5.4
195.13794	15.6
197.13129	5.1
202.98651	9.6
213.14911	14.9
213.45897	4.1
219.01802	9.8
229.07455	7.1
235.17003	14.3
244.99620	9.0
247.08649	8.3
255.11328	6.2
257.18951	7.9
263.00809	5.6
275.20074	52.7
293.21048	11.8
346.06326	5.4
346.27548	10.8
347.18533	8.1
347.22458	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	346.2588
Annotation	Broussonetine D
Peak:m/z	Relative Intensity
53.03948	0.5
55.01851	1.1
55.05512	2.5
56.05023	1.2
57.03430	1.1
58.06591	0.7
60.04533	2.4
63.64321	0.3
65.03928	1.4
67.05173	0.6
67.05505	8.7
68.05013	0.4
69.07058	2.1
69.87280	1.5
69.87691	0.9
70.06590	7.4
71.04974	0.3
71.06963	0.3
72.08152	2.2
74.06042	0.4
79.05491	4.3
81.03399	0.6
81.07058	6.1
82.06573	1.5
82.52036	0.3
83.04939	0.5
83.08598	0.8
84.04503	0.5
84.08133	1.2
85.02887	1.3
85.06520	0.8
86.09696	3.1
86.99057	0.4
87.00839	0.4
88.03997	0.5
91.05476	2.0
92.04999	4.1
93.07051	4.2
94.06590	1.0
95.04960	1.6
95.08044	0.5
95.08604	5.6
96.04494	0.7
96.08115	4.1
97.02879	0.8
97.06536	1.2
98.09694	3.7
98.97559	0.9
99.08014	0.4
105.07019	1.6
106.06554	0.4
107.04968	0.4
107.08567	2.0
108.04517	0.5
108.08125	0.4
109.06480	0.4
109.10151	1.7
110.06044	0.5
110.09678	1.1
111.04422	0.4
111.08067	0.5
112.07595	0.5
114.09162	2.6
116.98666	0.5
119.08579	0.9
120.04464	2.3
121.10159	1.7
122.05992	0.7
123.11722	0.5
124.07601	0.4
124.11207	0.6
125.05952	0.4
127.07597	0.4
129.06981	0.4
129.10265	0.4
131.01622	1.4
131.08566	0.7
133.10132	0.8
134.06029	0.4
135.11678	0.8
136.07578	0.6
137.05974	0.9
138.05486	4.6
138.09120	2.6
138.12785	1.0
140.06018	0.4
142.08669	0.6
147.11700	0.6
149.09572	0.5
149.13272	0.5
152.14333	0.6
157.03624	0.4
162.05513	0.5
164.07092	2.8
164.11650	0.4
164.61183	0.4
165.12775	0.4
166.05009	3.3
167.10564	0.5
168.06573	0.3
170.06117	0.5
170.09628	1.0
171.09180	0.4
178.05000	0.8
180.08176	0.6
182.08176	2.4
182.98915	0.4
183.06699	0.4
185.01250	0.4
185.07039	0.4
185.11723	1.5
186.09158	0.4
187.08965	0.5
187.10716	1.9
196.07532	0.9
198.09178	3.2
199.08627	1.1
200.09424	0.4
201.10397	0.7
201.12367	2.7
205.06796	0.4
210.09305	0.4
212.10815	0.5
213.06517	0.4
213.10219	2.9
213.63495	0.4
214.08585	1.1
215.08197	0.4
215.10309	0.5
216.10269	0.4
223.08777	0.4
225.76685	0.3
226.06729	0.4
226.08707	6.1
227.08083	1.8
227.11813	0.7
228.08864	0.5
229.09755	0.8
229.11826	0.7
237.02841	0.4
237.10173	0.4
238.08714	0.8
240.10266	1.6
241.09714	9.5
242.10512	0.7
248.23737	14.0
249.24144	1.0
255.09021	0.4
255.11302	2.5
256.09741	1.0
258.11365	0.7
259.10822	1.7
260.11481	0.7
264.23221	24.5
265.09653	0.8
265.23541	1.1
266.21896	0.5
266.24805	5.2
267.11194	0.4
267.25150	0.5
268.09851	2.0
269.09256	1.9
273.12329	0.8
274.21585	0.9
282.24255	6.5
283.10709	2.4
284.09149	1.0
284.23102	0.5
284.25839	3.2
286.10773	1.7
287.10272	5.8
292.22748	3.7
293.08969	0.5
300.25293	4.5
301.11844	5.2
310.23749	11.5
311.10287	1.6
311.23978	0.7
319.12930	1.9
328.24832	14.4
329.11136	2.9
329.25073	0.8
346.25879	100.0
347.12378	43.7
347.21573	1.0
347.26230	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	346.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.4
55.05288	0.4
55.05509	3.5
56.05024	0.9
56.96560	0.4
57.03428	0.9
58.06585	0.8
58.99588	3.0
60.04524	5.0
65.03931	0.6
67.05171	0.6
67.05504	7.6
68.05032	0.4
69.03413	1.7
69.07063	3.0
70.06591	7.5
71.04990	0.9
71.58390	0.6
72.08141	1.1
73.02901	0.6
74.06067	0.5
79.05492	4.8
81.03420	0.7
81.07058	8.0
82.06573	1.7
83.04956	0.6
83.08627	2.2
84.04473	0.4
84.08125	1.3
85.01122	1.2
85.02893	1.8
85.06513	1.1
86.09702	1.8
86.99041	2.7
87.00824	0.4
87.04418	0.5
87.30157	0.4
89.00633	0.5
91.05486	2.7
93.07047	4.8
94.06557	1.1
95.04945	2.0
95.08598	5.7
96.08130	3.9
97.02893	1.2
97.06514	0.6
97.10164	0.6
98.09689	4.3
98.97581	1.6
105.07005	2.1
107.04955	0.8
107.08587	2.9
108.08091	0.5
109.06506	1.1
109.10146	2.6
110.06014	1.0
110.09687	1.9
111.04456	0.4
111.25457	0.4
112.07584	1.3
114.09174	3.3
116.07072	1.1
116.98621	1.1
117.07040	0.4
119.08574	1.9
120.08113	0.8
120.08931	0.5
121.10146	2.3
122.05994	0.7
123.08056	0.8
123.11717	0.6
124.07553	0.7
125.09611	0.8
127.03864	0.4
127.11195	0.4
131.01630	8.0
131.04918	0.6
131.08533	2.5
133.10150	2.1
133.10973	0.4
134.06071	0.4
134.99686	0.4
135.08063	0.5
135.11653	1.1
136.07553	0.6
137.05980	1.2
137.09662	0.5
138.05501	0.5
138.09132	11.9
138.12785	1.6
140.07025	0.8
141.07375	0.8
145.10091	0.8
147.04424	0.4
147.11670	0.9
149.05972	1.5
149.09634	2.9
149.10687	0.6
152.07053	0.8
152.14336	0.8
157.10178	0.5
158.99664	0.7
164.11504	0.5
167.07057	0.9
167.10678	0.5
172.03888	1.0
173.04214	1.4
177.00732	0.6
178.04970	1.0
179.14221	0.5
184.13319	0.6
185.11710	1.5
187.06137	0.5
187.10883	0.5
196.06718	0.7
204.06551	1.3
205.06897	2.5
215.09290	0.5
224.09915	0.9
228.30630	0.4
248.23721	11.7
248.26309	0.7
249.24091	0.8
262.21823	0.4
264.23215	20.5
265.23541	1.4
266.21469	0.7
266.24774	5.1
274.21637	1.0
276.34229	0.5
282.24265	7.3
283.10812	0.8
284.25781	3.0
287.11356	0.8
287.61407	0.6
292.22647	3.1
296.11981	1.2
300.25378	3.7
310.23749	13.5
310.27414	0.8
311.24161	0.9
328.24823	16.9
329.11169	1.9
329.25198	1.3
346.17258	2.7
346.25876	100.0
346.66739	1.1
347.12149	49.7
347.26126	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	346.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.6
56.05027	0.4
56.96560	1.9
57.03422	0.7
61.02921	1.2
65.03947	0.6
66.01010	0.3
67.05486	0.3
69.03428	2.8
70.06596	0.9
70.63296	1.0
71.05004	0.6
72.08156	5.1
73.02914	0.9
78.66121	0.2
79.13642	0.3
81.03426	1.4
84.04499	0.6
84.08131	0.8
85.02908	5.3
86.09698	0.9
87.04448	0.4
91.03926	0.5
92.02599	0.3
97.02901	2.5
98.06024	0.4
98.21548	0.4
98.97568	1.8
99.04475	0.6
110.06049	0.5
116.98634	1.5
119.01897	0.3
120.04473	0.8
120.08110	0.3
124.03933	0.4
127.03896	0.8
128.02208	0.3
128.98650	0.5
129.10297	0.3
131.00163	0.3
134.99644	0.8
138.05525	2.5
143.01968	0.4
145.05013	0.7
146.99646	0.6
147.03215	0.3
147.07645	0.4
148.03929	37.5
153.00589	0.3
155.04643	0.6
156.03613	0.3
156.35220	0.4
158.99684	0.6
161.01112	0.4
161.02988	0.6
166.05002	87.8
167.05363	1.0
170.05299	0.4
171.14891	1.8
177.00687	1.1
184.06058	100.0
185.06328	1.1
185.09142	0.4
189.00787	0.4
190.95410	0.4
191.05661	0.3
192.08806	0.4
196.08388	0.4
199.14404	1.3
203.02167	0.6
205.05418	1.0
214.06122	0.3
219.01755	1.0
220.08389	0.5
221.03279	0.3
227.06793	0.5
237.02829	0.8
237.11133	0.4
255.03912	0.4
255.12257	0.4
283.11487	0.9
288.16803	0.3
300.14221	0.5
301.12790	0.3
309.08603	0.4
329.12225	1.2
331.04129	0.4
346.06366	0.6
346.11337	4.2
346.15097	0.8
347.12976	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85567	0.5
53.03930	0.6
55.01862	1.2
55.05493	1.9
57.03417	1.1
57.07059	1.6
61.02917	0.7
64.08066	0.4
65.03931	0.8
67.05502	3.9
68.05018	0.7
69.03081	0.6
69.03434	7.8
69.07073	14.5
70.06573	1.6
71.04977	1.6
71.08624	0.5
71.39079	0.8
73.02911	1.8
79.05489	3.5
80.05002	1.4
81.03403	1.2
81.07060	17.5
83.05000	3.0
83.08617	0.5
84.08150	0.8
85.02912	8.3
85.06555	4.5
86.09694	2.7
89.03902	0.9
91.05450	1.5
91.43565	0.4
93.05787	0.4
93.07058	2.1
94.06575	13.9
95.04974	3.2
95.08618	6.0
97.02905	2.3
97.06537	2.8
97.10125	0.5
99.04459	3.3
99.07480	0.7
99.08099	10.7
105.07026	2.7
107.08607	5.5
108.08121	1.9
108.77568	0.5
109.02876	1.2
109.06506	5.0
109.10149	3.4
110.06003	1.2
111.08075	0.9
112.07600	1.8
113.06005	1.4
116.04980	5.1
116.07092	0.7
117.07072	0.5
118.06536	0.5
119.08575	1.7
121.06427	0.4
121.10153	10.9
122.06039	28.5
123.04430	1.5
123.06282	0.5
123.08073	2.7
123.11705	4.9
123.92373	0.4
124.07606	1.3
125.09637	8.2
127.03912	1.2
127.07581	2.8
131.08611	0.7
132.04510	0.5
133.10127	0.9
134.05957	0.6
135.11647	0.6
136.07576	0.7
137.06007	0.9
137.09593	1.9
137.13249	1.5
139.05745	1.8
139.11179	8.2
140.07069	37.6
141.07806	0.8
144.04451	14.2
145.04993	1.6
145.06433	0.4
146.04955	0.8
146.06017	8.6
147.11696	3.0
148.07535	1.0
149.06039	0.9
149.09578	1.1
151.07436	0.5
153.12738	0.5
157.06827	1.3
161.13361	0.7
162.05502	7.9
163.06018	0.4
165.12781	5.1
166.05035	0.6
166.10141	0.4
169.06534	0.5
172.03941	54.8
173.04323	1.7
173.36218	0.5
174.05516	3.7
178.08629	1.3
183.13818	100.0
184.14091	2.1
189.12744	1.2
190.04987	2.4
194.04495	0.6
204.06572	97.5
205.06906	3.9
206.08141	20.7
207.08363	0.8
213.09218	0.5
221.10007	0.8
224.22449	0.6
245.08441	0.9
267.11380	0.7
268.09564	0.6
273.11166	1.6
295.10858	0.5
299.09277	1.2
299.13577	0.5
300.12292	1.9
309.11615	0.5
313.03543	0.5
313.11838	2.3
315.01645	0.5
327.13214	3.6
331.12891	3.3
345.05862	1.2
345.13910	21.2
346.14301	1.2
346.25806	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41690	0.6
55.01877	0.6
55.05511	17.5
56.00559	0.6
57.03439	0.7
58.99574	4.7
61.01128	0.8
62.31404	0.6
66.62117	0.5
67.05496	1.2
68.05010	1.1
69.07066	1.2
71.58818	1.1
71.59204	0.8
72.20356	0.7
72.66105	0.6
76.03990	1.7
79.05489	0.9
80.05013	12.5
81.07051	2.7
83.08617	12.8
83.34689	0.6
84.04502	3.6
85.02889	0.8
86.00648	0.7
86.06051	1.3
86.09704	0.9
86.99048	3.3
88.02229	0.7
93.07021	1.2
95.08617	1.5
96.04465	1.6
97.01085	0.8
97.06535	0.7
98.97585	1.3
99.02681	1.0
103.05419	0.6
105.07003	1.0
107.08597	1.1
108.04482	2.9
109.10176	0.8
110.50515	0.6
114.03761	15.3
116.01672	16.6
116.02490	0.9
116.98605	0.8
119.08603	0.8
136.03949	2.5
137.05994	1.4
139.05751	1.9
140.07088	0.8
142.03220	100.0
143.03564	1.6
144.01129	7.3
144.04773	1.1
147.11633	0.9
159.08389	12.7
162.02199	20.1
167.05193	0.8
170.02707	36.7
171.03081	0.8
183.08060	0.6
193.06178	0.7
199.05327	5.5
204.06668	0.8
211.07179	1.4
215.50412	0.7
227.04852	4.8
240.10522	0.9
242.12140	3.7
242.14365	0.6
245.05919	24.4
252.10500	0.9
259.18668	0.6
262.11084	7.4
270.11484	2.9
281.18515	0.7
299.13113	0.7
299.52765	0.7
313.03448	1.0
315.01224	1.0
327.13525	1.0
330.03677	1.4
345.06168	3.6
345.14194	2.0
345.20670	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.8
61.95353	0.9
62.09478	1.2
65.03912	1.2
67.05504	2.3
68.94167	1.1
69.03425	2.0
69.07074	2.1
70.06581	3.2
70.95732	2.7
71.05011	1.8
72.08173	2.8
79.05497	5.6
81.07046	3.9
83.04988	1.2
83.08616	1.8
84.08141	1.7
85.02899	3.6
86.09708	6.7
87.10067	1.6
91.05476	5.1
93.07034	2.6
94.04181	3.1
94.06567	1.5
95.04925	1.4
95.08606	2.3
97.02916	2.9
97.10227	1.1
98.97567	1.7
103.05475	8.0
105.07042	8.1
107.04890	1.6
107.08569	2.4
111.08096	1.2
116.07101	1.5
116.98679	1.3
117.07004	2.1
119.08585	2.5
121.06506	3.5
121.10144	1.7
122.03671	8.6
122.06038	1.2
123.08095	1.7
125.09579	1.2
127.03842	1.3
129.06964	1.7
131.04942	9.1
131.08588	1.7
133.06490	20.0
135.08067	7.5
137.05980	100.0
138.06274	1.6
140.07060	5.0
143.08575	1.3
145.06506	2.0
146.05907	1.3
147.08014	1.7
147.11633	1.2
149.06029	2.0
149.09537	1.4
151.03868	1.4
151.07573	6.3
151.18388	1.1
157.06473	1.9
159.11652	1.4
163.07545	32.0
163.08929	1.5
165.09071	3.8
165.10332	4.7
165.12746	1.3
171.08121	1.6
172.03955	5.7
175.07500	1.5
183.10196	4.7
183.11514	2.0
185.16409	1.8
189.09088	2.3
191.02083	1.1
203.10777	1.5
204.04964	1.1
204.06548	7.4
205.11995	1.3
206.08124	3.0
234.98955	1.8
235.11121	1.6
263.10651	2.5
295.13232	3.1
300.12421	2.1
327.12668	1.8
328.71829	1.4
330.03531	2.1
336.47418	1.2
345.06250	6.1
345.13800	2.8
345.20831	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.0
55.05510	17.0
56.96558	1.4
57.97463	1.0
58.99584	3.6
61.01147	0.8
67.05507	2.1
68.05041	1.3
69.03436	1.7
69.07063	3.9
70.06596	2.8
70.74281	2.8
71.04985	0.9
72.08157	1.6
76.04020	2.2
79.05496	2.9
80.05022	11.0
81.03407	1.2
81.07056	6.7
83.05004	1.3
83.08628	11.8
84.04504	3.8
84.08114	1.9
85.02911	1.8
85.98362	0.9
86.06078	1.5
86.09740	1.6
86.99043	3.8
88.02229	1.0
91.05498	2.5
93.07050	2.7
94.06604	0.9
95.04985	1.3
95.08606	3.6
96.04504	0.9
97.02885	2.0
98.97606	2.0
101.06025	0.9
105.07027	2.5
107.08587	2.7
108.04469	2.1
109.10152	2.0
111.08089	1.2
114.03770	11.5
116.01683	14.4
116.98627	2.2
119.08578	2.3
121.10159	2.7
122.06033	1.4
123.08094	1.3
123.11750	1.6
129.10254	1.1
130.06561	1.4
131.04898	1.2
131.08551	1.1
133.10156	1.8
135.08070	1.3
136.03931	3.2
137.06020	6.5
137.06912	1.1
139.05817	1.9
140.07092	4.5
142.03223	100.0
144.01126	5.5
145.10106	1.3
147.11667	1.0
149.01265	1.0
157.10074	1.1
159.08397	12.1
159.11607	1.0
162.02208	20.6
163.07532	1.3
170.01279	1.9
170.02725	36.9
172.03964	3.5
183.13757	1.7
191.02313	1.2
199.05325	6.2
204.06503	4.8
205.57219	1.0
206.08133	1.4
211.07143	1.4
227.04846	5.7
242.12109	4.4
244.99695	1.6
245.05936	26.8
246.05956	1.1
262.11099	9.2
270.11734	3.2
299.09048	1.1
299.12708	1.3
303.14133	2.5
313.03445	2.6
315.01297	1.6
327.13022	2.1
330.03766	2.5
345.06293	8.1
345.14227	6.6
345.18866	25.4
345.24377	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00449	0.3
55.01860	1.0
55.05507	2.0
57.03424	0.7
57.07059	0.6
57.12334	0.3
61.02911	0.6
64.54919	0.5
65.03932	0.8
67.05502	3.3
68.05013	0.9
69.03432	4.1
69.07064	9.9
70.06590	2.9
70.19527	0.6
70.19924	1.2
71.04975	1.6
72.08124	0.3
73.02885	1.0
74.11445	0.3
79.05505	2.1
80.05007	0.8
81.03401	1.3
81.07059	11.1
83.04977	2.4
83.08620	0.4
84.04478	0.4
84.08121	1.7
85.02898	3.8
85.06554	2.6
86.09727	1.8
89.03934	1.2
91.03941	0.5
91.05473	2.4
92.34097	0.4
93.05769	0.6
93.07037	1.9
94.06567	14.0
95.04955	2.8
95.08612	3.5
96.04478	0.6
97.02907	1.8
97.06518	1.5
97.10133	0.6
99.04464	2.1
99.04998	0.4
99.08101	5.6
105.07013	2.8
107.08573	3.4
108.08089	1.5
109.02870	0.6
109.06526	2.8
109.10163	2.3
110.06031	2.0
111.08078	0.7
112.07610	2.1
113.05975	0.8
115.39594	0.4
116.04986	5.9
116.07090	1.1
117.07023	0.4
118.06534	0.8
119.08578	2.0
120.08127	0.4
121.06476	0.6
121.10131	5.7
122.06030	27.2
123.04427	1.6
123.08057	1.8
123.11699	2.1
124.07566	1.4
125.09621	5.2
127.03940	0.6
127.07536	1.5
129.10216	0.5
130.06570	0.5
131.08524	0.7
134.05965	0.4
135.11662	0.7
136.07558	0.8
137.05975	1.5
137.09610	1.1
137.13255	0.7
139.05774	0.8
139.11165	4.1
140.07065	36.0
141.07861	0.6
144.04449	13.7
144.05602	0.7
145.04985	1.1
146.06001	9.6
147.08057	0.4
147.11661	1.6
148.07530	1.1
149.05984	0.6
149.09598	1.1
151.07536	0.6
153.06984	0.4
157.06802	1.4
159.11624	0.5
160.03914	0.5
161.09586	0.4
161.13225	1.0
162.05507	7.1
163.11226	0.6
165.05453	0.5
165.12791	2.3
166.04973	0.8
172.03934	56.4
173.04362	1.4
174.05493	3.5
178.08611	1.1
181.06584	0.6
183.13808	49.9
189.12772	0.8
190.04997	2.1
194.04501	0.7
204.06558	100.0
205.06964	2.8
206.08130	18.6
225.10359	0.6
227.07289	0.5
241.08490	0.6
243.07611	0.5
245.08517	0.6
258.08707	0.4
267.11404	0.8
269.01279	0.4
271.10748	0.5
273.11111	1.5
295.10800	0.5
299.09875	0.7
300.12393	1.2
309.12115	0.7
313.03317	0.6
313.11615	1.8
315.01294	0.6
327.13171	3.7
330.03735	0.9
331.12787	2.9
332.27124	0.5
345.05978	2.7
345.13965	13.1
346.14056	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97391	0.4
55.05512	1.5
63.62080	0.4
65.03931	1.1
67.05507	3.4
68.05019	1.0
69.03434	0.8
69.07069	5.1
69.35613	4.2
70.06597	6.7
71.04997	0.9
72.08165	1.1
78.56947	0.4
79.05487	2.4
80.05003	1.0
81.03424	0.7
81.07059	1.6
83.04975	1.0
84.04499	0.7
84.08145	1.9
85.02904	1.2
86.09711	6.6
87.10039	0.5
88.03973	0.9
89.03932	1.0
91.05479	2.0
93.05783	0.7
93.07054	1.4
94.06569	13.4
95.04981	2.7
95.08607	1.5
96.04543	0.6
96.81178	0.6
97.02893	0.5
97.06529	1.1
98.97577	1.3
105.07056	1.4
107.08607	2.2
108.05812	0.4
108.08127	1.3
109.06543	0.8
109.08714	0.4
109.10143	0.9
110.05399	0.5
110.06033	2.2
111.08041	0.5
112.07602	1.9
113.06063	0.5
114.09195	0.6
116.04982	4.7
116.07102	2.8
116.98614	0.8
118.06538	0.5
119.08618	1.0
120.08127	0.9
121.06545	0.7
121.10163	0.8
122.06034	27.2
123.04465	1.3
123.06380	0.6
124.07568	0.5
129.10271	1.3
131.04965	0.5
131.08519	0.6
132.04478	0.5
134.06033	0.6
134.48131	0.5
134.57388	0.4
135.07979	0.6
136.07588	0.8
137.05952	2.0
138.09142	0.5
140.07069	39.0
141.07835	0.5
144.04443	12.9
144.06543	0.5
145.04930	0.6
145.10147	0.6
146.06020	8.9
147.06787	0.6
147.11694	0.9
148.07478	0.9
157.13457	0.6
159.11700	0.9
162.05499	6.6
165.12723	0.6
172.03935	57.3
173.04301	1.7
174.05499	3.7
176.58449	0.5
177.00711	0.7
178.08571	1.1
183.10129	0.7
183.13786	0.9
187.14455	0.8
190.04994	1.8
192.06590	1.2
204.06566	100.0
205.06981	2.4
205.12402	0.5
206.08131	19.5
213.12390	1.4
274.03928	0.7
285.11258	0.5
300.12369	1.8
313.03378	0.7
313.11777	1.7
315.01389	0.5
327.13342	1.7
328.12366	0.5
330.03763	1.0
331.12912	3.4
345.06027	4.4
345.14096	8.9
346.09109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96573	3.6
66.30258	0.5
69.03415	0.5
69.90762	1.6
69.91168	1.0
70.23615	0.4
71.95275	0.7
97.02892	1.1
98.97586	10.7
113.03412	0.6
116.98621	13.0
119.01953	2.8
134.99661	10.1
135.99942	0.5
137.02946	0.7
138.98883	0.4
140.00194	0.6
153.00740	1.7
158.01276	0.5
158.99899	0.5
177.00955	10.3
178.01007	0.9
180.77019	0.4
182.99940	1.8
190.95500	0.5
199.51788	0.5
201.00912	3.7
211.55261	0.4
216.98631	0.5
219.02010	100.0
220.02107	9.9
221.02109	0.6
230.93439	0.7
232.96581	0.5
234.99680	0.5
237.02983	0.6
238.95633	0.8
242.03612	6.9
242.99481	0.8
243.03862	0.6
251.94087	0.5
253.60568	0.4
256.96625	8.4
257.96841	1.1
258.96463	0.6
259.00043	0.7
260.04553	0.6
260.99997	0.9
261.03082	3.1
262.03308	0.8
263.02756	1.1
272.94608	1.2
273.02859	0.4
274.97638	5.4
276.97672	0.6
277.00888	1.2
279.01041	0.5
279.98230	2.0
280.96628	1.3
283.00000	0.6
284.99835	0.5
285.04422	0.6
288.92075	0.9
290.95551	0.5
291.95486	1.0
292.98489	0.8
298.97684	35.9
299.97797	4.1
300.96008	1.5
301.01086	1.2
302.01337	0.5
303.01035	2.2
303.04221	0.5
306.93237	0.5
309.96313	0.7
318.94858	4.8
319.44791	2.2
319.94681	1.3
321.46667	0.7
321.99356	9.1
322.99448	1.0
324.56638	0.6
327.95471	3.8
328.44595	2.4
328.94702	2.3
329.44296	0.9
330.45966	1.0
333.96884	0.6
336.96106	0.6
340.07263	0.4
340.89871	0.6
345.01630	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	40.0
57.07063	24.2
67.05511	82.1
69.07056	39.6
70.06564	16.4
71.04982	15.9
71.08620	44.2
71.60487	29.2
79.05492	55.2
80.80267	12.8
81.07054	91.2
83.04961	22.4
83.08607	16.8
88.07623	80.2
91.05459	55.8
93.07033	88.9
95.04955	21.4
95.08612	82.1
97.06548	26.3
99.08087	42.0
105.07034	57.5
106.08665	18.2
107.08591	37.5
109.10131	36.9
119.08561	39.5
121.10153	45.5
125.09708	22.0
133.10127	36.0
135.11705	31.7
138.09377	15.3
139.11159	43.0
145.10112	22.8
147.11603	16.9
151.11101	17.5
163.14891	13.6
217.19658	18.3
220.48322	13.0
277.21683	69.9
298.30966	16.8
313.03378	31.7
315.01218	16.9
330.03793	27.4
344.31812	100.0
344.34824	88.0
345.05957	79.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2586
Annotation	Cuauchichicine
Peak:m/z	Relative Intensity
50.19558	0.2
55.05500	0.8
56.96544	0.4
57.03434	0.2
67.05486	0.8
69.03449	0.4
69.07073	1.4
69.90925	1.7
76.49114	0.3
79.05486	0.5
81.03411	0.3
81.07060	1.9
82.07396	0.2
83.04961	0.4
83.08614	0.4
85.02895	0.4
91.05487	0.8
93.07048	1.1
95.04943	0.6
95.08633	1.2
96.08930	0.4
97.02917	0.3
97.06532	0.8
98.21495	0.3
98.97547	0.3
100.04581	0.3
105.07020	0.7
107.08600	0.8
109.06493	0.4
109.10174	0.9
119.08585	0.9
121.10095	0.6
123.11731	0.3
125.06075	0.2
129.07021	0.4
131.04929	0.4
131.08559	0.5
133.10155	0.5
135.08018	0.3
137.05910	0.3
138.09122	0.3
141.09142	0.3
145.10138	0.5
150.12805	0.5
151.09912	0.4
157.10104	0.6
158.09679	0.4
159.11685	0.5
162.06335	0.4
162.09158	0.4
169.10117	0.6
173.13310	0.3
176.10699	0.5
183.11737	0.5
184.11374	0.3
188.10771	0.6
189.11444	0.3
190.12283	0.7
197.13237	0.5
198.11130	0.3
198.12854	1.1
202.12271	1.9
203.13054	2.0
204.13870	0.4
206.11859	0.3
209.13225	0.3
210.12793	0.7
211.13493	0.3
216.13876	0.6
217.14594	0.4
221.14128	0.4
228.13846	0.4
229.61247	0.3
230.15390	1.0
241.50896	0.2
242.15434	0.4
244.16873	0.3
252.17513	0.5
255.08032	0.3
258.14847	0.5
258.18588	2.0
260.16458	2.2
268.17050	0.3
270.22180	1.4
272.16550	2.0
273.17331	0.8
273.20905	1.0
282.22141	1.1
286.17859	0.4
296.20419	0.3
298.21643	0.3
300.19632	1.6
300.22888	0.4
313.03824	0.3
314.21219	0.5
315.01147	0.4
326.24854	0.6
328.22598	0.5
329.23450	0.8
330.03821	0.4
344.25854	100.0
345.06070	1.8
345.17334	0.3
345.22198	0.4
345.26193	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	344.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.9
55.05509	6.1
56.05038	1.8
56.96572	1.0
60.04536	2.8
60.19361	0.7
67.05505	3.8
68.05017	1.0
69.03422	1.2
69.07068	3.3
70.06596	2.9
71.04963	1.4
71.60327	0.9
72.08157	66.0
79.05499	2.7
80.05050	1.1
81.07047	5.4
82.07401	1.6
83.05016	1.1
84.04522	1.2
85.02911	1.7
86.09708	100.0
91.05489	3.7
93.07056	3.4
94.04161	1.0
95.04957	1.1
95.08618	3.4
97.06547	1.4
103.05463	1.8
105.07037	3.3
107.08587	2.1
107.27639	0.8
109.06567	1.3
109.10183	2.1
117.07019	1.7
119.08584	1.2
121.02863	1.0
121.10132	1.0
121.63682	0.8
122.03628	1.4
123.11752	1.9
131.04948	2.8
132.10237	3.4
133.06491	4.2
135.08072	2.4
135.11639	1.1
137.05981	25.2
137.09621	1.0
138.03772	1.2
142.03226	3.6
145.06474	1.1
145.10164	1.5
151.07570	1.0
153.12833	1.2
157.06503	1.0
162.02283	1.4
163.07544	6.5
163.11252	1.0
164.11710	1.1
170.02742	1.2
175.07513	1.3
185.16499	60.0
186.16873	1.3
189.09029	1.7
213.15981	37.0
226.25645	0.8
227.17543	0.9
231.17082	5.2
245.18774	1.9
270.07687	1.1
271.05966	1.0
282.24124	1.1
284.52014	0.9
297.71442	1.0
297.87381	0.9
298.23819	2.3
308.22299	1.9
312.18494	0.9
313.03387	2.1
315.01248	1.7
326.14597	1.0
326.23401	3.1
327.12177	1.0
330.03665	1.7
344.11841	1.0
344.17529	2.6
344.24252	12.0
344.27960	2.1
345.02527	0.9
345.06198	5.4
345.14258	1.0
345.24634	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	344.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	10.1
55.01861	9.5
55.05504	21.2
56.96553	10.6
57.03421	22.2
57.20010	4.9
65.03938	5.4
67.05177	6.4
67.05510	65.8
69.03448	8.8
69.07071	86.4
69.51534	13.7
69.51950	38.0
70.06565	6.4
71.04987	28.7
73.02918	8.4
79.05497	61.9
81.03420	36.3
81.07057	64.8
83.04985	14.4
83.08602	8.2
85.06539	9.6
91.05490	37.5
93.07050	50.2
95.04957	49.7
95.08591	35.6
97.06525	100.0
97.10143	8.4
98.06937	5.1
98.97579	5.8
99.08089	11.8
105.07044	27.3
107.04951	11.6
107.08578	28.1
109.06524	21.4
109.10145	17.9
111.08084	7.9
113.06027	7.6
115.07578	63.7
116.10744	6.9
117.07001	15.5
119.08591	24.8
121.06485	15.1
121.10162	17.8
122.34999	6.4
123.08052	11.9
129.07051	13.1
131.08575	18.6
133.10135	17.6
135.08078	10.7
135.11671	18.5
143.08560	11.5
145.05014	7.8
145.10110	18.6
147.11699	13.4
149.09613	14.4
149.13266	12.1
159.11745	13.2
161.09541	7.7
171.11638	6.8
175.11267	8.5
177.12767	11.5
187.14807	6.3
195.13850	10.4
201.12711	7.2
219.13832	7.3
223.13264	17.0
273.10095	5.9
273.18515	11.0
285.09900	7.3
291.19553	14.4
313.03552	10.1
315.01178	8.5
327.12234	5.8
330.03766	11.8
344.24075	24.8
345.06058	53.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	2.0
61.02925	2.5
69.03421	2.9
70.06586	3.7
71.03682	3.4
81.03419	1.5
84.08145	1.3
85.02908	19.1
86.09705	3.5
88.03886	1.3
91.05473	5.0
95.04984	1.5
97.02901	4.8
114.95152	1.3
116.07088	4.8
119.04946	13.3
120.08070	1.8
122.02710	4.8
123.04487	1.8
127.03904	2.8
131.08493	1.8
145.04955	3.9
147.04408	100.0
154.08667	1.6
156.79486	1.3
161.09631	1.2
164.07095	3.1
165.05476	63.0
166.05972	1.7
177.09174	3.1
180.08638	3.9
180.54880	1.4
182.08128	2.8
201.12440	3.4
344.13879	19.7
344.24258	8.3
345.06149	2.2
369.77612	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	344.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99210	2.6
55.01882	4.5
55.05516	13.9
56.96565	2.9
57.03434	11.5
57.07066	2.7
58.01472	2.4
65.48015	2.7
67.05502	33.0
67.13624	3.0
69.03431	3.7
69.07065	40.8
71.04990	13.8
71.11493	2.8
71.11830	6.0
73.02921	4.8
79.05501	27.4
81.03412	20.6
81.07062	38.4
83.04969	10.9
83.08632	5.6
85.02910	3.2
85.06541	3.8
89.10641	2.5
91.05474	22.2
93.07043	26.6
95.04971	29.9
95.08612	21.8
97.05904	5.7
97.06535	100.0
99.08104	8.7
105.07014	14.1
107.04941	7.7
107.08595	19.0
109.06512	17.2
109.10158	7.8
111.08070	5.6
113.06018	3.8
115.07570	30.4
116.10746	4.4
117.07024	9.7
119.08561	12.4
121.06493	5.8
121.10114	14.0
123.08080	5.9
125.09624	2.8
129.07030	4.1
131.08583	13.7
133.04851	2.6
133.10132	12.5
135.08084	5.1
135.11716	9.6
143.08566	6.1
145.10139	8.1
147.08153	3.4
147.11668	6.3
149.13300	5.6
151.07545	3.7
151.50258	3.1
157.10152	5.1
159.11705	14.5
161.09608	6.3
165.09024	4.3
171.11673	2.8
173.13231	4.3
175.11214	3.8
177.12770	9.9
187.11124	2.7
190.74089	2.9
193.12343	3.4
195.13730	6.5
223.13240	7.2
273.18344	6.4
291.19525	10.5
313.03281	5.7
315.01434	3.0
330.03531	6.7
344.24438	6.5
345.06128	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	344.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05500	0.8
56.96561	8.8
57.03434	3.8
60.95839	0.5
61.02925	3.9
67.05536	0.6
67.32577	0.5
69.03426	4.4
70.06596	3.0
70.70247	1.6
70.98100	0.8
71.01336	0.5
71.04983	1.3
72.08153	0.7
73.02899	2.6
74.97614	0.5
75.04462	0.6
81.03412	1.1
83.01318	0.7
83.04998	0.8
84.04484	0.6
84.08129	1.4
84.96030	1.4
85.02902	8.7
85.06534	0.6
86.09692	2.4
87.04461	1.6
88.99139	0.6
91.80152	0.5
97.02898	4.2
97.06558	0.7
98.97579	4.5
99.04441	1.0
105.01994	0.6
108.08112	2.9
109.02863	0.9
112.07592	0.6
115.03933	1.4
116.07064	0.9
116.98610	4.1
117.01865	0.8
118.06475	0.5
119.01820	1.5
122.07179	1.2
126.00755	0.5
127.01534	0.9
127.03905	2.3
128.98621	1.2
129.10274	0.8
130.93285	1.0
131.00128	0.6
131.01930	0.6
132.00728	1.0
132.10245	0.6
134.99637	3.5
136.07573	63.4
138.05502	0.5
141.01227	1.5
145.04977	1.1
146.99649	2.2
147.04381	0.9
147.05653	0.6
148.03874	1.0
149.01178	1.1
150.01807	1.6
150.05492	0.7
152.05681	0.8
157.01488	0.7
157.02606	1.6
158.99663	1.2
159.52953	0.5
161.01100	1.2
161.03064	0.5
162.03595	0.7
164.07066	10.0
164.10703	0.8
165.00835	1.0
166.04988	1.1
170.05154	1.2
172.97610	0.8
173.01297	0.8
174.00771	1.2
174.99199	1.0
175.00833	0.6
177.00742	1.8
177.04149	0.9
177.07175	0.6
178.07466	0.5
182.04845	2.5
182.08127	100.0
183.04082	1.1
183.08484	1.1
187.02826	0.8
189.00682	1.0
190.01254	1.3
190.98676	1.6
191.02179	1.6
191.03934	0.6
191.08365	0.5
193.00200	1.8
193.01898	0.8
199.01813	1.0
201.00661	0.8
203.02245	0.6
205.00175	1.2
205.01877	1.2
205.05856	0.6
207.03439	0.9
208.99533	1.1
209.03293	0.8
212.02466	0.7
212.04568	0.5
214.02373	1.5
217.00139	0.6
218.51021	0.7
219.01790	1.9
220.02235	0.7
221.05208	0.7
222.52650	0.6
223.01270	1.0
224.08345	0.6
225.06967	0.8
226.02399	1.3
226.06036	0.6
227.04604	0.6
228.01772	1.1
232.02293	0.9
232.99765	0.6
233.03090	0.9
235.02946	2.5
237.02733	2.4
241.02692	0.8
242.03622	2.6
246.02934	0.7
248.95970	1.5
248.99115	0.9
249.06281	1.9
263.00687	0.6
267.00345	0.9
269.05698	1.1
284.02921	1.4
284.52774	0.5
326.08127	1.2
335.04321	0.6
344.03314	0.6
344.09103	3.2
344.13370	5.6
344.17194	1.0
345.06052	2.2
362.04596	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	344.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.0
55.01867	0.7
56.96573	0.7
57.03433	2.0
61.02926	3.0
65.03946	0.4
69.03429	6.7
71.03622	0.9
71.04989	0.9
73.02920	1.6
81.03423	2.6
85.02905	21.3
87.04489	1.3
91.03944	0.9
91.05489	4.5
95.04956	0.7
97.02882	5.3
98.97583	3.0
99.04465	1.0
103.07623	0.9
109.02889	2.3
110.18317	0.4
110.97566	0.5
112.34557	0.4
116.98630	1.3
119.03641	0.7
119.04939	16.7
120.05313	0.4
120.08109	0.5
123.04404	2.4
127.03924	4.8
128.04095	0.9
128.98549	0.7
145.04955	3.7
147.04407	100.0
148.04744	1.1
149.93813	0.4
158.99614	0.9
159.03290	0.8
165.05475	59.2
177.00696	1.5
177.04297	1.5
180.08597	2.4
182.05225	1.1
182.06985	3.5
182.08376	0.8
191.05661	3.1
191.07234	0.7
201.04280	0.6
202.56503	0.5
219.01724	1.4
219.05334	0.9
237.02831	2.7
243.05327	0.8
263.09689	8.7
263.59793	1.8
321.08447	0.7
344.12241	7.1
344.62411	1.5
360.91156	0.5
363.09485	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	344.1163
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52868	1.0
52.77424	0.9
55.01868	1.3
55.05506	1.8
58.99590	8.7
60.04531	1.9
67.05505	2.0
69.07059	1.2
70.06591	13.5
71.28604	2.3
72.08149	2.2
76.02225	20.4
79.00246	1.0
79.05495	3.5
79.93894	0.9
81.07047	1.9
83.04964	1.1
84.08141	4.1
85.02906	2.9
86.09710	21.8
86.99065	6.3
89.06023	3.5
91.05467	11.9
93.07051	6.5
95.04971	1.7
96.21207	1.0
103.05465	2.1
105.00094	13.4
105.07027	19.6
107.04970	2.2
107.08573	2.8
115.05449	2.2
116.06286	2.0
116.07028	5.6
117.07025	12.1
119.08574	1.6
120.42451	1.1
121.06506	15.2
121.10149	3.7
122.02728	100.0
128.06258	1.3
129.07056	2.1
129.10237	5.2
130.08621	1.4
131.04958	1.2
131.08566	46.5
133.08614	2.1
133.10118	6.0
135.08087	3.0
136.07605	2.2
141.06998	2.2
147.04414	7.5
147.08116	1.1
149.05934	1.9
149.09641	10.3
157.13370	1.8
159.08055	22.2
161.09641	5.5
163.07558	1.5
165.05464	4.4
177.09111	60.5
185.12926	1.2
187.07567	14.1
205.08603	4.8
213.12350	10.5
223.09659	2.5
297.43304	1.0
326.23346	2.4
344.24350	4.4
345.06174	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	344.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03960	0.1
55.01873	0.5
55.05502	0.2
56.96570	1.3
57.03440	1.3
59.05012	0.2
60.04530	0.4
61.02929	1.6
62.06091	0.7
65.03945	0.2
65.68176	0.1
67.05500	0.4
68.05029	0.3
69.03434	2.7
70.03760	0.2
70.06599	1.1
71.01355	0.1
71.04993	0.9
71.45972	0.1
71.60014	0.1
71.60452	0.3
72.04521	0.3
72.08160	0.3
73.02916	1.3
74.06091	0.2
75.04485	0.6
76.07649	0.6
76.41315	0.1
80.05002	0.2
81.03409	0.8
81.07068	0.3
82.06593	0.1
83.04987	0.5
83.06104	0.2
84.04517	0.5
84.08144	0.7
84.96098	0.1
85.02906	7.3
85.06542	0.2
86.06081	0.2
86.09711	0.2
87.04456	0.6
91.03953	0.3
91.05470	1.3
93.05791	0.2
95.04978	0.8
95.06086	0.6
97.02892	2.6
98.00649	0.2
98.97574	1.3
99.04459	0.6
101.06036	0.2
104.10737	0.6
106.05040	0.3
107.04964	0.3
107.06070	0.2
108.08121	3.1
109.02881	0.7
109.06542	0.2
110.06052	0.3
111.04448	0.2
112.02203	0.7
114.02576	0.1
115.03921	0.5
116.07092	0.2
116.98620	1.0
117.05621	0.2
118.01031	0.2
118.06544	0.5
119.01911	0.4
119.04944	2.1
121.06526	0.2
122.06033	0.2
122.07181	0.4
123.04433	3.7
123.05424	0.2
124.07641	0.2
126.03716	0.2
127.03919	1.5
128.98625	0.2
129.05476	0.7
129.10228	0.2
130.08655	0.2
131.00197	0.4
131.01901	0.3
133.03471	0.2
133.04982	0.3
134.99666	0.4
136.07578	69.5
137.02924	0.2
137.05956	0.2
137.07082	0.4
137.07990	0.4
138.05516	0.4
141.01276	0.2
141.06544	0.2
143.01903	0.2
145.03438	0.2
145.04976	0.9
146.99655	0.6
147.04402	1.4
147.06546	0.6
147.11345	0.1
148.03896	0.4
148.07576	0.2
149.01195	0.4
150.01776	0.3
150.07719	0.3
151.03249	0.6
152.07066	0.3
153.06593	2.7
157.04456	0.2
158.99667	0.3
161.01207	0.3
161.02968	0.2
163.06136	0.2
164.07071	9.7
164.10738	0.3
165.00748	0.3
165.05475	4.9
165.06642	1.4
165.07751	0.4
166.04935	0.6
167.08202	0.4
169.04376	0.2
169.06070	0.2
173.01239	0.3
173.02916	0.2
174.99078	0.2
175.00745	0.1
175.04434	0.2
177.00717	0.5
177.02240	0.2
177.04796	0.2
178.08629	0.3
179.02179	0.2
179.06439	0.2
179.08054	0.1
180.08762	0.1
181.06050	0.2
182.08127	100.0
183.08687	0.8
188.07710	0.2
189.00674	0.4
190.98672	0.2
191.02187	0.2
191.03828	0.1
191.08168	0.6
192.04810	0.2
192.08881	0.4
193.00229	0.2
193.01888	0.1
197.01996	0.2
197.03812	4.5
198.05998	0.1
201.00833	0.2
202.98715	0.1
203.02335	0.2
205.00092	0.2
205.01875	0.3
209.03500	0.2
212.04662	0.2
215.04919	0.3
219.01826	0.4
222.05605	0.2
223.05370	0.4
224.09192	0.3
224.11317	0.2
225.06943	2.9
226.02344	0.4
232.06358	0.2
235.02904	0.4
237.02827	0.6
241.06432	2.4
241.15448	0.4
241.54535	0.1
242.03441	0.3
242.05502	0.5
245.05138	0.2
248.05701	0.2
251.04277	0.3
269.05933	2.7
280.07574	1.7
280.10855	0.2
280.11481	0.1
298.08472	0.6
300.22760	0.3
308.11331	0.3
326.08096	4.8
326.12189	0.5
329.04404	0.1
344.09045	21.8
344.13303	5.4
345.06070	0.8
345.10071	0.7
345.13171	0.3
359.19247	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	343.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39991	1.5
54.22961	1.4
55.05503	9.7
55.94838	1.4
56.96565	2.8
57.03434	2.4
57.07064	6.7
61.02919	2.9
67.05501	16.2
68.15892	1.6
69.03421	4.7
69.07068	21.5
71.04987	2.3
71.08627	4.9
71.14948	1.6
71.59953	2.2
73.02933	1.8
74.01215	1.3
77.55054	1.5
79.05489	12.2
81.03407	2.0
81.07053	51.0
83.04987	2.8
83.08604	7.6
85.02904	8.0
85.06531	4.2
91.05473	10.5
93.07040	22.1
93.63181	1.5
95.04970	8.2
95.08605	42.8
97.02901	2.9
97.06539	10.7
97.10171	5.0
98.97582	1.6
99.08123	2.5
105.07017	16.6
107.08591	19.9
109.06516	3.4
109.10149	26.1
111.08080	2.6
111.11746	2.1
116.98589	2.3
117.07007	3.2
118.46159	1.5
119.08582	12.5
121.06532	1.7
121.10141	16.5
123.08042	2.1
123.11710	19.2
125.06015	1.8
125.09615	3.3
127.03940	3.6
127.07632	1.6
129.06972	1.6
131.08568	5.3
133.10133	11.7
134.99638	2.1
135.07967	1.4
135.11700	10.2
137.09627	2.7
137.13239	7.8
139.11128	2.5
139.44826	1.4
143.07088	1.8
145.10132	8.5
147.11673	10.6
149.13243	7.1
151.11237	2.6
151.14850	1.5
157.10172	2.6
159.07973	1.4
159.11691	4.4
161.13293	5.8
163.07573	3.3
163.11186	8.4
163.14793	4.4
165.12813	2.7
171.11755	2.8
173.13272	3.0
175.14836	4.3
177.09151	1.4
177.16438	3.6
187.14835	3.0
189.16409	3.3
195.11681	1.7
197.05916	1.4
199.14719	1.6
201.11047	2.2
203.18080	1.9
215.17996	2.0
257.07861	1.7
259.15198	1.7
269.20938	2.9
271.15259	8.5
271.24228	4.3
281.20944	2.7
289.25400	2.1
299.12778	2.7
307.26282	4.2
325.21692	3.2
343.15524	4.2
343.24649	100.0
344.25076	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	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
55.01864	3.2
55.05511	21.4
56.96560	4.3
57.03435	5.9
57.07086	12.0
59.04996	4.3
67.05503	33.2
67.05833	3.4
68.24398	1.7
69.03419	7.0
69.07072	62.1
70.06586	14.5
70.07409	2.0
70.73035	5.7
71.04998	9.1
71.08628	3.5
71.38735	1.9
79.05489	21.1
80.06717	1.7
81.03426	4.6
81.07062	100.0
83.04988	9.7
83.08643	11.2
84.10591	1.7
85.02911	10.5
85.06550	8.4
86.09703	3.5
91.05484	17.2
92.08656	2.0
93.07050	44.8
95.04965	19.5
95.08608	79.9
96.08923	2.6
96.94699	2.2
97.02892	5.4
97.06536	15.0
97.10187	9.4
99.04446	3.2
99.08099	8.4
100.07598	2.1
103.05507	2.8
105.07027	30.6
105.39638	2.0
107.04970	4.3
107.08593	36.0
109.02892	3.1
109.06524	8.5
109.10159	49.2
111.08089	8.7
111.11728	13.7
114.18582	1.9
115.05520	2.1
116.98615	1.9
117.07056	5.2
119.08596	21.2
120.08125	19.5
121.06487	4.4
121.10145	34.1
123.08071	4.7
123.11713	33.1
125.09678	4.4
127.03938	4.3
131.08557	7.1
133.10147	18.3
135.08105	3.1
135.11685	24.5
137.06030	4.1
137.09637	5.5
137.13269	19.2
139.11211	10.3
143.08551	3.3
145.04933	2.1
145.10117	14.4
147.11703	16.9
149.09613	4.6
149.13271	18.3
151.11174	5.3
153.12766	5.3
155.10670	3.2
157.10127	4.9
157.12228	3.5
159.08089	2.1
159.11690	10.2
161.13304	8.7
163.11160	21.1
163.14832	8.4
165.09180	2.0
165.12823	4.5
169.10136	2.2
169.12219	2.0
173.13290	7.3
175.14822	5.4
177.16438	5.9
181.12248	10.3
187.14816	5.6
189.09082	2.4
189.16354	6.1
191.17943	2.8
197.13315	2.3
201.16461	2.5
203.18051	4.2
209.13406	1.9
215.17975	3.4
251.11464	5.3
259.24222	2.4
269.12384	19.3
270.12439	3.4
271.11304	2.2
271.24213	6.0
277.25378	3.4
289.25262	8.1
301.14999	5.3
307.26337	14.0
325.27365	6.1
343.11865	2.5
343.15216	3.1
343.18890	3.9
343.22510	3.5
343.26349	2.6
344.15823	2.4
344.24200	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48333	2.0
52.89389	2.1
53.03936	3.7
55.01895	4.3
55.05511	30.3
55.85719	2.0
56.96555	6.2
57.03424	4.0
57.07080	11.6
59.04999	6.7
60.22190	1.9
67.05513	29.0
69.03426	15.5
69.07067	69.0
70.06583	5.9
70.87381	3.6
70.87724	3.1
71.04983	11.4
71.08625	9.5
72.08977	2.8
79.05495	20.4
81.03419	4.8
81.07057	100.0
83.04982	8.7
83.08621	32.0
85.02903	8.0
85.06557	6.9
86.06074	7.1
86.09710	3.9
87.06390	4.2
91.05466	16.7
93.07047	59.9
95.04971	16.7
95.08611	73.4
96.08132	4.6
97.02882	4.0
97.06528	26.9
97.10168	9.7
98.09694	3.2
98.97613	3.3
99.04468	9.3
99.08105	5.3
99.10003	2.3
100.11239	2.4
101.06037	3.4
105.07032	24.0
107.08601	41.6
109.06506	11.5
109.10159	46.5
110.06098	2.6
111.04475	2.3
111.08080	9.0
111.11024	2.2
111.11704	11.6
115.07554	2.1
116.06306	2.1
116.07103	2.4
116.10732	7.7
117.07004	3.7
117.11079	8.2
119.08578	23.4
120.08089	3.8
121.06504	3.9
121.10149	34.9
122.06020	5.8
123.04469	3.0
123.08098	6.1
123.11701	34.6
124.07571	3.5
125.06022	4.2
125.09628	4.7
127.03902	3.7
127.11200	2.0
129.05461	2.0
129.09119	2.4
131.08586	6.6
133.10120	14.7
134.99629	2.6
135.08057	3.0
135.11700	22.6
136.07605	3.0
137.05992	2.8
137.09596	3.6
137.13257	20.5
138.09128	3.6
139.11208	11.8
139.14862	5.1
142.08649	3.7
143.08691	2.4
143.10674	4.4
145.10152	13.8
147.04420	3.7
147.11728	13.6
149.09581	2.5
149.13252	11.3
151.07539	2.6
151.11238	6.5
153.12723	9.8
155.10675	2.1
157.10118	4.0
159.11717	8.1
160.93289	2.3
161.09547	2.2
161.13300	7.0
163.11214	16.1
163.14870	3.7
164.07063	4.6
165.11230	3.1
165.12625	4.2
171.11774	3.7
173.09708	2.3
173.13252	2.8
175.14851	6.3
177.16360	6.0
181.12254	9.2
185.13257	2.4
187.06010	16.8
187.14752	5.5
191.03497	5.2
199.23569	2.5
209.13605	6.1
212.16455	10.6
213.16479	2.7
214.18112	3.2
215.18159	4.7
226.14360	6.1
227.14529	10.7
244.15401	15.4
245.15794	34.9
257.08051	4.1
271.24057	3.8
285.10291	2.2
289.25314	7.3
290.25211	2.2
295.26443	2.7
299.12875	3.5
307.26318	6.1
314.11023	2.9
323.11578	8.4
325.21896	4.2
325.27145	5.3
332.12155	12.5
332.62167	6.2
334.17160	4.7
334.62326	2.6
343.12061	4.4
343.15735	4.1
343.22754	14.0
343.62708	2.7
344.17010	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03952	2.9
55.01869	4.0
55.05508	13.9
57.03442	6.1
57.07092	7.3
67.05512	24.0
68.31187	3.0
69.03434	7.3
69.07059	5.2
70.85838	9.0
71.04993	14.6
73.76089	3.5
79.05486	21.7
81.03440	4.2
81.07056	24.8
83.04989	6.9
85.06516	4.4
91.05471	28.0
93.07044	55.5
95.04970	46.9
95.08604	66.5
97.06533	16.7
103.05454	3.6
105.07030	61.9
107.08599	45.5
109.06556	18.2
109.10168	6.8
117.07021	22.8
119.08569	27.9
121.02982	3.2
121.06495	12.3
121.10167	22.5
123.08086	20.6
125.06001	4.8
128.06223	4.8
129.06989	6.0
130.07796	10.5
131.08583	9.7
131.63106	3.1
133.06522	5.7
133.10132	15.7
135.08058	16.1
135.11690	13.2
137.09590	8.7
137.41856	3.8
142.07770	5.2
143.08569	14.0
145.10132	73.9
146.10420	3.9
147.08031	11.4
147.11699	5.9
149.09622	4.0
151.07547	38.3
156.09302	6.3
157.10106	9.7
159.08098	6.0
159.11719	12.4
161.09656	6.4
163.11172	50.4
165.09081	12.8
171.11620	5.5
173.13164	3.8
175.11293	8.2
175.24026	3.2
185.13257	6.2
187.11235	9.8
189.12738	9.1
203.14297	8.4
207.10107	4.6
207.13905	7.7
209.15367	5.0
221.15349	24.4
233.15359	5.4
263.16431	4.8
284.94858	4.3
307.20685	4.0
325.21594	13.3
343.18921	3.6
343.22641	100.0
344.23038	8.4
359.38220	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03943	4.9
55.01866	4.5
55.05507	14.5
57.03425	7.5
57.07062	7.2
59.04993	5.6
67.05499	25.6
69.03411	8.9
69.07055	10.3
70.78683	7.0
71.04990	16.9
78.25539	2.2
79.05495	21.3
81.03398	3.2
81.07056	25.6
83.04961	4.1
83.60059	2.4
85.06534	4.3
86.23564	2.2
91.05473	29.9
93.07041	56.7
95.04965	47.4
95.08602	60.0
96.51437	2.6
97.06515	19.6
103.05446	2.9
105.07035	62.2
107.04968	3.2
107.08594	44.6
109.06505	16.2
109.10117	3.0
115.05457	5.9
117.07018	19.3
119.08592	26.4
121.06498	8.8
121.10165	14.1
123.08056	21.1
128.06218	3.3
129.06984	4.4
130.07809	14.5
131.08568	9.0
133.06493	4.6
133.10141	11.1
135.08061	22.2
135.11687	14.9
137.05920	3.1
137.09590	6.3
142.07773	2.8
143.08569	10.2
145.10123	63.9
146.94725	1.9
147.08023	11.9
147.11703	3.8
149.09612	3.9
151.07533	34.8
153.09120	5.4
155.08591	3.4
157.10106	8.6
158.10834	2.4
159.07996	2.5
159.11708	6.0
161.09601	7.1
163.09845	3.6
163.11185	53.1
165.09071	11.2
169.10161	5.6
170.10895	2.1
171.11673	5.1
173.09532	2.8
175.11191	3.2
177.09160	4.5
179.07098	4.0
181.12178	3.4
183.11607	3.0
185.13293	5.4
187.11174	3.4
189.12708	7.9
191.14287	4.1
197.13307	2.4
199.14882	3.1
203.14365	7.9
207.13826	5.4
209.13306	3.7
209.15347	6.1
215.14413	3.2
218.81708	2.8
221.15373	28.7
225.12825	2.1
245.15309	2.9
251.16353	2.8
263.16406	7.8
269.15417	3.6
275.26724	3.0
286.19345	6.2
297.14838	4.4
325.21527	12.6
343.22656	100.0
344.23050	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	343.227
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.01881	5.9
55.05519	14.3
57.03426	7.7
57.07061	7.8
59.04991	6.3
67.05502	23.4
69.03422	8.3
69.07061	9.3
70.66042	8.9
71.04992	13.9
75.07533	2.1
79.05506	21.5
81.03403	5.0
81.07062	23.7
83.04968	6.0
83.08608	4.0
85.06538	4.3
87.04475	2.9
91.05482	26.1
93.07049	52.4
95.04971	41.1
95.08056	4.6
95.08617	53.4
97.06528	15.0
105.06386	4.6
105.07037	55.3
107.08602	45.3
109.06505	11.8
109.10185	5.2
115.05508	3.7
117.07013	23.4
119.08595	19.3
121.06506	11.4
121.10171	14.4
123.08083	21.7
125.05968	2.8
128.06154	4.3
129.07051	5.4
130.07780	10.1
131.08569	5.7
133.06464	3.5
133.10135	14.0
135.08086	21.4
135.11717	11.9
137.09592	3.7
142.07791	3.3
143.08554	10.0
144.09332	3.2
145.06468	4.3
145.10135	58.4
147.08041	10.4
147.11708	4.9
149.09676	4.8
151.07529	33.3
153.09064	2.8
157.10115	12.7
159.11714	10.5
161.09616	8.2
163.11206	45.6
165.09077	14.7
167.07196	2.4
169.10097	4.3
171.11749	4.7
173.09659	3.3
173.13263	3.9
175.11192	4.2
177.09134	4.7
179.06964	4.5
181.10039	2.4
183.11696	5.0
185.13173	3.7
187.11186	5.1
189.12672	5.6
193.10164	3.0
197.13333	5.1
203.14333	8.5
207.11789	2.5
207.13786	5.2
209.15459	4.4
215.14302	2.9
215.17934	2.9
217.12187	2.6
221.15364	26.5
233.15462	3.5
241.15878	2.7
263.16504	5.8
286.19141	3.0
312.26370	2.3
325.21667	13.8
343.19180	5.0
343.22675	100.0
344.23111	5.2
366.31732	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	343.2269
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
55.05516	30.0
56.96574	17.5
67.05503	40.6
69.07058	27.5
70.02626	30.9
70.03033	81.0
71.04998	21.1
79.05482	36.9
81.07072	48.2
83.08604	22.5
87.51829	17.6
91.05475	52.1
93.07040	92.2
95.04973	74.6
95.08615	100.0
97.02895	15.4
97.06546	48.4
105.07030	91.8
107.08598	48.9
109.06480	24.4
109.10178	17.6
117.06997	21.1
119.08588	53.9
121.06570	22.7
121.10164	28.5
123.08120	27.3
131.08588	18.1
133.10136	17.9
135.08080	22.3
145.10094	90.9
147.79553	16.2
151.07529	32.3
157.10181	18.9
159.11761	19.3
160.20772	15.5
163.11166	46.2
165.09097	23.8
182.31548	15.6
192.95331	17.3
213.16350	15.3
221.15321	28.2
343.22726	89.0
343.26480	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	343.2268
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03939	2.7
54.67553	1.4
55.01855	4.5
55.05312	0.9
55.05516	10.7
57.03439	5.8
57.07086	6.2
59.04983	2.9
63.73783	1.1
67.05507	16.4
67.54681	0.9
69.03430	7.1
69.07063	4.5
71.04646	2.2
71.04985	14.0
71.38735	1.1
79.05128	1.3
79.05498	16.2
81.03390	1.6
81.07059	20.0
83.04986	4.0
83.08594	3.2
85.06535	2.6
88.43626	0.9
91.05482	22.3
93.07043	55.9
95.04972	37.9
95.08610	52.1
95.09082	0.7
95.09241	1.4
96.08930	1.2
97.06525	13.1
97.12909	1.3
100.74395	1.1
103.05479	2.7
105.07027	55.0
107.04951	2.6
107.08594	39.7
109.06517	12.1
109.10150	4.1
111.08092	1.8
115.05441	5.3
116.06242	1.9
117.07023	20.4
119.04901	1.4
119.08578	23.8
121.06493	10.9
121.10126	13.3
122.07276	1.2
123.08067	17.4
125.05977	4.3
125.09655	1.3
128.06229	3.5
129.06976	4.1
130.07796	9.7
131.08574	6.5
133.06505	4.1
133.10147	11.3
135.08055	20.3
135.11705	10.2
137.05939	2.4
137.09659	5.8
139.11130	1.3
142.07770	3.0
143.08542	8.3
145.10126	65.8
146.10439	1.1
147.08041	9.5
147.11697	5.6
149.09579	5.4
151.07544	34.8
153.09111	2.1
155.08551	3.0
156.09352	1.7
157.10153	8.5
159.08063	3.1
159.11642	7.1
161.09634	5.8
161.13277	3.1
163.07530	1.5
163.11171	52.3
164.11546	1.3
165.09128	14.2
169.10127	2.2
171.11693	5.4
172.09064	1.1
173.09621	4.3
173.13240	3.7
175.11194	4.5
177.09109	5.0
179.06998	4.6
179.10762	1.4
181.10066	1.8
181.12253	3.1
182.10849	1.3
183.11760	2.6
185.13213	2.6
187.11160	5.3
187.14928	1.4
189.12752	9.0
191.14348	3.0
193.10185	2.6
195.11676	1.3
197.13368	1.7
199.14711	1.5
201.12767	2.3
203.14259	7.0
207.10030	1.7
207.13762	6.3
209.13370	1.7
209.15356	4.1
213.12785	2.0
215.14343	3.2
221.13390	2.4
221.15366	27.7
223.14822	2.5
225.12729	2.6
233.15408	3.0
239.14249	1.1
241.15862	3.3
243.13760	1.5
251.14299	1.9
251.16647	1.7
263.16302	6.2
269.15363	2.6
281.47302	1.3
286.19327	2.8
287.16608	2.2
287.19873	2.7
304.09283	1.1
307.20477	1.7
325.21585	9.6
343.22687	100.0
344.23135	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	343.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.9
55.01862	2.5
55.05507	2.5
57.03431	3.3
57.07077	2.2
59.04987	1.1
61.02928	5.4
65.03937	0.9
67.05479	2.7
69.03432	17.2
69.07063	2.0
70.06584	2.7
71.04983	4.0
71.16095	1.4
71.16431	2.1
72.08170	1.5
73.02915	2.2
79.05501	6.7
81.03415	6.9
81.07062	10.8
83.01335	1.1
83.04981	7.7
83.08621	1.1
84.08131	1.9
85.02908	43.0
85.06557	1.4
86.09699	5.4
87.04472	1.9
91.03956	3.8
91.05487	8.0
93.07043	10.7
93.67722	1.0
95.04972	20.2
95.08610	4.9
97.02905	14.0
97.06536	6.5
99.04427	3.1
103.05420	1.5
105.07034	9.6
107.04954	2.2
107.07057	1.3
107.08591	11.8
109.02880	3.5
109.06526	7.3
111.08086	1.0
116.07085	2.2
117.07001	2.9
119.04938	0.9
119.08585	4.1
121.06483	4.6
121.10152	12.3
122.09592	1.0
123.04424	1.5
123.08075	4.4
125.05994	11.6
127.03928	10.5
129.07001	1.8
130.07794	1.7
133.06483	1.1
133.10150	3.2
135.08099	2.0
135.11684	7.5
137.05956	5.4
137.13219	1.1
143.08540	1.3
145.04968	10.3
145.10126	16.0
146.36487	1.0
147.08049	1.5
147.11658	3.1
149.05971	1.5
149.09517	1.3
161.05978	1.7
161.09598	1.8
163.07516	4.2
163.11180	100.0
164.07013	0.9
164.11644	1.5
165.09137	1.5
165.12755	5.5
167.07042	3.0
175.07610	1.2
175.11215	2.5
181.08708	1.5
181.12234	32.7
182.11729	1.9
187.09769	1.1
189.09143	2.1
193.12096	1.2
205.12239	2.3
223.13286	4.1
227.08519	1.7
299.12888	1.1
307.15356	1.8
311.12897	1.3
343.13110	6.9
343.17224	2.7
343.30713	1.2
344.25119	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	343.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.0
55.01861	1.3
55.05499	2.4
56.96566	1.0
57.03425	3.0
57.07077	1.9
57.07537	0.7
61.02940	4.6
67.05502	1.7
69.03432	14.9
69.07058	1.8
69.68145	5.4
70.06576	1.8
71.04979	3.2
73.02921	2.0
79.05488	2.9
81.03431	5.4
81.07051	8.0
83.04964	6.1
85.02906	34.3
86.09707	2.0
87.04451	1.7
88.39353	0.7
91.03937	1.4
91.05473	5.2
93.07055	9.0
95.04968	18.8
95.08602	2.8
97.02901	10.0
97.06528	4.1
99.04453	2.6
103.03934	0.8
105.07032	7.7
107.04924	1.3
107.08597	10.9
109.02883	2.4
109.06552	3.5
109.10159	0.8
110.96909	0.7
111.08073	0.8
117.06998	3.1
119.08564	4.6
121.06493	4.2
121.10143	13.2
123.08098	3.3
125.05978	14.2
127.03925	8.2
129.07030	1.1
130.07770	2.8
131.08545	0.7
131.21344	0.8
133.06525	1.5
133.10150	1.5
135.08005	1.3
135.11690	7.5
136.07608	0.8
137.05988	3.8
137.09668	0.9
138.06277	0.8
143.08548	2.0
145.04970	8.6
145.10118	16.6
147.08043	1.1
147.11678	1.0
148.08836	0.8
161.09645	1.4
163.11189	100.0
164.11559	2.5
165.09119	1.6
165.12747	4.5
167.07083	1.7
173.04498	0.8
175.07596	1.4
175.11176	2.0
181.12228	23.6
183.10251	0.8
187.11182	0.9
193.12253	0.9
205.12228	1.3
223.13345	1.5
229.10553	1.1
239.11395	0.7
251.04056	0.7
251.09187	0.9
267.10724	0.7
281.13593	1.6
307.15344	1.7
325.13467	0.9
343.13651	20.7
343.17538	1.5
344.13538	1.4
366.79092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0207
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96449	2.9
56.96754	1.5
71.56889	0.7
71.57294	0.6
98.95322	0.5
98.97433	14.2
98.98124	1.3
100.97070	0.6
102.96766	0.7
116.00094	0.6
116.98459	18.1
116.99337	1.4
119.01782	1.7
134.01164	0.6
134.99487	14.3
138.79758	0.5
140.00034	0.7
153.00526	2.0
157.16547	0.6
158.01064	0.9
158.99812	0.8
159.06073	0.6
160.04443	0.6
164.24162	0.5
174.97462	1.9
176.97444	0.6
177.00946	5.7
178.00883	1.2
179.00655	1.4
183.06027	1.5
190.95215	0.8
192.98772	3.3
193.98880	0.6
194.98314	1.5
201.07205	2.7
216.98741	5.3
218.03510	1.2
218.98514	2.9
219.01987	12.1
220.02005	3.2
221.01750	3.6
225.00676	0.6
234.96283	1.3
234.99849	16.0
235.99983	2.6
236.99471	7.7
240.98865	2.0
242.03413	0.9
243.01917	0.8
245.35912	0.5
252.97403	3.0
253.01004	3.2
254.00917	0.7
255.00290	0.7
258.01318	0.7
258.96677	1.6
258.99957	22.4
260.00012	7.5
260.04688	1.6
260.99561	3.1
261.02960	9.7
262.03049	1.1
263.02762	0.7
264.98773	3.8
265.99069	0.7
273.98489	0.7
274.97528	2.3
275.97925	0.8
276.02386	0.9
276.97522	8.8
277.00912	30.0
277.98163	0.5
278.01038	11.2
278.04080	1.0
278.96710	1.7
279.00674	4.6
280.00949	0.8
282.99988	45.1
283.06171	3.0
284.00073	7.3
284.99820	0.7
292.98712	1.5
294.98578	1.8
296.97729	1.7
300.02502	0.9
300.97620	10.7
301.01013	100.0
301.97815	1.1
302.01138	16.6
302.04575	0.6
303.01126	2.3
304.01059	0.8
306.08099	0.7
317.99094	1.7
318.98587	24.3
319.02115	6.4
319.98660	2.5
320.02136	1.0
324.02722	4.3
325.00861	6.4
325.06931	0.8
326.01086	0.9
336.99695	1.4
342.00275	1.5
342.98853	2.5
343.02145	42.4
343.08597	2.2
343.98254	0.6
344.02194	10.6
360.99573	10.7
361.03268	15.4
361.99396	1.0
362.03665	3.4
366.03781	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67345	5.9
55.05507	13.6
57.07070	9.0
67.05521	27.1
69.03415	10.2
69.07050	12.3
71.59950	8.7
77.00909	11.0
79.05492	19.3
81.07059	42.0
83.08603	7.6
91.05494	15.3
93.07047	22.1
95.01944	9.2
95.04950	9.5
95.08601	27.3
97.06489	8.4
100.39598	5.5
105.07025	16.2
107.08586	16.4
109.06553	6.1
109.10144	10.7
115.31296	5.6
115.65781	6.3
119.08582	14.9
121.10165	10.9
127.19901	5.2
131.01924	10.2
131.08559	10.4
133.10179	8.5
133.29922	6.2
135.08098	7.0
135.11737	12.1
136.18123	6.4
138.86076	5.7
145.10181	7.5
147.11607	10.0
148.52571	6.2
149.13298	8.0
151.07544	11.5
159.11670	9.9
195.13799	7.3
200.05733	5.7
230.24808	13.8
275.20059	11.0
294.91312	5.6
301.20172	19.6
317.19656	9.4
319.21176	75.7
320.21613	10.8
337.22235	100.0
338.22556	7.2
342.22913	33.6
342.37277	31.0
343.22693	9.3
360.23889	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	342.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50376	1.1
53.03933	2.9
54.88020	1.2
55.01857	4.9
55.05509	47.3
57.03432	2.4
57.07083	1.5
59.04977	1.8
65.63213	1.2
66.32338	1.3
67.05506	19.4
69.03435	6.8
69.07066	21.5
69.32099	14.5
71.04992	2.4
71.33351	1.3
79.05496	27.9
81.03432	1.2
81.07056	21.7
83.04963	5.7
83.08617	35.3
85.06527	2.1
91.05481	12.9
93.07040	21.6
95.05009	6.2
95.08602	17.0
97.06534	6.6
97.10171	73.7
105.07029	21.4
107.04966	1.4
107.08598	84.1
108.08910	1.3
109.06510	4.3
109.10130	4.5
111.08097	2.7
115.05440	1.5
117.07018	6.6
119.08566	10.1
121.06480	2.6
121.10125	4.6
123.08062	3.3
123.11700	1.8
124.11213	2.0
125.09628	76.6
125.59518	1.3
131.08582	4.6
133.10126	8.1
135.08049	16.8
135.11678	4.4
143.08543	2.3
143.10684	1.3
145.10118	16.2
147.11684	8.4
149.09610	4.9
151.07545	4.9
153.09109	12.2
157.12245	5.6
159.11703	3.8
161.09592	1.8
161.13269	1.4
163.11182	5.5
169.10129	1.4
171.10152	4.6
171.11633	2.6
173.13251	3.1
175.11226	1.2
181.12210	2.1
185.13254	2.2
187.11038	1.5
189.12737	2.1
191.76732	1.4
193.12384	1.4
197.13264	1.4
203.12785	100.0
213.12770	1.3
213.14832	2.2
221.15279	2.5
239.18034	3.4
257.19040	11.6
275.20050	37.8
289.21603	18.6
307.22711	12.0
343.18744	5.7
343.22711	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	342.243
Annotation	Daphnilactone B
Peak:m/z	Relative Intensity
50.89846	0.2
52.61160	0.3
53.03942	0.4
53.87398	0.3
55.01847	0.3
55.05505	0.6
56.96563	1.6
57.03430	0.4
59.04992	0.3
61.02922	0.5
67.05505	1.4
67.68349	0.2
69.03435	1.8
69.07059	1.1
70.06606	0.3
71.05000	0.8
71.61287	0.4
73.02921	0.4
76.14211	0.2
79.05492	0.6
81.03416	0.6
81.07063	2.0
83.04984	0.4
83.08627	0.3
85.02911	3.6
85.06571	0.2
87.04471	0.6
91.03973	0.5
91.05489	0.4
93.07041	1.2
95.04971	0.7
95.08607	1.2
97.02882	1.3
97.06532	1.4
99.04492	0.6
99.08137	0.4
105.07021	0.6
107.08599	0.9
109.02900	0.4
109.06538	0.3
109.10173	0.9
116.98595	0.3
117.06914	0.3
119.08566	0.8
121.10172	0.5
123.08059	0.3
123.11755	0.3
127.03906	1.2
129.06990	0.3
131.08586	0.3
131.63954	0.2
133.10133	0.7
134.99626	0.3
135.11703	0.3
141.01990	0.2
145.04935	0.9
145.10172	0.5
149.13333	0.4
150.09143	0.5
151.07547	1.5
156.07971	0.3
159.11809	0.3
163.11230	0.5
167.10858	0.3
171.68372	0.3
181.10144	0.5
181.12291	0.3
182.09624	0.4
183.10342	0.4
184.11159	0.4
189.11508	0.5
196.11186	0.7
198.12804	0.7
200.10765	2.9
208.11234	2.5
209.11925	0.6
210.12895	0.4
222.12729	0.5
226.12332	0.4
228.13902	0.3
229.75005	0.3
240.13818	0.9
243.15155	0.3
244.13309	0.4
251.19844	0.3
252.15628	1.2
258.14890	1.6
261.16315	1.6
261.66360	0.5
264.17334	0.3
268.20670	3.1
270.14899	9.2
271.15558	1.4
280.20615	2.0
284.16592	0.4
298.21634	1.0
299.12982	0.2
312.19626	0.6
326.21158	1.1
327.21869	0.6
333.18320	0.7
342.24304	100.0
343.15332	0.5
343.24658	4.5
351.22079	0.4
353.23734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15177	2.0
51.66102	2.4
53.03939	3.9
53.79622	2.7
55.01865	14.8
55.05515	19.7
56.96551	6.9
57.03434	12.0
57.07076	11.8
64.99341	2.6
67.05504	83.1
69.03420	10.9
69.07073	29.2
69.29553	19.0
69.29978	8.9
71.05002	14.4
71.08620	6.9
74.83257	2.6
75.63698	2.2
79.05490	38.1
81.03404	9.6
81.07055	65.8
82.07364	2.3
83.04980	16.2
83.08614	8.4
85.02882	7.4
85.06538	10.6
85.10159	2.7
87.34737	2.6
91.05480	55.1
93.07047	40.9
94.07400	3.6
95.04965	27.0
95.08608	25.6
96.05328	2.4
97.02876	3.1
97.05910	5.0
97.06532	100.0
97.10144	3.6
98.21509	6.1
98.97568	4.2
99.04449	6.6
99.08091	3.6
103.05386	3.6
105.07029	65.3
106.07348	3.0
107.04951	6.6
107.08596	49.4
109.06528	17.4
109.10158	93.3
111.08076	17.0
113.05976	10.2
116.98624	2.5
117.07018	8.4
119.08596	16.0
121.06482	9.5
121.10120	5.7
123.04418	3.1
123.08076	8.8
123.11736	13.3
124.08372	3.9
125.09627	7.6
127.07499	4.8
129.07005	4.0
131.08571	11.9
133.06499	6.2
133.10130	95.7
134.99586	2.8
135.08032	4.7
135.11681	6.0
137.06044	2.9
137.09564	4.0
143.08557	4.8
145.06511	2.9
145.10129	7.7
147.08134	3.4
147.11679	3.6
149.09631	6.3
151.11182	51.6
157.10022	2.6
159.08044	5.4
159.11726	3.9
161.09579	8.7
163.11237	4.0
167.10703	2.9
169.12230	11.8
171.11681	3.1
173.09601	4.1
173.13333	3.4
179.10648	3.5
181.12173	2.9
183.17461	3.7
189.11211	4.0
193.12347	2.6
217.07323	2.6
221.11720	5.1
240.23209	63.2
255.09099	6.0
261.18515	7.8
273.10022	4.8
285.10114	3.1
289.17969	23.7
292.19995	3.0
307.18979	13.2
342.21371	3.0
342.28610	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	342.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	0.8
56.96581	0.6
57.03436	5.4
61.02930	2.0
69.03426	3.7
70.06591	1.3
70.53400	1.1
70.53792	1.1
70.57401	0.6
71.04983	2.6
71.08628	2.0
73.02921	0.8
76.10865	0.6
79.05511	1.0
81.03421	1.1
81.07063	3.2
85.02910	14.5
91.03943	1.2
97.02897	3.8
99.04501	0.8
99.07475	1.0
99.08098	14.7
109.02885	1.5
109.06535	2.1
110.07153	0.6
111.04441	0.6
117.09135	100.0
118.09494	1.7
127.03937	2.6
127.07595	3.1
145.04994	2.8
152.54150	0.6
162.05496	3.3
163.03925	1.9
163.09662	16.9
163.73415	0.6
164.10028	0.7
179.03433	4.1
179.14355	0.7
180.03746	4.6
180.06610	0.8
185.47156	0.5
208.08159	0.9
343.13742	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	342.2122
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56916	0.6
55.01863	0.6
55.05510	7.7
56.96545	1.1
57.03425	1.5
57.07071	10.8
59.04976	0.6
61.02908	2.0
69.03427	3.5
70.06594	1.1
70.83492	0.8
70.83849	1.1
73.02923	1.0
79.05490	0.8
79.84550	0.5
81.03404	1.6
81.07029	0.6
83.08633	3.2
85.02902	16.1
86.09689	0.7
86.84158	0.5
87.04451	1.0
89.06029	31.3
91.03986	0.8
93.07073	0.6
95.04987	0.6
97.02881	3.4
98.97575	2.0
101.09653	12.9
107.07063	32.4
109.02875	2.3
116.98603	1.1
127.03914	1.9
145.04945	2.7
145.12256	1.1
155.88147	0.6
163.13287	100.0
164.13696	1.4
172.04286	1.3
202.07274	0.6
237.00288	0.5
237.02858	1.4
252.09236	0.6
280.77954	0.7
301.09592	1.2
319.10568	2.1
342.14667	2.0
343.08823	0.8
343.12534	3.9
343.16440	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94066	2.1
54.63573	2.1
55.05508	13.3
57.07071	5.0
67.05503	25.2
67.33419	2.1
69.07063	18.8
70.28708	11.8
71.04996	21.3
71.08636	4.8
79.05482	23.8
81.07050	87.7
83.08629	8.5
85.06549	5.3
91.05460	14.2
93.07039	78.7
95.04987	3.8
95.08604	75.5
97.06565	3.2
97.10186	8.8
105.07034	49.8
105.07687	4.5
107.08582	61.0
109.06536	10.8
109.10155	40.9
111.08080	17.3
111.11750	3.6
113.09659	2.7
117.07012	5.1
119.08573	100.0
121.10129	54.1
122.25351	2.3
123.08089	3.6
123.11719	23.5
129.07018	4.0
131.08559	17.6
133.10127	30.3
135.11691	34.7
137.09613	7.3
137.13292	6.3
143.08582	5.5
145.10143	25.1
147.11690	21.3
149.09615	4.7
149.13254	42.9
151.11195	5.7
151.14865	3.1
156.09413	2.7
157.10120	16.8
159.11684	42.8
161.13269	27.8
163.14801	34.2
169.10188	4.8
171.11734	9.5
171.96527	2.3
173.11836	2.2
173.13261	33.4
175.14836	15.4
177.12791	6.4
177.16447	5.5
179.14360	4.9
183.11687	3.1
185.13297	9.0
187.14819	25.4
189.16356	17.9
191.14301	3.6
191.17940	31.9
197.13330	4.3
199.14891	8.1
201.16315	12.3
203.18076	5.8
211.14859	4.5
213.16339	17.6
215.17928	13.5
217.19579	3.4
225.16512	6.7
227.17972	15.6
229.19611	8.7
239.18086	2.5
241.19571	2.9
243.21085	3.3
245.18959	2.8
253.19450	4.6
255.21153	3.5
257.22726	10.4
267.21124	9.5
271.24261	6.0
281.22552	6.0
283.24179	57.5
283.27090	3.8
321.33667	2.3
323.27316	61.7
323.31131	3.9
341.28442	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91961	0.5
55.01852	0.8
57.03437	10.4
57.07073	13.6
59.04983	1.0
60.05798	0.4
61.02913	1.6
67.05499	1.8
68.26057	0.5
69.03436	2.8
70.06567	0.7
71.04998	2.5
71.10101	1.2
71.10451	0.4
81.03421	0.8
85.02899	9.4
85.06541	16.7
91.03957	0.6
95.04963	3.7
97.02901	1.4
101.06033	2.9
103.07580	100.0
104.07930	0.8
109.02868	0.8
113.05995	4.8
120.08089	0.9
127.03897	1.4
127.07549	11.0
130.97337	0.4
131.07047	4.3
134.03055	0.5
138.09192	1.2
145.04948	1.4
145.08592	8.1
163.09654	51.5
164.09961	0.6
179.03380	5.8
180.03714	8.9
259.65781	0.5
342.12039	1.3
343.13672	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.01875	2.9
55.05514	20.6
56.96558	3.1
57.03444	3.7
57.07070	7.4
59.05001	3.4
65.03950	1.6
65.20333	1.7
67.05504	30.8
69.03430	9.0
69.07067	34.2
69.86530	9.8
70.06602	1.7
71.05001	11.2
73.02907	1.6
74.41976	1.5
79.05493	18.5
81.03424	2.8
81.07061	100.0
82.07380	2.0
83.04988	11.4
83.08613	8.6
85.02885	1.9
85.06547	10.5
86.09699	3.1
91.05473	16.6
93.07046	59.6
95.04969	24.2
95.08607	63.1
95.18066	1.8
95.58002	1.5
97.02881	2.0
97.06523	4.4
97.10185	7.4
98.20759	3.1
99.04429	2.1
99.08078	4.6
100.11288	7.4
101.05996	1.7
105.06386	2.1
105.07031	23.0
107.04951	1.9
107.08600	33.6
109.06519	12.1
109.10156	49.0
111.08089	22.9
111.11723	4.7
113.09612	2.6
116.98504	1.6
117.06995	3.7
119.08597	19.5
119.09381	2.8
121.06521	1.9
121.10137	29.0
123.08064	4.6
123.11716	36.9
125.09645	10.9
127.07505	2.3
127.11160	4.8
129.06931	1.6
131.08563	6.0
133.10146	13.8
135.08035	3.5
135.11693	16.2
137.05971	4.7
137.09624	6.3
137.13255	38.1
139.11192	7.0
141.12791	2.2
143.08589	2.4
145.10100	8.0
147.08090	1.7
147.11691	20.0
149.09613	3.8
149.13242	11.3
151.11147	4.4
153.03407	1.6
153.12743	7.1
155.10612	1.9
157.10098	4.4
159.11740	7.6
161.06062	1.5
161.09605	1.9
161.13338	9.3
163.07477	1.5
163.11148	3.0
163.14822	4.8
165.09129	1.5
165.12727	6.4
167.07008	1.5
167.10652	3.5
167.14272	2.1
169.12280	2.8
171.11641	1.8
173.13278	5.9
175.14845	4.0
177.12772	1.9
177.16385	3.0
181.12300	3.4
182.15486	3.2
183.13799	2.1
185.13263	2.4
187.07466	2.1
187.14813	3.3
189.16341	4.5
199.14830	2.1
201.16420	5.6
202.39207	1.5
203.18013	3.5
210.14993	2.0
213.16345	3.1
215.17815	2.5
217.19543	2.5
223.16837	1.6
229.19679	1.6
249.18379	2.2
269.22543	3.5
275.23727	3.4
277.22778	2.8
285.10065	2.7
287.23743	8.4
293.24646	8.1
305.24805	18.8
311.25803	2.2
312.05447	2.1
323.25876	15.6
341.05508	2.5
341.09369	7.0
341.13455	2.4
341.20816	2.6
341.27087	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97652	2.4
53.03939	3.6
55.01873	4.1
55.05507	19.0
56.96561	3.3
57.03418	3.4
57.07067	11.3
59.05001	5.9
67.05506	30.5
69.03440	14.3
69.07070	50.7
70.07397	2.8
70.62170	8.2
71.04990	20.2
71.08636	5.4
79.05506	22.9
81.03410	4.9
81.06582	5.9
81.07056	100.0
83.04977	6.8
83.08632	16.1
85.02910	4.9
85.06540	12.1
87.04430	2.8
90.26876	2.3
91.05457	21.8
93.07047	65.1
95.04970	21.6
95.08609	66.2
97.02876	3.1
97.06529	15.8
97.10176	9.5
98.10555	3.0
98.97590	3.9
99.08102	8.4
102.08993	2.5
105.07005	23.3
107.04966	4.3
107.08595	38.2
109.06507	11.3
109.10162	50.8
111.04455	3.0
111.08073	19.0
111.11749	7.3
117.07034	4.5
119.08578	22.8
120.08098	3.8
121.06528	4.5
121.10139	41.9
123.04410	5.9
123.08046	8.0
123.11698	43.0
125.09624	18.2
127.11243	4.2
129.06999	4.2
131.08582	8.5
133.10136	15.6
135.08128	3.6
135.11703	24.2
137.06001	9.8
137.09578	8.4
137.13228	28.2
139.11194	14.3
140.11540	3.6
143.08539	5.7
145.10150	9.1
147.11679	19.0
149.06026	4.0
149.09624	7.0
149.13289	14.7
151.11227	5.8
153.12755	5.6
159.11696	11.5
161.13274	3.7
163.07541	5.8
163.11159	5.9
163.14853	4.8
165.12749	10.5
167.10696	4.9
169.12222	4.5
171.11699	5.1
173.13234	5.7
175.14845	5.4
177.00696	3.0
177.12743	4.6
177.16260	4.3
181.12224	5.1
185.13260	2.9
191.17883	2.5
195.11850	3.5
195.13750	3.4
199.07549	3.1
201.16370	3.9
203.17848	2.7
205.19510	3.1
213.16522	5.0
214.18042	3.4
219.08058	2.8
237.18498	4.0
244.15442	2.9
257.22870	3.7
270.09866	3.7
277.25150	2.9
287.23642	5.7
291.10049	4.5
293.24756	10.6
297.11392	3.5
305.24707	22.2
323.25803	16.2
341.13913	7.6
341.21014	11.9
341.24655	3.6
342.14191	13.5
355.13644	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	341.2687
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	2.9
55.05511	17.0
57.03437	4.4
57.07067	5.6
59.05006	3.4
59.81534	1.4
61.57743	1.6
67.05504	31.8
69.03419	10.0
69.07066	29.4
69.51250	3.9
69.51671	7.9
71.04987	10.2
77.35795	1.3
79.05497	20.3
80.05830	1.7
81.03410	2.3
81.07056	100.0
82.07375	1.4
83.04995	8.3
83.08620	9.5
85.02906	3.3
85.06548	12.2
86.09705	1.6
91.05437	10.9
91.69386	1.4
93.07037	38.7
95.04977	12.3
95.08606	49.8
97.02885	18.2
97.06551	8.5
97.10163	5.3
99.04442	1.8
99.08073	7.2
101.06014	2.2
102.63471	1.5
103.05502	1.6
105.07036	20.9
107.04950	2.1
107.08595	33.0
108.08916	1.4
109.06512	8.9
109.10159	46.2
110.10510	1.7
111.04414	1.9
111.08083	16.8
111.11719	2.1
113.06022	1.9
115.05417	1.5
117.07019	3.5
119.08585	16.8
121.06485	3.7
121.09315	2.3
121.10144	32.3
122.03612	1.5
123.08063	4.9
123.10809	3.1
123.11706	55.9
125.09592	7.0
127.07538	1.3
127.11178	3.9
128.06233	1.6
129.07011	3.7
130.08643	1.9
131.04909	2.3
131.08572	3.9
133.02820	1.9
133.10138	10.4
135.08054	2.9
135.11694	18.4
137.05002	2.4
137.05978	30.9
137.09596	4.4
137.13219	10.3
139.11180	10.8
141.12770	3.2
143.08545	1.9
145.10100	6.7
147.11694	10.8
149.06006	1.9
149.13258	10.0
151.07535	3.7
151.11168	5.4
153.12781	10.4
157.06509	1.4
157.10182	1.8
159.11705	5.7
161.09619	2.2
161.13249	5.3
163.11215	6.2
163.14824	3.9
165.12744	5.3
167.14264	2.2
169.12244	2.4
169.20351	1.3
171.11642	2.4
171.13850	1.5
173.13292	3.3
175.07544	4.9
175.14890	2.6
177.05489	3.5
177.12744	5.3
177.16389	2.5
179.03355	1.7
181.12247	5.6
187.07509	9.2
187.13292	4.8
187.14832	2.4
189.09143	3.8
189.16273	2.9
191.10541	1.9
199.07680	1.7
199.14827	3.9
201.16498	2.4
203.08600	2.6
207.17465	1.5
210.14919	1.8
211.07549	6.0
213.16386	3.2
217.08620	4.8
220.08731	2.4
225.18483	2.4
227.06996	7.6
227.12784	3.1
229.19554	1.7
231.08128	4.0
231.17374	1.7
239.06990	2.1
240.07764	3.0
248.08278	4.2
249.08987	2.3
255.06534	5.7
259.07788	1.6
263.10736	5.4
269.22644	2.9
270.08887	9.6
271.09595	11.7
275.23810	3.5
276.07794	2.2
277.08557	2.2
279.10028	3.5
283.09723	3.0
287.23700	8.6
291.10159	16.3
292.10721	4.0
293.24847	4.3
305.24704	28.7
308.10791	1.9
308.62842	1.4
309.11124	3.2
311.12817	3.8
323.09424	1.9
323.12674	10.4
323.25699	20.7
324.13126	2.8
324.21652	1.6
341.13370	9.6
341.26740	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	341.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.6
55.01878	1.9
55.05511	16.8
56.73109	1.6
56.96561	2.5
57.03434	3.9
57.07071	3.7
59.04995	2.3
67.05510	34.4
69.03429	6.9
69.07071	30.5
71.04995	10.6
71.15774	3.6
72.08170	2.7
74.02461	2.0
79.05493	21.0
81.07060	100.0
83.04979	9.0
83.08618	11.4
84.08143	3.0
85.06544	15.2
86.09695	4.5
91.05466	13.2
93.07044	40.8
94.04183	1.8
95.04974	12.8
95.08614	51.0
97.02905	21.4
97.06559	9.4
97.10182	5.7
99.04495	2.4
99.08101	7.3
105.07031	19.3
107.04972	3.0
107.08604	39.4
109.06537	11.6
109.10160	53.6
111.08086	16.1
111.11732	4.7
115.03959	1.5
117.07018	3.2
119.08567	15.7
121.10150	34.0
122.03671	2.6
123.08060	2.7
123.10825	2.7
123.11715	51.4
125.05987	2.6
125.09645	4.1
127.11217	5.3
129.07034	5.1
131.04973	1.8
131.08566	5.8
133.02931	2.1
133.10141	11.5
135.11699	21.0
136.74026	2.1
137.06000	41.3
137.09612	3.9
137.13268	10.3
139.11163	9.6
141.12683	2.8
143.08627	2.0
145.06491	1.8
145.10144	7.8
147.11697	14.0
149.09572	1.8
149.13225	9.2
151.07619	5.2
151.11169	3.3
153.05472	2.5
153.12752	10.1
155.10675	2.6
157.06573	2.6
157.10109	5.3
159.11705	7.0
161.05986	2.4
161.13281	6.4
163.11197	7.0
163.14867	3.2
165.05496	4.7
165.12816	7.5
167.10690	1.9
169.12314	2.1
173.13284	4.2
174.06786	3.1
175.07562	9.1
175.14877	2.2
177.05492	2.2
177.12816	3.1
177.16457	5.0
179.07062	2.9
181.12207	2.8
187.07532	13.6
187.13301	2.3
189.09100	3.5
189.16397	3.4
191.08762	2.0
191.10559	4.4
196.05293	1.9
201.16469	3.7
203.08621	5.5
205.15884	3.0
211.07535	7.7
213.16437	3.3
217.08662	6.6
219.08089	3.2
220.08939	2.2
225.08951	2.0
227.07069	8.2
227.12802	3.8
231.08121	6.7
238.60286	1.9
239.07092	4.3
240.07738	4.9
247.07677	4.0
248.08305	8.1
255.06601	6.9
259.07474	2.6
263.10721	7.6
265.08627	2.4
269.22690	5.3
270.08908	13.4
271.09650	20.3
275.23785	2.9
276.07745	4.6
277.08606	2.1
279.10220	3.0
283.09708	4.9
287.23795	9.8
291.10123	24.9
292.10690	3.2
293.24750	5.8
296.10333	2.5
297.11142	2.9
305.24765	25.8
311.12891	5.6
323.12659	20.0
323.25751	18.2
324.13202	2.3
341.13593	10.1
341.26950	3.9
342.22549	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	341.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.4
55.01881	3.4
55.05507	23.2
56.96550	4.3
57.03423	5.5
57.07062	9.7
59.05000	6.0
61.02914	3.2
65.03956	2.6
67.05508	25.5
69.03432	14.8
69.06725	3.3
69.07069	47.4
69.32677	15.7
69.33103	8.1
70.06596	3.5
71.04990	13.9
71.08620	4.0
75.16122	2.3
79.05486	20.8
80.33547	2.3
81.03436	4.1
81.07056	100.0
83.04967	7.4
83.08620	13.3
85.02903	11.0
85.06538	12.4
91.05456	14.0
93.07046	55.8
95.04390	2.9
95.04909	13.1
95.08604	57.7
97.02894	8.1
97.06501	17.8
97.10188	18.6
98.97620	4.5
99.04443	4.7
99.08062	2.9
105.07025	24.0
107.04971	6.4
107.08588	36.1
109.06508	10.3
109.10158	39.2
111.08094	7.8
111.11723	8.9
113.05964	3.2
115.07574	2.6
117.07017	3.2
119.08576	18.1
121.06481	5.7
121.10138	51.5
123.04464	3.2
123.08042	6.4
123.11706	87.1
124.77087	2.3
125.09677	4.5
127.03893	5.5
129.07005	3.1
131.08560	6.9
133.10144	12.8
135.08041	3.4
135.11685	21.9
137.05991	7.7
137.09627	4.8
137.13280	11.1
139.11182	19.6
143.08528	5.0
145.10139	10.1
147.11693	9.0
149.09662	4.4
149.13249	20.6
151.07542	6.0
151.11168	5.8
153.12770	5.9
154.12225	2.2
155.14282	2.6
157.10124	3.4
157.12238	14.5
159.11696	6.1
161.09651	5.3
161.13286	7.5
163.11217	7.8
163.14825	5.6
165.09142	4.7
165.12773	4.1
167.10715	5.9
171.11731	3.5
173.04797	2.6
173.13266	2.5
175.14871	5.0
177.16306	3.0
179.03442	3.1
181.12285	6.3
197.05930	3.0
203.17918	4.4
205.93953	2.3
229.14244	3.5
241.82350	2.4
251.14816	3.0
255.06476	4.2
260.15430	3.8
269.22659	3.1
279.10007	2.7
280.00421	2.9
287.23697	7.1
293.24805	7.7
297.11252	14.1
305.24750	28.1
323.12762	5.7
323.19751	2.5
323.25784	22.4
341.13800	11.1
341.17688	3.8
341.21390	21.3
342.24335	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62151	2.1
55.01861	2.9
55.05294	2.3
55.05512	23.0
56.96550	3.5
57.03428	4.1
57.07069	5.2
61.02919	3.7
63.82581	1.9
63.83049	1.7
67.05504	26.1
69.03414	7.5
69.06729	2.2
69.07066	32.1
71.04979	5.4
71.59682	3.4
73.02905	2.7
79.05495	11.6
81.03409	9.4
81.07055	60.2
83.04977	4.8
83.08610	12.4
85.02891	7.4
85.06535	10.0
87.04446	2.3
91.05433	10.5
93.07046	18.2
95.04975	11.1
95.08606	34.9
97.02884	4.1
97.06518	8.6
97.10167	16.1
98.97516	2.9
99.04436	3.5
105.07035	13.5
107.04941	2.6
107.08597	25.5
109.06548	5.1
109.10180	18.9
111.08064	8.2
111.11711	8.1
116.98633	2.2
117.07038	4.8
119.08589	12.3
121.06495	4.4
121.10152	20.2
123.08096	3.1
123.11703	54.9
125.09607	5.7
127.03899	2.9
128.06277	3.9
128.71400	2.2
129.06998	7.1
131.08559	11.7
133.06532	3.4
133.10147	10.0
135.08086	2.6
135.11707	7.6
137.05962	3.8
137.09573	2.4
137.13240	7.9
139.11153	11.8
142.34892	2.0
143.08536	5.3
145.06465	4.6
145.10071	6.8
147.08092	2.4
147.11644	7.0
149.09627	4.3
149.13251	17.7
151.07530	2.8
151.11182	4.3
153.12766	4.4
155.08501	3.5
157.10129	6.1
157.12270	12.2
159.08092	6.7
159.11678	5.4
161.09630	3.4
161.13300	3.0
163.11246	3.2
163.14725	3.3
169.10118	4.2
171.08035	3.4
171.11705	6.5
175.14836	3.2
179.10741	3.2
181.12215	3.0
183.11734	3.6
185.09720	2.2
185.13283	4.4
189.09203	3.9
189.11092	3.4
190.19067	2.4
193.12212	4.2
194.12506	2.4
195.11737	2.6
203.12735	3.9
211.11215	3.7
215.10912	2.3
249.18369	2.8
253.11183	2.9
269.12360	9.5
270.12616	11.7
271.12183	4.8
287.23788	3.3
293.24707	5.9
295.20535	2.4
297.11386	3.1
305.24744	19.1
323.16687	3.7
323.20126	8.9
323.25842	9.2
341.14331	4.2
341.21127	100.0
341.24762	4.0
342.14331	3.8
342.21506	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	341.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	16.0
55.05511	96.0
57.03428	4.8
57.07075	5.7
59.04991	5.8
67.05502	62.2
69.03423	18.7
69.07071	27.1
71.04975	14.0
71.59900	4.4
71.60294	5.5
79.05495	66.6
81.03417	33.5
81.07056	92.2
83.04972	21.7
83.08615	73.8
85.02916	9.4
85.06546	5.6
91.05451	29.2
93.07039	39.6
95.04974	83.9
95.08611	35.0
97.06523	32.4
97.10169	66.0
98.06696	4.5
99.08088	14.1
101.06031	6.3
105.07035	58.1
105.72646	4.6
107.04973	35.1
107.08591	62.0
109.06485	10.0
109.10148	24.0
111.04429	9.6
111.08088	16.9
113.09649	11.8
115.05447	6.5
117.06979	30.3
119.04916	7.5
119.08578	32.0
121.06495	14.1
121.10133	19.2
123.08064	37.0
125.09633	75.9
127.03884	4.9
128.06230	7.8
129.06972	22.3
130.07787	8.3
131.08571	31.4
133.06511	8.9
133.10118	16.2
135.08081	21.8
135.11667	13.1
137.06039	7.5
137.09637	11.2
139.11180	11.7
142.07784	8.8
143.08580	22.9
144.09348	12.5
145.06453	8.1
145.10141	79.4
147.08038	13.9
147.11636	8.1
149.05965	11.1
149.09586	8.0
149.13287	6.6
153.09111	14.8
153.12714	12.7
155.08559	9.6
155.10641	18.3
157.06288	5.2
157.10126	30.2
158.07364	6.8
159.08066	11.4
159.11694	28.9
161.09583	7.2
163.11183	38.5
165.09081	15.0
169.10115	23.5
171.11687	13.5
172.08827	8.4
173.09598	21.8
173.13242	6.0
175.11200	9.3
177.12773	6.1
179.14308	5.0
181.10086	8.1
181.12146	11.2
183.11623	5.1
185.13205	5.1
187.11179	18.0
189.09662	5.9
189.11145	25.1
191.10678	5.2
193.04797	4.8
193.12262	16.4
195.11710	5.9
197.11615	5.4
197.13231	5.1
199.11180	13.1
203.12753	40.8
207.11841	4.7
211.15016	5.3
215.10771	4.8
227.12773	6.4
229.88860	4.5
233.15404	5.6
237.16556	9.4
237.22588	4.5
239.14272	12.5
255.17416	7.7
267.12119	23.7
269.12454	10.4
270.12549	7.0
273.18488	23.9
283.16824	7.6
291.19534	96.1
292.19727	6.8
292.54391	4.8
305.21014	15.7
309.20468	11.1
323.22336	40.4
341.21130	100.0
341.24954	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	341.2322
Annotation	Plakorstatin 1
Peak:m/z	Relative Intensity
53.03920	4.9
55.01867	10.7
55.05263	5.7
55.05511	64.3
56.96546	11.2
57.03422	9.4
57.33612	4.5
59.05009	6.5
66.04678	4.6
67.05518	33.2
69.03435	5.9
69.07063	27.0
71.04982	12.4
71.59675	9.2
79.05501	31.4
79.96281	5.3
81.03405	13.7
81.07067	56.2
83.04975	23.1
83.08621	39.1
85.02912	7.7
85.06554	5.5
86.49781	4.7
91.05463	18.8
93.07056	33.8
95.04966	20.2
95.08594	18.6
97.06535	12.1
97.10175	72.7
99.04461	5.6
99.08135	5.3
105.07030	30.1
107.04955	6.7
107.08598	37.5
109.06496	9.5
109.10128	17.0
111.04411	14.6
111.08111	12.4
117.07008	7.4
117.35806	4.9
119.08591	25.3
121.06493	16.4
121.10120	15.2
123.08077	85.2
125.09631	56.3
131.08553	10.5
133.10106	19.3
135.08078	7.4
135.11694	11.1
137.05952	8.1
137.09613	21.6
139.11174	6.7
143.08537	9.6
143.10640	6.3
145.10083	17.1
147.08018	9.4
151.11156	6.9
153.09103	10.5
155.10536	5.9
157.10042	6.8
159.11681	12.0
161.09593	7.5
163.11206	11.4
165.09061	7.6
169.07245	4.6
171.10262	5.5
173.09700	5.3
179.03360	6.4
189.11214	83.5
194.66693	5.3
223.13243	5.9
227.12892	7.4
273.18555	20.6
285.10303	5.7
291.19516	70.8
292.07999	5.2
309.20740	25.5
341.21219	20.6
341.28506	100.0
355.22095	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1384
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
50.93349	1.1
55.01862	1.4
55.32949	1.1
61.15310	1.0
65.03945	0.9
71.04963	1.2
71.58232	2.1
79.05479	2.4
81.07059	2.6
85.02898	1.9
91.05454	2.6
94.04190	2.3
95.04987	2.6
97.02894	1.2
97.06506	1.1
103.05496	1.7
107.04958	2.2
109.06507	3.0
111.04436	1.8
115.05502	1.5
117.30035	1.0
120.08096	1.0
121.06546	1.2
122.03640	9.5
128.06244	2.5
129.07008	8.9
131.04922	3.6
131.08505	1.2
133.02843	1.1
133.06371	1.4
137.05974	100.0
138.06310	1.8
143.04869	1.0
143.08583	1.3
144.05742	4.0
147.04352	1.2
149.05992	1.9
151.03914	2.1
151.07549	4.5
153.05464	1.6
157.06480	7.6
158.07278	1.5
161.06007	2.4
161.09630	1.5
163.07599	2.4
165.05484	2.6
165.06792	1.2
171.08051	1.3
172.05193	8.9
174.06766	13.0
175.07524	8.7
177.05533	1.5
177.66910	1.1
179.07103	1.7
185.06047	1.2
187.07535	42.1
188.08286	2.1
189.07376	2.0
189.09071	14.3
190.07748	1.5
191.08533	4.3
196.05051	1.5
199.07530	5.0
202.07841	4.0
203.08556	12.8
205.06454	3.0
207.07718	2.5
208.08807	1.8
211.07423	5.2
217.08592	23.2
218.07121	1.2
219.08037	11.7
220.08855	5.0
221.05948	1.8
225.09222	1.4
227.07031	9.8
230.07216	1.3
231.08018	15.3
232.08820	1.8
233.05965	1.4
233.09550	1.5
235.07555	2.6
236.08319	4.4
237.09262	2.2
239.07109	3.0
240.07765	3.5
241.08591	1.9
247.07545	10.2
248.08316	18.5
249.05367	1.4
249.09163	1.8
251.10582	6.6
253.08595	2.4
255.06523	7.3
256.07452	1.3
259.07590	4.9
260.08493	2.7
261.09097	2.9
262.09991	1.4
263.07700	1.6
263.10645	18.6
263.13239	1.7
264.07806	2.2
265.08594	6.2
268.24246	1.1
270.08832	14.6
271.09641	8.4
276.07785	7.6
277.08688	5.3
279.10181	14.7
280.10754	1.8
281.08279	2.8
283.09598	3.3
291.10147	34.5
292.11035	3.1
293.07993	5.6
296.10397	9.1
297.11157	2.6
305.07935	1.2
305.11432	2.1
307.09586	1.4
308.10400	3.8
309.11194	2.5
311.12747	18.3
323.12756	45.3
341.13812	25.5
342.14200	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	341.1385
Annotation	Hydranthomycin
Peak:m/z	Relative Intensity
55.01881	1.5
55.05504	5.8
57.07063	2.0
67.05518	9.6
68.57976	1.2
69.03425	2.8
69.07078	8.3
69.72178	5.6
69.72594	3.7
70.06575	1.5
71.04980	6.4
79.05506	3.3
81.07057	23.4
83.04975	3.7
83.08622	2.7
85.06537	2.8
86.09718	2.2
91.05469	5.1
93.07044	11.9
93.37789	1.5
94.04205	1.8
95.04964	5.0
95.08592	13.0
95.09091	1.3
97.02848	1.7
97.06554	2.3
99.04455	1.6
99.08092	4.1
105.07033	6.3
107.08596	6.1
107.17727	1.3
109.06502	3.4
109.10169	16.2
111.04474	2.1
111.08091	3.7
111.11665	1.8
119.08580	5.3
121.06484	1.4
121.10116	10.7
122.03629	6.5
123.08054	1.5
123.11730	9.6
123.61863	1.5
125.09631	1.6
127.04008	1.2
128.06305	1.3
129.07024	5.2
130.06519	1.5
131.04932	3.1
131.08617	2.7
133.02855	4.6
133.10141	3.4
135.11699	2.7
137.05978	100.0
139.11197	1.5
144.05730	2.8
145.06468	3.4
145.10199	2.3
146.07271	1.5
147.04382	1.6
147.07996	1.7
147.11650	3.8
149.05989	3.4
149.09595	1.5
149.13220	2.9
151.03899	2.5
151.07564	3.9
151.11256	2.0
153.05402	1.5
157.06537	4.6
159.11787	1.7
160.05240	3.2
161.06006	2.9
161.09610	1.8
161.13258	2.1
163.07539	3.4
163.14839	2.0
165.05487	4.4
167.07068	2.0
171.08083	1.8
172.05226	4.5
173.13271	2.4
174.06783	6.8
175.07562	15.2
177.05482	5.9
177.09132	3.0
179.07071	5.0
187.05896	2.0
187.07550	37.3
187.09143	2.5
188.08220	1.6
189.09117	10.2
191.08525	3.1
196.05251	3.8
197.05861	1.6
199.07597	4.3
203.08521	11.7
211.07542	18.4
212.04744	2.9
213.05469	1.6
217.08618	14.7
219.08060	9.3
220.08867	5.0
221.09560	1.4
227.07013	19.7
228.07660	1.9
231.08115	14.1
232.08792	2.5
233.06000	2.4
235.07480	1.8
237.09224	2.8
239.07065	13.0
240.07831	9.9
241.08604	1.9
247.07590	7.7
248.08307	18.1
249.09192	4.1
251.10699	5.5
253.08562	3.2
255.06528	16.3
256.07230	6.8
259.07605	5.4
260.08273	3.7
261.09125	3.6
261.11783	1.4
263.10709	18.3
264.07816	2.0
265.08630	5.3
266.08810	1.5
268.07306	3.9
269.08063	2.0
270.08865	39.1
271.09641	38.4
276.07800	9.8
277.08566	5.9
279.10120	9.3
280.07443	1.7
280.10855	2.2
281.11731	2.4
283.09662	10.2
291.10159	50.5
292.10706	7.7
293.08255	4.2
296.10452	4.3
297.11401	3.1
305.11752	2.3
305.24579	7.2
308.10452	5.1
309.11017	3.3
311.12814	13.0
313.14468	2.4
323.12759	41.4
323.25784	4.0
324.13000	1.6
341.13937	29.6
342.13873	1.7
354.32092	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	341.0868
Annotation	AESCULIN
Peak:m/z	Relative Intensity
50.48957	0.3
52.42517	0.3
62.37368	0.3
69.03430	0.4
71.58832	0.5
84.08139	0.4
85.02894	0.9
91.02576	0.3
97.02927	0.6
99.30878	0.3
105.03414	0.5
109.02853	0.3
123.04433	9.3
133.02853	9.4
135.04398	1.5
137.05940	0.6
151.03925	4.1
177.62003	0.3
179.03400	100.0
180.03732	1.1
181.12589	0.3
212.72989	0.3
341.08395	0.5
341.12280	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	341.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.1
51.50794	0.1
52.04605	0.1
53.03946	0.1
55.01861	0.2
56.96545	0.2
57.03440	0.2
57.07064	0.1
58.68762	0.1
58.88589	0.1
61.02916	0.2
67.05502	0.2
67.32220	0.1
69.03432	0.6
69.07066	0.2
70.06596	0.2
71.04980	0.3
71.57786	0.1
71.58243	0.1
73.02921	0.1
73.42298	0.1
77.03922	0.2
79.05505	0.2
81.03408	0.4
81.07048	0.3
83.04985	0.1
84.08137	0.2
85.02908	1.3
85.06509	0.1
86.09718	0.2
89.03904	0.4
93.07076	0.1
95.04976	0.3
95.08605	0.1
97.02860	0.6
97.06520	0.1
98.97591	0.1
103.07553	0.3
105.03392	0.5
105.07030	0.2
107.04960	0.1
109.02891	0.4
110.06102	0.2
111.05576	0.1
116.98584	0.2
117.03368	0.3
117.97023	0.1
123.04425	9.1
126.09124	0.1
127.03908	0.4
133.02852	8.2
134.78571	0.1
134.99657	0.1
135.04416	1.8
136.07567	0.1
137.05972	1.0
151.02728	0.2
151.03914	3.0
179.03391	100.0
180.03743	1.1
187.07484	0.2
189.12764	0.1
195.11203	0.4
199.07611	0.1
217.08727	0.2
219.08195	0.2
225.11179	0.1
231.08157	0.2
245.15486	0.1
247.07294	0.1
253.13428	0.3
271.09583	0.2
291.10117	0.3
294.87860	0.1
299.13885	0.1
311.12970	0.2
323.12689	0.3
341.08505	0.4
341.12598	0.8
359.02850	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	340.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.3
56.96564	0.9
57.03436	1.1
57.98474	0.8
58.31213	1.0
60.04517	1.4
61.02920	1.8
67.05479	1.0
69.03414	2.7
70.06572	1.0
71.04985	0.8
71.08633	17.4
71.56895	1.6
80.19784	0.7
81.03413	1.0
85.02898	6.2
86.09707	1.8
88.11266	100.0
89.07187	0.9
89.11592	2.3
91.05775	1.3
97.02869	2.4
98.97593	1.5
99.04432	1.3
101.10852	0.8
109.02837	1.0
110.07142	0.9
120.08128	1.2
123.04431	5.7
127.03908	1.6
133.02827	4.0
135.04506	1.0
136.06190	2.6
137.05942	1.3
145.05002	1.0
151.03857	2.3
164.04469	1.2
172.44276	0.8
178.04993	7.5
179.03389	64.0
207.08774	1.2
211.05472	0.8
340.10220	2.7
341.14334	1.1
359.02631	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2531
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
55.05511	47.5
55.25170	1.4
57.03444	1.6
57.07082	8.5
59.04986	1.4
67.05214	1.5
67.05511	16.7
69.03428	5.3
69.07071	45.9
69.33775	6.4
69.34207	7.4
71.04980	3.1
71.08610	1.5
77.50862	1.3
79.05489	8.4
80.01450	1.3
81.07060	55.1
82.07393	1.9
83.04993	4.2
83.08610	6.3
85.02934	1.2
85.06548	7.4
91.05477	4.9
93.07050	22.7
95.04964	5.8
95.08609	59.8
97.06536	7.8
97.10171	100.0
98.10473	2.5
99.08097	4.2
101.06014	2.2
102.53085	1.2
105.07027	11.3
107.08601	18.6
109.06526	3.5
109.10150	22.0
111.08051	6.4
111.11716	12.0
113.05993	1.9
113.09589	1.5
113.17197	1.2
114.87242	1.3
117.07032	2.1
119.08575	9.3
121.06506	1.7
121.10144	17.7
123.08076	3.9
123.11709	20.4
125.09624	19.2
131.08559	3.2
133.10138	9.6
135.08105	2.6
135.11722	11.3
137.09608	8.5
137.13286	8.0
139.11186	16.7
141.09131	3.0
143.10675	34.8
145.10139	4.5
147.11723	7.2
149.13301	6.9
151.07573	2.7
151.11183	8.1
151.14842	5.2
153.12747	8.3
155.10699	1.8
157.12231	11.2
159.11705	3.7
161.09633	2.3
161.13281	5.2
163.14870	2.0
165.09122	4.8
165.12762	4.9
167.10721	1.3
171.10184	3.2
175.14902	3.1
177.05489	2.1
177.12721	1.7
179.10707	3.1
179.14342	2.9
187.14767	1.6
189.11209	9.2
196.53540	1.3
201.16533	1.9
203.12814	2.4
205.15869	1.6
257.22443	1.4
275.23749	3.7
277.21683	3.2
281.36044	1.5
293.24890	2.2
303.23154	15.5
304.23602	1.8
311.10611	2.0
321.08585	1.5
321.24240	37.9
322.24481	2.7
339.09296	4.0
339.25351	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2532
Annotation	11,12-DHET
Peak:m/z	Relative Intensity
53.03941	1.8
55.01868	4.9
55.05262	2.9
55.05512	39.4
56.07114	1.5
57.03436	3.1
57.07079	16.2
59.04979	4.2
67.05510	25.1
69.03441	11.1
69.07071	83.2
70.14291	5.1
70.14695	2.4
71.04984	8.6
71.08624	1.8
71.52384	1.3
73.06541	2.4
79.05493	15.6
81.03403	1.7
81.07060	100.0
82.07393	2.1
83.04980	12.5
83.08621	8.4
85.02898	1.8
85.06544	24.4
86.39564	1.5
91.05478	9.1
93.07047	38.9
95.04976	12.6
95.08609	67.9
96.08143	1.6
96.08891	1.8
97.02892	1.5
97.06544	18.3
97.10173	79.6
98.10523	1.4
98.97580	1.7
99.04452	2.0
99.08099	10.8
101.06030	6.6
105.07028	19.5
107.08598	24.9
109.06517	10.8
109.09460	2.2
109.10163	30.1
111.08085	21.6
111.11019	2.2
111.11727	23.7
115.11202	4.4
117.06974	2.5
119.08585	18.0
121.06505	2.6
121.09304	2.7
121.10149	35.7
122.10453	1.6
123.08082	4.6
123.11711	47.2
125.09628	5.8
131.08577	5.5
133.10138	13.6
135.08043	2.8
135.11691	17.9
137.09628	5.7
137.13269	15.4
139.11185	59.9
140.75821	1.4
141.12741	1.7
142.07797	1.7
143.08531	1.9
143.10672	5.6
145.10059	7.0
147.11691	18.9
149.09616	5.5
149.13257	5.5
151.11198	6.4
151.14812	1.5
153.12755	9.5
157.10201	3.1
157.12253	41.7
158.12608	1.9
159.11690	8.7
161.13272	7.4
163.11227	4.3
163.14810	2.8
165.09134	5.3
165.12769	9.4
169.12334	2.9
171.11646	1.7
171.13789	2.3
173.13226	3.5
175.11174	2.3
175.14839	3.0
177.05406	2.2
177.12732	3.5
177.16429	2.1
179.14325	1.8
180.13849	3.5
181.12184	3.1
181.15883	1.7
185.13252	2.3
187.13318	2.3
187.14830	3.5
190.99257	1.7
191.14331	1.9
191.17995	1.9
195.13774	1.8
195.17320	1.6
200.73682	1.4
201.16431	3.7
203.12788	8.9
203.14404	1.9
205.15866	3.4
207.13844	2.3
214.18071	2.2
219.17453	3.1
221.15152	1.6
223.16911	2.4
227.63486	1.4
233.15192	1.7
239.80576	1.6
246.61067	1.5
247.16997	2.9
251.16405	2.9
257.22623	3.8
265.17831	3.0
275.23758	9.7
277.21600	1.8
285.22171	4.7
293.24799	5.7
303.23187	34.8
304.23813	1.9
321.24231	53.3
322.24554	3.8
339.05093	1.6
339.08643	7.3
339.12439	3.4
339.25302	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	6.1
55.01873	28.2
55.05507	25.1
57.03434	26.8
57.07071	16.2
61.18679	2.0
65.03945	2.3
67.05503	61.8
69.03432	4.8
69.07064	21.7
69.96410	4.0
69.96821	8.6
70.06582	5.2
71.05003	3.1
71.08634	6.7
79.05061	4.1
79.05493	57.8
80.06290	3.0
81.03412	10.7
81.07055	64.3
82.07339	2.9
83.04973	31.0
83.08619	8.8
85.06564	4.2
88.07640	6.8
91.05477	54.0
93.07046	43.8
95.04961	64.9
95.08605	37.0
95.62846	2.4
96.05743	2.6
97.02878	7.1
97.06510	9.5
97.10175	4.9
98.07321	5.3
98.20891	3.6
102.09187	3.0
103.05461	4.2
105.07029	47.6
107.04956	74.6
107.08598	19.6
108.05742	6.0
109.06510	48.5
109.10163	14.5
111.04418	10.9
111.08080	7.9
112.05209	9.5
113.05992	6.9
115.05399	2.9
117.07008	27.8
119.04957	4.0
119.08578	27.3
121.06496	17.8
121.10148	11.4
122.07286	19.8
123.04442	9.3
123.08065	10.2
123.11725	5.0
125.05964	4.0
125.09628	2.5
128.06213	3.5
129.07007	10.4
131.04900	2.9
131.08569	30.3
133.06482	18.0
133.10114	14.4
134.92081	2.3
135.08055	23.7
135.11693	8.2
137.06020	2.7
137.09639	9.4
141.06947	4.2
143.08565	12.9
145.06509	17.2
145.10100	23.1
147.08026	27.3
147.11691	6.4
149.02345	15.8
149.09618	8.9
151.07539	4.7
155.08583	6.4
156.15657	2.3
157.10104	6.7
159.08057	4.6
159.11697	12.2
160.34630	2.1
161.09604	13.1
161.13321	5.2
163.11176	10.2
165.09100	8.4
169.10156	5.6
171.11699	10.0
173.09665	3.4
173.13277	12.9
175.11179	3.4
177.05511	2.8
177.12761	4.2
187.11052	4.8
187.14821	13.1
189.12813	5.0
193.04955	36.2
197.13234	6.3
205.15865	12.8
210.80739	2.2
215.14391	12.2
216.15222	2.5
224.65657	14.7
225.15797	2.8
233.15355	64.5
256.26337	9.5
265.17963	43.2
273.18463	18.2
274.97562	3.0
280.11856	2.8
290.18829	11.6
292.98743	2.5
304.20148	5.5
305.21054	14.4
339.27667	100.0
339.77762	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.6
55.05512	6.2
56.96556	2.3
57.03434	1.8
57.07079	2.6
59.01830	1.1
59.05003	1.1
60.29076	0.8
61.02924	1.9
62.93994	0.9
67.05505	25.8
67.39722	1.0
69.03450	5.2
69.07058	3.3
70.06591	2.6
71.04996	77.8
71.08634	1.2
71.17081	2.3
71.64876	1.0
72.08144	1.6
73.06545	1.0
76.86539	0.9
77.75225	0.9
79.05501	4.1
81.03429	1.7
81.07059	55.6
83.06099	1.9
83.08617	2.8
84.04501	1.2
84.08138	2.0
85.02908	12.5
85.06547	22.2
86.09711	2.4
91.05491	2.0
93.07045	1.5
94.06574	1.8
95.04969	1.5
95.08611	8.3
96.08932	1.7
97.02892	4.9
97.06524	1.2
97.10207	1.0
98.97563	2.2
99.04434	1.1
99.08101	2.1
103.61616	1.1
105.07062	1.6
110.06052	7.5
110.07205	1.1
111.04446	1.0
115.07587	1.6
116.07121	2.1
116.98614	2.7
119.08640	1.1
120.08112	2.1
121.73097	1.0
122.06019	10.5
123.08014	1.5
123.11694	14.5
124.07599	2.9
125.05988	1.1
127.03929	2.8
129.31612	0.9
133.06505	1.3
134.99677	1.5
136.06204	1.3
136.06544	1.3
136.07573	9.2
138.05516	3.9
138.09126	7.6
140.07036	5.8
141.12746	100.0
142.09474	2.1
142.13039	2.1
143.07037	1.7
145.04990	1.6
147.04408	2.2
149.06059	1.5
150.05495	4.0
152.07106	3.7
153.05519	1.0
154.08638	2.7
159.10194	1.3
159.13817	44.9
160.10541	1.4
162.05544	2.3
162.78496	0.9
163.03957	1.4
164.07060	12.1
166.05019	5.1
166.08636	3.2
168.06546	1.3
170.08058	1.2
172.09695	2.5
177.00650	1.2
177.05508	2.9
177.14867	42.2
179.03423	2.1
182.08116	9.8
184.06107	2.4
188.07159	1.1
196.14497	2.5
203.03360	1.3
215.08214	3.3
237.02856	2.0
243.07645	3.7
245.09285	1.3
257.12985	1.6
258.11224	1.2
261.08707	2.5
289.08249	4.6
303.13406	4.1
307.09363	1.5
321.11011	2.4
321.14542	5.7
339.11517	6.4
339.15292	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	338.3415
Annotation	13Z-Docosenamide
Peak:m/z	Relative Intensity
55.05268	3.0
55.05510	40.4
57.07074	49.2
58.06589	1.9
67.05494	14.6
69.07066	64.1
70.71864	6.2
71.08629	23.8
72.04498	3.1
72.08157	4.5
79.05482	7.1
81.07058	30.4
83.04951	2.2
83.08142	3.7
83.08614	54.4
85.10172	9.8
86.06062	8.6
86.09719	1.9
93.07053	15.8
95.08601	29.9
95.42789	1.9
97.06543	12.1
97.10164	39.7
100.07609	13.1
103.31903	1.8
107.08592	12.9
109.10149	16.4
111.08084	9.0
111.11726	17.8
114.09158	8.6
121.10125	14.8
123.11693	8.3
125.09622	5.5
125.13315	4.1
128.10719	5.6
135.11694	15.3
137.13251	4.7
139.11183	3.6
139.14833	3.2
142.12250	2.4
149.13318	12.2
150.00108	1.8
151.14832	3.7
156.13844	2.8
163.14799	5.0
177.16382	3.5
181.15820	2.2
184.17014	4.0
191.18071	2.1
195.17444	2.3
198.18454	3.1
202.26195	2.1
212.20177	2.0
219.21013	2.2
226.21632	2.9
240.23126	2.9
247.24344	2.4
254.24733	2.4
270.90613	1.9
282.28009	2.5
303.30505	22.1
321.31461	30.0
338.34158	100.0
339.34631	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	339.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88759	1.0
53.03951	1.7
55.01876	1.5
55.05507	2.0
56.96575	1.3
57.07085	1.2
59.04988	1.2
61.02898	1.2
61.66822	0.9
65.03937	1.1
65.12351	0.9
65.91606	0.9
66.89777	0.9
67.05505	9.5
69.03432	3.7
69.07076	2.3
70.06593	1.6
70.07393	0.9
71.05002	12.5
71.29678	2.3
72.08151	1.7
79.05476	5.0
81.03422	2.7
81.07064	21.5
83.08612	1.4
84.04550	0.9
84.08148	1.7
85.02914	8.0
85.06538	9.2
86.09729	1.7
87.04491	1.1
91.05484	3.5
93.07053	2.1
94.06601	2.9
95.04964	2.3
95.08620	7.0
96.04498	1.1
96.08152	2.3
96.08958	3.6
97.02909	2.7
97.06555	2.7
97.10181	1.2
98.97601	3.5
102.96857	0.9
105.07066	1.1
106.06565	1.4
107.05000	1.2
108.08138	1.8
109.02930	1.2
109.06538	2.1
110.06069	8.3
115.07542	1.1
116.98603	2.1
120.08121	2.4
122.06039	25.3
122.06894	1.5
123.04469	1.1
123.06781	3.0
123.08089	2.2
123.11733	4.2
124.07610	17.9
124.08427	1.7
126.05586	1.6
128.98746	1.0
134.06049	3.2
134.99692	1.2
135.11737	1.1
136.07584	86.2
138.05524	4.2
138.09148	3.4
140.07065	6.2
141.09111	2.2
141.12749	19.3
142.09415	1.4
143.08449	0.9
145.02829	1.0
145.04958	1.1
150.05505	10.2
152.07077	100.0
154.08594	2.4
158.08167	3.5
158.99640	1.6
159.10181	2.3
159.13811	10.2
160.10538	2.8
163.03938	1.1
164.07082	90.1
165.07457	1.2
166.04967	2.1
166.08675	3.6
168.06607	6.0
169.37233	1.3
170.08145	20.9
172.07625	1.0
172.11194	1.2
177.00708	1.9
177.05476	1.4
177.14896	7.0
178.04967	2.3
180.06511	2.3
182.08145	38.0
183.08492	1.0
190.08713	1.6
203.03470	2.2
219.01778	1.5
221.07663	0.9
248.51204	1.0
260.12894	1.8
279.09750	1.7
285.12378	1.9
297.08569	1.1
303.13388	21.7
305.26834	1.0
321.11002	1.6
321.14474	12.4
339.11786	6.0
339.15613	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	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75356	0.7
55.05503	1.1
57.03431	2.3
57.07073	0.8
57.10415	0.6
67.05508	7.3
69.03407	1.0
69.07068	20.8
70.85754	1.5
73.06557	2.9
79.05489	2.3
81.07060	19.8
85.02906	23.9
93.07014	1.3
95.08607	100.0
96.08950	2.0
97.02873	1.9
97.06524	6.0
99.04460	5.7
99.08080	3.4
103.03940	1.8
105.07026	0.9
113.09644	12.0
115.07574	29.5
122.06026	0.7
123.08067	46.7
124.08430	1.3
136.07571	0.7
137.48390	0.7
141.09103	91.4
142.09471	2.0
159.10170	81.9
160.10518	2.0
214.54199	0.7
255.84036	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
55.05513	1.5
55.35170	0.7
57.03428	2.8
58.17004	0.7
60.81753	0.7
67.05510	6.0
69.06723	1.5
69.07069	21.2
71.04986	1.1
71.22636	1.6
71.22964	0.7
73.06533	1.7
79.05492	1.7
81.03428	1.0
81.07061	20.3
85.02423	1.5
85.02908	22.1
87.04472	1.0
93.07053	1.3
95.08608	100.0
96.08938	1.9
96.19695	0.6
97.02877	2.0
97.06530	6.0
99.04462	4.4
99.08115	3.6
103.03937	1.7
113.09646	12.9
115.07573	27.1
122.06033	1.0
123.08073	42.9
124.08457	1.2
136.07617	1.4
138.05469	0.9
141.09100	90.8
142.09468	2.1
159.10170	75.6
160.10535	2.5
164.07088	1.7
176.12845	0.9
182.08208	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	338.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.2
55.05507	2.2
56.96549	1.6
57.03413	1.7
61.02903	1.3
67.05499	7.0
69.03421	4.3
69.07065	12.7
69.98946	4.4
70.06582	1.6
71.04973	4.3
72.08143	2.8
73.06530	1.9
73.08485	0.9
74.06079	1.5
79.05474	2.2
81.03413	2.0
81.07049	17.4
83.04971	1.0
84.08132	1.1
85.02903	16.5
86.03239	1.0
86.09725	1.5
91.05531	0.9
93.07031	2.1
94.06577	1.1
95.08602	100.0
96.08916	1.4
97.02879	4.2
97.06517	8.5
98.97568	1.6
99.04440	2.4
99.08083	3.1
103.03951	1.9
105.07030	2.0
110.06005	0.9
113.09624	6.1
115.07562	16.1
116.98616	2.8
120.08105	1.8
123.08056	33.2
123.08956	2.0
127.03904	1.7
134.99626	2.1
136.07513	1.6
140.07013	1.1
141.09093	51.8
141.12743	3.5
145.04930	1.3
145.08582	1.1
145.09677	2.1
152.06984	1.1
158.99605	1.0
159.10161	66.1
159.13814	2.7
162.05495	2.4
164.07047	1.6
173.09299	1.1
176.07069	1.7
176.12872	1.3
177.00603	1.1
177.14830	1.6
201.00723	0.9
237.02739	2.2
241.05128	0.9
320.13196	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	337.9704
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96572	13.8
70.79848	4.7
85.02886	1.8
97.02888	4.1
98.97582	44.2
111.85818	1.9
116.98626	42.8
119.01910	4.1
121.01678	2.4
134.99651	32.4
142.03510	1.5
151.91103	1.5
153.00728	6.9
158.01315	1.6
174.97636	3.8
192.98717	7.4
198.97672	2.9
209.32640	1.6
212.88484	1.9
212.92317	7.9
216.98705	41.9
218.91272	3.5
230.89404	1.6
230.93329	15.3
234.99754	100.0
235.99860	3.5
236.92258	2.3
248.90645	2.1
248.94441	10.2
250.97545	1.6
253.00800	4.5
254.93324	16.8
256.96518	2.2
258.01419	4.4
258.96902	2.1
258.99741	3.6
261.02988	2.6
270.91193	2.2
272.91455	2.5
272.94382	77.7
273.94455	3.6
274.97510	5.4
277.00812	6.3
278.93253	3.3
283.96420	1.9
284.96521	2.9
288.92221	8.2
288.95496	1.7
290.91849	15.5
290.95407	52.8
291.98444	2.4
292.98669	3.9
293.18546	1.5
293.47302	3.9
293.97076	4.4
295.95966	6.7
296.94257	9.7
300.89984	1.5
305.25992	1.8
306.93216	4.3
308.92822	9.1
310.92459	4.8
311.25677	3.2
311.59689	2.2
311.95963	2.4
312.45929	2.5
313.93857	2.0
313.97296	3.9
314.95425	91.5
315.95551	3.5
332.91180	2.9
332.96402	9.3
337.97009	5.0
341.91357	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	337.2737
Annotation	Subamolide C
Peak:m/z	Relative Intensity
52.05455	0.4
53.03938	1.4
55.01870	0.9
55.05515	23.6
57.03442	15.1
57.06874	0.4
57.07081	4.7
62.22445	0.4
65.03935	1.1
67.05507	52.3
68.05835	0.7
69.07072	29.2
69.86633	2.7
71.04980	1.5
71.08630	2.4
77.62059	0.4
77.87665	0.4
79.05496	13.0
81.07062	51.0
82.07381	0.8
83.04975	1.4
83.08620	15.1
84.00067	0.4
84.08958	0.5
85.06535	1.2
85.10181	0.8
86.44365	0.4
86.47507	0.4
91.05486	9.0
92.51761	0.4
93.07052	14.5
95.04971	1.6
95.08612	39.7
96.08951	1.4
97.06532	2.9
97.10172	7.9
99.08085	1.2
105.07037	5.6
107.08607	6.0
109.06551	0.9
109.10160	15.5
110.10526	0.4
111.08070	2.2
111.11756	2.1
119.08598	5.2
121.10158	7.1
121.99755	0.4
122.10510	0.5
123.08102	0.5
123.11707	6.3
125.09651	1.3
131.08565	0.6
133.10127	5.3
135.11714	4.0
137.09660	1.1
137.13257	2.4
139.11183	0.8
147.11716	4.0
149.13248	2.5
149.78860	0.4
151.14879	1.4
161.13303	3.5
163.14838	1.8
165.12799	0.5
165.16443	0.5
175.14806	2.1
177.16437	0.6
179.14397	0.6
185.13289	0.6
189.16386	1.1
193.12238	0.8
245.22629	2.4
263.23743	4.6
319.15121	0.5
319.26230	0.7
337.27380	100.0
338.27689	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	337.2736
Annotation	Subamolide C
Peak:m/z	Relative Intensity
53.03951	1.3
55.05266	1.6
55.05515	24.2
57.03442	14.5
57.03882	0.9
57.07064	3.4
65.03957	2.1
67.05508	53.2
68.05841	0.9
69.07069	28.6
70.00760	4.9
71.04998	2.2
71.08622	2.5
77.41336	0.9
79.05495	13.2
81.07059	52.5
82.07401	1.4
83.04971	2.7
83.08624	14.4
85.02914	1.0
85.06521	2.4
91.05479	10.0
93.07047	12.2
95.04969	3.1
95.08611	34.3
96.08945	1.1
96.68315	1.0
97.06563	4.1
97.10172	7.2
99.08084	1.6
105.07027	7.5
107.08604	8.8
109.06531	1.1
109.10155	15.1
110.10500	0.9
111.08088	2.8
111.11714	1.1
113.06044	1.0
119.08578	5.8
121.10133	6.7
123.11733	6.3
125.09640	1.5
131.08629	1.6
133.10132	6.7
135.11707	4.1
137.13243	3.1
145.10118	1.4
147.11703	3.5
149.13235	2.7
153.12836	1.2
161.13312	1.8
163.11133	1.1
163.14859	2.3
175.14838	1.9
182.16280	1.0
223.20032	0.9
263.23566	1.5
291.19522	2.8
337.17712	16.4
337.27390	100.0
338.18185	0.9
338.27802	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2374
Annotation	15H-11,12-EETA
Peak:m/z	Relative Intensity
53.03945	3.4
55.01880	2.8
55.05513	50.9
56.96561	2.7
57.03431	3.3
57.07080	8.8
59.05001	6.0
67.05170	2.1
67.05508	28.8
69.03432	13.2
69.07070	100.0
69.36839	6.3
69.37261	8.2
71.04996	13.6
79.05498	19.1
81.03418	3.0
81.06577	2.9
81.07060	60.3
83.04987	45.8
83.08622	6.8
85.02920	2.9
85.06548	7.2
91.05476	15.3
92.19048	1.3
93.07048	53.9
94.83442	1.3
95.04977	17.8
95.08611	56.2
96.04533	1.6
97.02912	3.3
97.06537	19.1
97.09546	3.8
97.10172	77.2
98.97588	2.7
99.04497	1.9
99.08109	5.2
101.06008	2.2
105.07034	28.0
107.04930	1.9
107.08601	47.9
109.06532	15.2
109.10158	35.8
111.04424	2.4
111.08076	14.8
111.11731	23.8
112.37910	1.3
113.06020	2.3
113.09593	1.8
115.05457	2.0
115.11210	4.8
116.98627	2.5
117.07001	3.7
119.08590	21.6
121.06523	8.6
121.09306	3.2
121.10147	43.5
123.08067	9.8
123.11701	16.8
125.05970	1.9
125.09605	8.1
127.07621	2.3
127.11214	4.9
129.07056	2.3
130.07820	1.7
131.08554	6.8
133.10156	21.9
135.08043	10.5
135.11705	28.9
137.05998	2.8
137.09627	15.9
137.13271	3.8
139.07544	3.2
139.11191	61.4
143.08559	4.6
143.10724	2.5
145.10144	16.1
147.08054	4.8
147.11690	12.0
149.09613	6.8
149.13260	5.4
151.11169	12.5
153.09103	2.3
153.12729	9.2
155.08527	1.6
155.10667	5.3
157.10161	5.9
157.12238	33.3
159.08063	1.9
159.11697	13.9
161.09645	8.6
161.13289	6.2
163.11192	12.0
163.14815	3.0
165.09152	6.9
165.12796	2.9
167.10701	5.7
169.10217	2.6
169.12163	2.5
171.11674	4.0
173.09628	2.1
173.13254	5.8
175.11209	6.6
175.14828	4.7
177.12727	4.0
179.10709	9.5
181.12300	5.6
185.13246	3.7
187.11302	1.7
187.14862	3.4
189.12790	2.2
189.16360	3.0
191.10701	1.7
191.14291	2.2
193.12160	3.4
193.15961	1.7
201.12891	1.5
201.16547	2.4
203.12753	2.8
203.14372	3.7
205.12335	2.0
205.15938	1.6
209.15327	1.9
215.10715	1.5
217.15924	2.0
219.17397	3.0
220.10344	1.8
221.15366	2.4
223.61072	1.6
233.15356	2.6
255.21097	3.6
273.22202	10.2
283.20569	5.5
291.23126	13.0
293.11801	3.4
293.21057	3.7
301.21603	24.2
301.25015	2.5
319.22662	34.9
320.23074	2.5
337.10751	2.5
337.14481	6.6
337.23712	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37727	1.3
55.05494	5.7
60.01972	1.4
65.03931	3.9
67.05496	4.3
69.03424	5.7
69.07053	4.0
70.06590	4.2
71.04994	3.1
71.10865	3.1
71.11195	1.6
72.08149	2.2
79.05479	5.4
81.03417	1.6
81.07064	16.0
83.04967	3.4
83.08602	2.4
85.02898	4.8
86.09718	2.6
91.05459	5.4
92.05005	3.4
93.07048	7.0
94.06547	5.0
95.04954	6.9
95.08595	6.0
97.02879	2.3
97.05315	1.4
97.06522	1.9
98.97563	1.5
100.61087	1.3
102.06777	1.3
105.07014	5.4
107.04937	1.8
107.08587	5.8
108.08140	1.6
109.06505	9.8
109.10109	7.7
111.04254	1.4
111.08073	1.5
119.08581	5.5
120.04450	3.0
121.10130	4.1
122.06031	1.8
123.08055	2.0
123.11720	5.3
124.07578	3.9
124.82372	1.2
125.06025	1.4
125.09655	1.8
126.09158	77.7
127.09480	1.7
131.08549	2.5
133.10101	3.5
135.08069	4.3
135.11719	2.0
137.05954	2.0
138.05518	12.2
139.11197	1.7
145.10130	3.0
147.11668	3.3
148.03917	10.5
149.09631	2.8
150.05537	10.2
153.09053	1.6
155.10641	2.0
157.10126	2.1
159.08046	1.6
159.11821	1.6
161.09644	1.4
162.05219	1.7
163.11140	1.5
166.05008	100.0
167.05400	2.2
176.03389	2.7
179.83981	1.5
194.04491	58.3
195.04633	1.4
199.08504	2.3
212.05533	28.8
212.09265	1.9
213.10158	1.7
214.14426	3.2
225.10269	1.9
226.11003	2.5
227.11975	2.9
255.11246	4.4
270.09973	7.7
271.10699	3.1
272.11618	12.2
273.12326	12.3
283.10776	3.1
301.11838	58.9
302.12198	2.2
319.12900	18.6
319.18948	1.6
319.22623	3.1
337.23871	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	336.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00731	0.6
55.01873	1.9
55.05501	2.4
56.96561	1.6
57.03426	1.4
61.02917	1.7
63.25643	0.6
67.05493	1.2
69.03428	8.6
69.07065	2.6
70.06244	0.9
70.06595	9.1
70.07416	0.8
70.99584	0.6
71.05004	1.6
71.59200	1.0
72.08153	1.4
73.02908	0.7
81.03416	5.2
81.07058	0.9
82.14497	0.6
83.04990	0.8
83.08611	0.8
84.04495	0.9
84.08151	1.3
85.02904	22.8
85.06531	1.1
85.24303	0.6
85.79339	0.6
86.03236	1.1
86.09717	1.1
87.00827	4.3
87.04462	0.9
88.07632	100.0
89.07944	1.4
93.07029	1.1
95.04971	1.0
95.08603	1.0
96.04514	2.3
97.02888	6.1
97.06536	1.0
98.00642	0.8
98.97591	2.1
99.04436	3.0
99.50607	0.6
101.44549	0.8
105.01862	5.2
105.07028	0.9
109.02874	4.5
110.06084	1.1
111.08095	1.8
116.01662	1.7
116.07104	0.9
116.98620	2.1
120.08106	1.2
122.06049	1.0
124.07555	0.7
126.05527	1.0
127.03915	9.7
128.04341	0.8
128.10727	1.1
129.09077	0.8
133.10147	0.7
134.99617	0.7
136.07576	1.4
138.03731	2.8
138.05463	1.2
139.07523	1.3
145.04968	4.0
146.06090	0.8
147.02898	0.8
147.04404	1.0
152.07100	1.1
156.04796	2.9
156.08116	1.0
156.10187	1.5
157.08614	4.3
159.02946	2.3
164.07169	0.7
166.05014	0.8
174.05862	5.8
174.09097	0.9
174.11263	10.7
175.08775	1.0
182.05193	0.8
189.04036	0.8
190.08545	0.9
200.10829	0.7
204.08684	2.0
218.08224	1.1
219.01868	0.6
231.05057	2.4
237.02759	1.1
244.11835	0.8
254.07443	0.9
260.09134	1.1
272.11456	1.3
288.10559	1.4
290.10315	2.8
301.11838	1.0
306.09796	1.8
318.11914	3.2
319.12833	1.7
336.10718	1.3
336.16815	1.1
337.09106	2.0
337.13889	1.5
345.08975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00731	0.6
55.01873	1.9
55.05501	2.4
56.96561	1.6
57.03426	1.4
61.02917	1.7
63.25643	0.6
67.05493	1.2
69.03428	8.6
69.07065	2.6
70.06244	0.9
70.06595	9.1
70.07416	0.8
70.99584	0.6
71.05004	1.6
71.59200	1.0
72.08153	1.4
73.02908	0.7
81.03416	5.2
81.07058	0.9
82.14497	0.6
83.04990	0.8
83.08611	0.8
84.04495	0.9
84.08151	1.3
85.02904	22.8
85.06531	1.1
85.24303	0.6
85.79339	0.6
86.03236	1.1
86.09717	1.1
87.00827	4.3
87.04462	0.9
88.07632	100.0
89.07944	1.4
93.07029	1.1
95.04971	1.0
95.08603	1.0
96.04514	2.3
97.02888	6.1
97.06536	1.0
98.00642	0.8
98.97591	2.1
99.04436	3.0
99.50607	0.6
101.44549	0.8
105.01862	5.2
105.07028	0.9
109.02874	4.5
110.06084	1.1
111.08095	1.8
116.01662	1.7
116.07104	0.9
116.98620	2.1
120.08106	1.2
122.06049	1.0
124.07555	0.7
126.05527	1.0
127.03915	9.7
128.04341	0.8
128.10727	1.1
129.09077	0.8
133.10147	0.7
134.99617	0.7
136.07576	1.4
138.03731	2.8
138.05463	1.2
139.07523	1.3
145.04968	4.0
146.06090	0.8
147.02898	0.8
147.04404	1.0
152.07100	1.1
156.04796	2.9
156.08116	1.0
156.10187	1.5
157.08614	4.3
159.02946	2.3
164.07169	0.7
166.05014	0.8
174.05862	5.8
174.09097	0.9
174.11263	10.7
175.08775	1.0
182.05193	0.8
189.04036	0.8
190.08545	0.9
200.10829	0.7
204.08684	2.0
218.08224	1.1
219.01868	0.6
231.05057	2.4
237.02759	1.1
244.11835	0.8
254.07443	0.9
260.09134	1.1
272.11456	1.3
288.10559	1.4
290.10315	2.8
301.11838	1.0
306.09796	1.8
318.11914	3.2
319.12833	1.7
336.10718	1.3
336.16815	1.1
337.09106	2.0
337.13889	1.5
345.08975	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2581
Annotation	6E-Geranylgeraniol-19-oic acid-1-O-methyl ether
Peak:m/z	Relative Intensity
53.03937	1.8
55.01846	1.0
55.05515	10.1
57.03441	14.3
57.07063	2.5
65.03942	1.4
66.14764	0.7
67.05508	53.4
69.07072	10.9
71.32327	1.3
79.05063	1.6
79.05497	22.0
81.07063	55.5
83.04951	1.2
83.08620	5.8
85.06542	1.0
91.05490	14.0
93.07050	32.0
95.04978	3.2
95.08611	43.8
97.06533	3.1
97.10165	2.8
98.98483	0.9
105.07044	12.1
107.08595	20.5
109.06519	1.3
109.10169	19.9
111.08047	1.5
117.07014	3.2
119.08592	10.5
121.10154	16.7
123.08099	1.4
123.11726	8.3
125.09644	1.0
129.05496	1.3
129.06969	0.9
131.08597	8.2
133.10135	6.8
135.11702	15.7
137.09634	1.4
137.13232	3.0
145.10132	5.2
147.11714	6.0
149.13263	7.9
157.10187	1.0
159.11665	4.5
161.13287	4.3
163.11224	1.0
163.14865	4.7
173.13243	5.3
175.14806	1.7
177.12756	0.9
177.16409	1.8
179.14200	0.8
181.12325	0.7
187.14830	2.3
191.14336	1.0
220.57996	0.9
243.21094	8.0
247.87563	0.7
261.22177	10.7
279.23032	1.1
317.21231	1.2
317.24750	3.0
335.25836	100.0
336.26047	2.6
359.14355	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	335.237
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03342	1.3
53.03954	2.7
55.05520	17.0
55.55055	1.1
57.03442	16.5
57.07075	2.8
65.03951	3.8
67.05509	68.5
69.03432	2.0
69.07073	16.7
71.04993	6.8
71.47784	3.0
74.71519	1.2
77.11751	1.3
79.05500	37.6
81.07063	68.2
83.04974	2.9
83.08607	8.0
85.06564	1.6
91.05485	28.3
91.06010	2.2
93.07050	45.8
93.07623	2.3
95.04978	8.5
95.08614	58.6
97.06566	4.7
97.10190	3.4
105.07047	29.1
107.08599	25.9
107.09284	1.6
109.06547	3.7
109.10160	20.9
111.08082	2.3
115.05410	1.4
116.06278	1.8
117.07010	8.5
119.08595	29.8
121.10152	22.8
123.08098	2.8
123.11699	8.2
125.09680	2.0
128.06288	1.9
129.07050	4.6
130.07820	1.8
131.08580	23.6
133.10138	25.8
135.08096	3.2
135.11710	13.9
137.09622	3.0
137.13326	4.1
141.07063	2.0
142.07855	3.9
143.08571	10.0
144.09380	2.1
145.10138	21.1
147.11687	9.9
149.09688	3.2
149.13280	7.0
155.08623	3.8
156.09419	4.5
157.10165	10.4
158.10918	3.4
159.11685	8.0
161.09659	2.6
161.13362	4.4
163.14923	3.0
168.09384	1.6
168.63109	1.4
169.10162	3.0
170.11031	1.7
171.11711	7.2
173.13298	19.8
175.14859	6.9
177.16492	2.1
179.08691	1.7
181.10202	3.5
182.10999	2.1
183.11731	2.9
185.13338	4.6
187.14842	6.5
189.12872	1.8
193.10239	2.3
194.10933	1.6
195.11792	3.9
197.13342	5.7
199.14803	6.0
201.16515	1.5
206.11017	1.6
207.11754	1.6
208.12657	1.5
209.13361	5.6
211.14792	1.9
212.15717	2.0
213.12671	1.5
217.24716	1.3
221.13387	3.6
223.14912	2.0
235.14865	2.9
243.21263	4.6
247.14844	1.4
251.17952	2.0
261.22162	7.0
265.19574	2.1
277.19647	2.5
317.24969	3.1
335.25970	100.0
336.26141	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	335.2212
Annotation	Phomactin A
Peak:m/z	Relative Intensity
55.05500	5.6
56.96563	2.5
57.03430	3.1
57.07081	1.8
60.04519	2.1
65.03929	1.4
65.69346	1.2
67.05512	19.3
69.03430	1.9
69.07081	7.5
71.08626	1.8
71.60484	1.3
75.29073	1.3
79.05503	11.8
81.07062	19.3
83.04933	2.4
83.08617	4.2
91.05502	8.1
93.07056	15.1
95.04972	2.9
95.08607	20.0
97.06515	2.3
97.10172	1.3
98.94954	1.2
104.69292	1.3
105.07027	12.4
107.08604	11.9
109.06501	4.2
109.10155	11.4
111.08096	1.4
117.07021	2.6
119.08574	10.6
121.06493	3.2
121.10151	9.3
123.08121	2.2
123.11706	4.8
128.06224	1.4
131.08569	6.2
133.10156	8.7
135.08064	3.5
135.11705	5.2
137.06013	2.1
137.09641	2.3
137.13307	1.7
143.08580	2.0
145.10117	6.3
147.08064	2.7
147.11671	5.4
149.09616	3.1
149.13264	3.3
157.10121	4.8
159.08083	1.9
159.11673	4.9
159.67661	1.2
161.05986	3.2
161.09564	2.2
161.13258	4.0
163.11176	2.6
163.14903	2.3
171.11734	4.4
173.13231	4.1
175.07552	1.6
175.11186	1.7
175.14809	2.7
183.11656	1.7
185.13245	1.3
187.14857	2.0
189.16299	1.7
197.13287	2.3
199.14813	2.0
203.14339	2.5
215.14334	1.9
227.17955	4.2
229.15805	1.7
233.15443	1.5
243.21207	3.3
245.19009	12.4
261.22284	2.4
267.37277	1.3
269.19083	2.2
271.20667	6.8
271.81708	1.4
275.20093	3.6
281.19022	3.5
287.19919	2.2
299.20169	19.4
317.21021	11.9
317.24420	2.0
318.21500	1.5
335.21967	100.0
335.25790	18.2
335.29977	5.7
336.22293	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	335.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.2
56.96560	1.0
57.07079	2.8
57.83221	0.8
58.88044	0.7
59.56278	0.6
67.05507	3.6
69.03419	1.2
69.07072	2.7
70.06596	4.7
71.60725	0.9
73.02918	0.9
79.05476	2.2
81.03439	1.1
81.07066	4.3
83.04974	4.1
83.08615	1.4
86.09711	36.7
88.07640	8.3
91.05495	1.6
93.07031	4.2
95.04985	2.1
95.08603	5.7
95.56855	0.7
97.06518	1.3
101.48930	0.8
102.09179	3.3
103.05488	3.1
103.09531	1.8
105.07050	2.1
107.08604	2.3
109.02846	0.9
109.06538	0.8
109.10167	3.5
119.08615	2.5
120.08112	100.0
121.06520	4.6
121.08468	1.1
121.10158	1.4
123.08068	2.3
123.11718	0.9
125.09665	0.7
126.05543	1.2
128.10721	16.0
131.08598	2.2
133.10187	2.0
135.08063	1.7
135.69725	0.8
138.05489	0.8
139.11153	1.0
143.08591	1.1
145.10185	1.1
147.11714	1.3
149.13292	0.8
151.11160	0.8
154.19334	0.8
156.10201	3.0
157.10152	1.4
159.11716	2.0
161.13289	0.9
163.07594	2.5
180.10204	59.6
201.16438	0.8
219.14116	0.8
228.23209	6.9
229.23557	18.4
299.20142	1.4
317.13348	0.9
317.21085	1.6
317.28833	1.2
335.22626	3.6
335.26370	1.6
335.29855	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1237
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17414	0.5
53.03938	0.8
53.84792	0.5
53.91604	0.6
55.05516	1.0
58.09064	0.5
65.03938	2.8
65.95427	0.5
67.05504	4.2
69.07069	100.0
70.00325	3.3
70.07410	0.7
79.05489	1.2
80.05027	1.1
81.03424	0.8
81.07059	6.8
83.04986	0.6
87.09542	0.5
91.05483	1.2
92.05009	3.6
93.05803	1.3
93.07050	1.7
94.06571	4.1
95.04969	2.1
95.08619	2.0
96.08167	1.3
97.06535	16.7
97.07140	1.1
98.21476	0.6
104.04973	0.6
105.07015	1.1
106.06570	0.6
107.03728	0.5
107.08630	1.2
108.04503	1.1
109.06536	1.5
109.10167	1.4
110.06005	0.7
119.03719	1.1
119.08551	0.7
120.04486	1.4
120.08154	0.6
121.05283	0.6
121.06499	0.9
122.06032	8.5
124.07581	2.1
125.06000	1.2
126.05511	0.6
131.07350	1.1
132.08113	1.0
135.08089	0.5
137.05984	3.7
138.05501	6.0
140.07074	8.8
141.07832	0.7
144.08069	2.5
145.08862	2.7
145.10126	2.2
145.11211	0.6
146.09634	4.0
147.06831	0.7
148.03949	1.7
150.05510	84.3
151.05898	1.3
151.11150	0.6
152.03448	1.3
155.08566	0.9
157.08873	2.5
157.10043	0.6
158.06143	0.9
158.09578	0.8
159.10443	1.3
160.07486	0.9
160.11240	1.2
161.08371	4.4
162.09152	2.5
163.05106	0.6
164.03456	1.6
165.04247	1.6
166.05005	32.4
168.06544	0.9
172.07613	1.8
172.11212	4.4
173.08372	3.3
173.09683	1.0
174.09186	1.0
174.12810	5.9
176.03447	8.1
178.05020	2.5
182.04495	0.9
185.08376	2.0
186.05540	0.7
186.07654	1.6
186.09169	0.8
187.09998	0.9
188.10704	1.9
190.08661	0.9
190.12321	4.3
193.06181	0.7
194.04474	3.0
198.07780	1.1
198.09367	0.8
199.06267	0.7
200.07103	1.1
200.10701	6.7
202.12294	7.4
204.10280	0.6
206.11870	0.7
213.07980	0.6
213.10199	0.8
216.10161	3.7
218.08215	1.5
218.11765	27.7
219.12192	0.7
226.08656	1.3
227.11757	0.6
228.10207	18.1
229.13345	1.5
234.11201	4.0
243.11346	1.5
244.09734	1.5
245.12914	2.0
246.11272	29.5
247.11586	0.7
254.08130	0.6
255.11366	1.2
256.09653	1.7
257.09219	1.1
261.08698	1.3
261.12363	1.0
262.10690	1.0
271.10797	5.0
272.09103	3.7
273.12402	3.8
274.08112	0.5
274.10645	3.7
287.10245	8.2
288.11212	0.6
289.11829	11.4
290.10300	1.9
291.13492	1.0
298.44583	0.6
299.10251	6.0
300.08511	0.7
317.11346	32.5
335.12384	31.4
335.16418	1.0
335.22150	1.1
336.12732	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	335.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
55.01868	2.0
55.05503	2.7
65.03929	0.8
66.99329	0.8
67.05494	4.5
67.81089	0.8
69.03411	3.5
69.07076	6.1
70.06579	3.2
71.04973	2.6
71.14928	0.8
71.30324	1.5
71.30666	1.0
71.46098	0.8
72.08140	1.9
73.02881	0.9
79.05482	3.6
81.03419	1.4
81.07063	6.3
83.04985	1.4
84.04496	1.6
84.08118	1.5
85.02901	1.7
85.06518	1.8
86.09685	3.2
90.06461	0.9
91.05460	3.8
93.07044	4.9
94.06558	2.0
95.04967	4.9
95.08614	5.4
96.08097	1.7
97.02876	2.4
97.06549	1.9
98.98457	2.1
99.04390	1.0
105.07023	3.1
106.06522	1.1
107.04989	1.2
107.08610	4.7
108.04447	1.3
108.08186	1.0
108.08935	0.9
109.02886	1.6
109.06503	2.5
109.10157	6.0
109.25757	0.9
110.06049	1.0
111.04420	1.7
111.08052	1.1
114.24027	0.9
115.05425	1.1
116.07104	1.8
119.04944	1.3
119.08604	4.9
120.08076	2.9
121.06549	1.0
121.10114	2.2
122.06018	3.2
123.05619	0.8
124.07595	4.6
125.05978	1.0
126.01448	0.9
126.05450	1.8
126.09129	1.4
127.03944	1.0
128.06168	0.8
129.06984	2.0
131.08572	2.1
133.10095	1.3
134.06017	1.4
135.08035	2.2
135.11690	1.5
136.07576	6.1
137.05911	1.1
137.09596	3.1
138.05533	4.5
138.09129	1.1
140.07083	1.6
142.07762	1.1
143.08513	1.1
145.10135	1.3
146.09596	1.2
147.11688	1.4
149.09610	1.1
150.05496	3.0
152.03375	2.6
154.04982	2.4
155.10657	5.1
157.08846	1.3
157.10088	2.0
158.09659	1.1
159.11693	2.0
160.07574	1.7
162.05498	5.3
162.09081	1.7
164.07043	4.8
166.05008	3.1
168.06561	1.4
171.09163	0.9
172.07611	1.7
173.11716	1.9
173.13086	1.2
175.08614	0.9
176.03436	1.6
178.05043	2.1
182.04504	1.4
182.08199	2.3
184.07556	1.6
185.09618	1.4
186.09174	2.7
187.08662	1.5
188.07053	1.4
190.08592	1.5
191.14207	1.2
192.02956	4.7
194.04446	1.6
197.10764	1.6
198.07759	2.6
198.09294	2.0
199.08492	1.6
200.10849	1.2
201.06642	1.4
201.10164	1.2
202.08618	1.9
202.82893	1.3
208.06087	1.2
210.03931	2.5
210.07901	1.5
212.07033	1.5
212.09341	1.4
213.06581	1.8
213.10228	4.0
214.08650	2.4
215.07999	1.3
215.09833	1.0
215.11765	1.2
216.06496	1.1
216.10257	1.6
218.11787	1.2
219.07571	1.1
225.10236	4.4
226.08517	3.2
226.10619	1.2
227.08119	2.4
227.11784	4.0
228.10362	1.5
229.09789	3.3
232.09737	1.9
233.09262	1.0
239.08208	0.9
240.06596	1.4
240.08929	1.6
241.09714	3.7
243.11259	6.7
244.09875	1.1
246.11198	1.9
246.77040	1.0
253.09770	3.3
254.08005	1.2
255.11330	3.1
256.09836	1.4
257.09219	14.2
259.10733	1.2
261.12274	1.6
269.09314	2.2
271.07632	1.2
271.10782	18.8
272.09201	4.5
272.11694	1.1
273.09702	1.0
273.12363	3.5
274.10699	4.7
275.10406	1.8
287.10260	34.2
288.11002	3.8
289.11810	12.8
299.10284	27.6
299.12955	0.7
299.19781	1.0
300.08615	2.0
317.11328	100.0
317.21002	1.9
318.11768	1.4
335.12347	33.5
335.15298	1.6
335.18677	2.0
335.22159	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	335.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69062	1.5
57.06242	1.3
64.38052	1.3
65.03937	4.8
65.27628	1.3
67.05515	6.8
67.58252	1.4
68.26208	1.3
69.03429	2.2
69.07069	95.2
70.07391	1.5
71.40248	2.4
75.29682	1.3
79.05454	1.5
80.05002	2.0
81.07040	5.7
91.04215	1.4
91.05492	3.1
92.04995	3.3
93.07036	4.5
94.06556	4.6
95.04980	3.5
95.08591	4.3
95.50576	1.4
96.08108	2.2
97.06526	17.7
102.57426	1.5
105.07021	2.3
107.08575	3.2
109.10097	1.5
119.08533	1.4
121.06510	2.9
122.05286	1.5
122.06030	9.8
123.11806	1.4
124.07575	4.4
125.05994	2.3
137.05994	2.5
138.05508	3.6
140.07086	7.1
142.07703	1.6
143.08516	2.3
144.08083	1.5
145.08830	1.8
145.09981	1.7
146.09634	3.0
150.05507	100.0
151.05899	1.8
157.10089	1.9
161.08374	3.5
161.09607	1.5
166.05002	26.5
168.06535	2.0
172.11188	3.6
174.12811	2.3
176.03413	8.8
178.04895	1.6
186.07579	2.0
190.12285	4.5
194.04504	4.6
198.07864	4.4
200.10722	4.4
202.12260	5.1
202.51883	1.6
213.10329	2.8
216.10181	3.1
218.08086	1.5
218.11772	13.7
222.09348	1.7
226.07246	2.0
228.10297	7.4
241.09738	4.0
243.11284	3.0
245.12775	2.5
246.11256	13.4
253.09526	1.7
255.11357	2.7
257.09409	1.9
269.09348	1.8
271.10767	7.6
272.09042	2.8
273.12274	2.7
274.10638	2.6
287.10260	48.0
288.10764	1.8
289.11798	8.4
293.18353	1.5
299.10263	6.8
317.11301	39.5
317.14944	3.1
317.21078	2.2
335.12457	16.5
335.22351	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	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	6.9
55.01871	19.2
55.05503	16.4
57.03432	4.8
65.03948	7.3
67.05503	28.2
68.99793	3.1
69.03434	17.0
69.07066	21.1
70.93021	7.7
71.01360	2.8
71.04979	10.7
75.22985	2.8
76.65719	3.3
79.05492	37.0
81.03410	7.7
81.07056	50.1
83.04983	11.2
83.08620	3.8
85.02909	3.7
85.06551	9.6
91.05476	46.2
93.07043	44.6
95.04971	41.3
95.08607	37.4
96.04534	2.8
97.02885	25.0
97.06539	13.0
97.10175	6.1
99.04437	6.6
99.08104	5.3
101.06015	3.8
103.05476	6.4
105.04434	2.6
105.07029	76.6
107.04949	16.7
107.08589	29.8
109.02880	13.7
109.06510	18.0
109.10153	27.8
111.04441	6.1
111.08102	4.5
115.05465	8.6
117.07025	12.5
119.04931	31.2
119.08595	29.4
120.08092	3.8
121.02872	3.1
121.06522	16.3
121.10136	22.1
122.06071	5.6
123.04436	5.8
123.08062	9.3
123.11711	9.2
125.06002	3.4
125.09657	5.6
128.06230	12.5
129.06985	29.3
130.07797	3.4
131.04909	6.3
131.08560	22.9
133.06506	28.5
133.10115	18.6
134.07292	8.3
135.08044	11.1
135.11694	10.5
136.07578	9.9
137.05986	13.1
137.09627	24.3
137.13179	3.9
139.11227	7.6
141.05464	3.1
141.06985	13.9
142.06741	6.0
142.07774	54.1
142.08794	4.8
143.08557	22.9
144.05682	6.3
144.09337	4.5
145.06479	13.1
145.10123	20.3
147.08037	6.6
147.11668	14.7
149.05992	5.1
149.09628	14.6
149.13254	5.9
151.07545	6.1
151.11166	6.9
152.06184	9.1
153.07028	4.0
154.07741	8.6
155.08549	4.5
157.06502	5.9
157.10129	51.8
158.07190	3.3
159.08078	17.4
159.11678	23.9
161.09610	14.4
161.13318	3.8
163.07521	4.4
163.11218	9.3
164.07065	15.3
165.07056	8.5
165.09113	4.7
167.08537	22.7
169.06529	4.4
169.10126	11.4
170.07278	9.8
171.08054	13.1
171.11584	4.2
172.08775	3.7
173.09731	6.5
173.13243	5.8
175.07553	4.9
175.11186	15.0
175.14839	4.5
177.09146	5.7
179.10754	3.6
182.08121	11.7
182.26816	3.4
183.11597	3.4
185.09610	100.0
185.13257	4.8
187.11186	10.8
187.14795	9.6
189.12865	4.4
191.14389	3.3
193.12242	4.6
195.08029	19.0
197.09610	3.0
198.06824	4.5
199.14810	3.4
201.12845	3.3
203.10683	31.0
205.12132	4.1
209.13368	3.6
213.09103	67.6
213.12453	6.3
215.14168	3.6
219.13774	4.7
221.11790	6.1
229.09724	5.2
231.10155	29.5
231.13799	7.5
243.11295	6.0
245.09267	7.2
249.11162	20.9
253.19514	3.1
262.04092	3.2
263.17715	3.7
265.41403	3.1
271.10721	11.5
271.20712	3.6
281.18936	6.4
287.10098	4.5
289.11603	4.6
299.10297	3.7
299.20044	14.4
305.11310	4.6
310.35657	2.9
317.10391	9.2
317.20975	19.2
335.11835	8.8
335.22049	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	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02388	1.3
52.00912	1.4
53.03938	2.5
55.01855	4.0
55.05505	5.1
55.90018	1.5
56.96556	3.0
57.03420	1.2
65.03947	6.7
67.05499	14.2
68.99792	4.4
69.03419	5.6
69.07064	5.4
70.79363	1.4
70.79703	4.4
71.04993	3.5
79.05495	56.7
81.03450	1.9
81.07064	27.4
83.04986	7.0
87.00833	2.0
91.05482	55.1
92.06283	1.4
93.07045	20.6
95.04968	17.6
95.08614	12.5
97.02900	11.8
97.06525	11.9
99.04463	3.2
103.05470	6.1
105.07032	82.1
107.04957	19.0
107.08607	41.5
109.06512	18.2
109.10165	7.4
111.04450	2.1
111.08053	2.0
115.05471	6.7
116.06242	1.9
117.07015	14.7
119.04942	14.8
119.06062	2.4
119.08599	17.1
121.06517	9.6
121.10157	4.8
123.08074	9.6
123.11676	2.9
124.07594	2.1
125.06001	12.6
128.06224	11.5
128.29022	1.3
129.07014	34.8
130.07770	6.3
131.08566	31.5
133.02840	2.4
133.06503	12.3
133.10136	10.1
135.08058	4.4
137.05960	7.1
137.09573	3.1
139.11179	1.8
141.05544	1.5
141.06996	10.8
142.07787	75.9
143.08598	17.2
144.05713	1.9
144.09343	13.7
145.06482	11.3
145.10126	15.0
146.07253	2.3
147.03377	1.5
147.08047	4.5
147.11684	9.2
149.05981	3.2
149.09641	3.4
151.07533	13.2
151.11192	2.7
152.06216	4.4
153.07048	2.9
153.09073	2.1
154.07776	8.8
155.08534	2.0
157.06537	4.6
157.10132	98.2
158.07265	2.5
158.10466	2.8
159.08060	14.2
159.11697	49.1
161.05957	2.0
161.09625	8.9
161.13190	2.0
163.07529	3.0
163.11137	1.7
167.08572	7.8
168.09244	1.3
169.10127	9.2
170.07343	9.3
171.08051	9.0
172.08818	4.7
173.09682	2.3
173.13416	1.6
175.07541	4.5
175.11185	17.0
175.14775	1.4
177.09114	2.3
183.08015	1.6
185.09622	100.0
187.11205	20.5
189.09058	6.8
193.12234	2.8
195.08060	4.0
198.06773	3.9
199.11221	1.9
203.10672	75.5
204.10970	1.8
205.12247	1.5
213.09113	74.8
214.09612	2.0
221.11736	12.0
231.10141	17.3
245.11829	1.9
249.11255	8.7
253.19487	1.5
281.19415	1.4
291.12253	11.9
293.10065	2.6
295.36569	1.5
299.19986	1.8
317.21188	5.4
335.11417	3.6
335.18555	1.7
335.22159	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	335.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42218	1.7
53.03934	5.0
55.01857	7.5
55.05498	7.3
59.66348	1.7
65.03930	4.9
67.05505	18.9
68.99780	3.4
69.03413	6.2
69.07078	9.0
71.04989	5.3
71.11703	3.3
71.12032	1.9
79.05065	3.4
79.05498	56.7
81.03421	2.3
81.07056	36.5
83.04981	9.9
87.00793	3.0
87.04462	2.3
91.05482	55.1
93.07038	24.2
95.04962	17.3
95.08607	13.4
97.02890	12.2
97.06534	11.2
97.10178	4.5
98.32693	1.7
99.04510	2.1
99.08113	1.8
101.06040	2.3
103.05450	4.4
105.07034	92.8
107.04956	18.9
107.07874	2.4
107.08597	43.0
109.06521	18.2
109.10159	9.1
111.04415	2.8
111.08067	2.3
113.05968	3.0
115.05428	9.1
116.06206	2.4
117.06998	17.1
119.04933	11.9
119.06042	2.6
119.08583	14.1
120.08100	1.8
121.06509	11.5
121.10137	9.1
123.04436	2.4
123.08069	11.7
123.11703	3.5
125.06010	12.2
125.09621	2.3
127.07555	3.1
127.11178	3.7
128.06223	9.2
129.05553	1.9
129.07002	34.4
130.07780	6.2
131.04939	2.2
131.08575	26.2
133.02843	2.1
133.06511	11.1
133.10144	12.7
135.08054	4.8
135.11685	3.2
137.05971	6.0
137.09621	4.1
139.11189	2.6
141.06992	11.5
142.07780	73.7
143.08595	18.4
144.09358	14.1
145.06491	9.9
145.10107	17.4
146.07288	2.8
147.08047	4.1
147.11707	10.0
149.05960	3.2
149.09590	8.1
151.07512	12.1
151.11172	2.4
152.06230	2.6
153.06924	2.8
154.07736	8.8
155.10559	2.5
157.06439	3.0
157.10126	96.9
158.07272	4.7
158.10559	2.3
159.08052	19.7
159.11697	61.9
160.11993	2.2
161.06003	2.7
161.09636	9.2
161.13275	1.8
163.07564	2.4
163.11125	4.7
163.14899	2.8
165.07042	2.6
167.08557	8.4
169.06367	2.4
169.07657	2.7
169.10141	10.4
170.07300	10.3
171.08127	8.9
171.11720	1.9
172.08876	2.6
173.09560	3.3
175.07568	5.4
175.11166	12.7
177.09062	2.3
185.09622	100.0
186.10034	3.4
187.11177	23.8
189.09084	4.8
195.08112	3.7
197.05811	1.9
198.06732	5.6
201.09105	3.1
203.10667	74.5
206.37222	1.7
213.09113	83.6
220.24020	2.1
221.11728	11.9
231.10178	27.1
245.11656	3.2
249.03659	2.2
249.11165	5.5
271.10880	1.9
289.21558	4.2
291.12241	16.7
299.20169	2.7
317.21100	10.3
335.11438	3.3
335.22128	9.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.0739
Annotation	(-)-Arborescidine C
Peak:m/z	Relative Intensity
53.61261	2.0
56.96563	4.9
57.18603	1.7
60.50164	1.9
61.02899	6.3
69.52454	18.1
69.79523	2.0
69.85934	1.9
85.02904	2.5
92.88766	2.0
98.20796	4.0
98.97597	3.5
107.24968	2.2
110.97562	2.2
112.89617	2.2
128.02271	4.9
132.51985	2.1
145.03546	2.2
208.97118	2.0
213.03374	2.3
213.53516	6.1
219.01744	4.0
335.07370	100.0
336.07944	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	335.0741
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20515	6.8
56.96566	100.0
60.67105	7.5
61.02925	16.2
69.03426	13.9
70.06586	10.5
70.80603	20.6
70.98123	17.3
73.02917	11.0
74.97607	8.9
78.14610	7.2
81.03421	13.7
84.08157	9.4
85.02905	42.3
85.03670	6.3
87.04469	10.8
88.99161	12.4
95.08604	11.3
97.02865	35.3
97.06508	8.6
98.97591	74.3
98.98506	10.8
99.09253	7.1
101.83635	8.5
110.97574	16.1
116.98640	66.9
119.01841	12.9
120.08123	16.9
123.05541	64.6
127.03955	8.8
128.98610	29.4
131.00169	7.7
133.03520	7.5
134.99637	25.6
137.06200	7.8
143.00237	8.6
143.01886	17.5
145.01720	7.3
145.04953	14.4
145.06525	7.2
146.99654	31.1
149.01219	10.4
158.99675	14.8
161.01109	10.3
161.03001	36.3
163.02768	8.6
165.00749	24.0
169.01765	8.0
172.97600	11.2
173.02090	49.7
173.06636	11.5
174.99158	16.6
175.02739	19.9
177.00708	32.4
177.02161	7.8
185.06505	10.5
189.00758	15.1
190.98639	74.5
191.02286	16.4
193.00258	23.0
193.03902	9.0
203.07761	11.6
205.00163	19.7
205.03719	7.1
208.99699	26.1
218.98155	21.3
219.01781	42.7
221.05171	9.9
223.01244	21.6
223.04810	14.2
232.99710	58.1
234.99057	12.8
237.02815	83.8
247.01277	11.4
251.00774	34.4
255.01764	28.1
273.02823	28.2
275.00851	19.0
289.09579	11.5
291.03833	26.4
293.01807	37.2
293.10831	40.7
307.10785	16.3
309.04865	44.1
313.02258	10.3
335.07318	99.5
335.11209	52.3
335.22681	9.7
336.07834	9.0
353.11243	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	334.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92688	5.5
55.05509	9.8
56.96564	5.8
57.35706	4.4
64.06368	4.8
67.05505	31.3
69.03432	12.0
69.07072	26.0
75.50218	4.9
78.05110	5.0
79.05511	16.0
81.03442	5.7
81.07057	46.8
83.08614	10.9
91.05523	12.9
93.07056	23.4
95.04947	6.3
95.08620	36.1
97.06547	14.7
98.98506	6.2
105.07048	58.6
107.08609	23.9
109.06542	6.5
109.10141	39.1
119.08601	20.9
121.10184	13.5
123.11726	17.6
131.08583	15.3
131.65393	5.3
133.10139	13.9
135.11723	9.8
143.08539	6.5
145.10124	12.2
147.08075	9.3
147.11690	9.6
149.06033	6.4
155.08667	5.4
157.10127	12.1
159.11667	9.1
161.09647	11.7
161.13318	6.4
163.14854	11.1
169.10144	20.4
173.13394	7.4
175.14851	11.1
183.11714	9.2
197.13199	11.0
199.14883	7.2
219.13889	17.4
229.12242	10.5
239.17982	24.3
257.19119	6.5
264.25348	6.2
281.19144	6.3
299.20056	49.8
317.21155	100.0
334.20407	6.4
334.23929	14.5
335.25885	30.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01603	1.8
55.05505	5.9
56.96567	3.9
57.03436	4.4
61.02924	3.6
62.01649	1.6
65.51776	1.9
67.05487	4.8
69.03425	9.7
69.07066	5.5
70.06591	10.2
70.93825	3.3
70.94145	2.3
71.04982	4.4
73.02910	2.6
79.05509	5.8
81.03423	4.6
81.07062	22.9
82.07359	1.7
83.04996	2.3
83.08604	5.5
84.04514	2.5
84.08155	2.7
85.02496	2.1
85.02913	22.0
85.06538	3.9
86.09693	6.9
91.05487	4.4
93.07031	4.7
95.04954	2.0
95.08616	4.9
97.02893	8.0
97.06507	3.5
98.09732	2.0
98.97581	4.9
98.98476	5.7
99.04408	2.2
99.08063	2.5
102.72999	1.6
107.08608	2.3
108.08110	2.8
108.08900	1.6
109.06516	17.3
109.10175	2.5
110.06102	3.1
110.06895	1.8
111.04495	2.2
111.08077	3.3
112.07641	2.4
115.03886	1.9
116.98598	3.0
118.06880	9.0
119.08568	3.2
121.10209	2.3
124.07588	12.0
126.09154	39.8
127.03905	5.8
127.05712	1.8
127.07542	19.8
133.10091	2.0
134.99646	2.2
137.05997	4.4
138.09142	4.0
145.05002	2.9
146.99745	1.8
154.08630	54.0
155.07031	33.7
172.09691	100.0
173.08011	2.0
173.09924	1.9
187.14583	1.9
188.07349	2.8
199.87163	1.9
231.05258	2.0
287.10306	6.3
289.11847	3.8
299.10367	3.2
299.19916	2.6
316.13922	4.0
317.11340	8.6
317.21045	8.3
334.09006	19.1
334.14948	7.9
335.12283	5.8
348.60342	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	333.2059
Annotation	Gibberellin A12
Peak:m/z	Relative Intensity
55.05505	5.2
56.96551	1.6
57.03428	2.2
57.07077	1.2
57.95194	0.9
67.05492	8.4
69.03423	2.5
69.07059	5.8
69.97240	5.0
78.95804	1.0
79.05489	6.2
81.03428	1.4
81.07060	19.1
83.04986	2.7
83.08610	2.9
85.02898	2.2
85.06523	1.3
89.57625	1.0
91.05480	9.0
93.07038	15.0
95.04966	4.1
95.08604	24.6
97.02917	1.5
97.06511	3.1
97.10178	3.4
98.09702	1.6
98.20789	1.1
98.97526	1.2
98.98463	14.4
99.04450	1.4
105.06377	2.0
105.07030	20.1
107.04940	1.3
107.08602	15.6
109.06506	2.1
109.10156	18.1
111.04433	1.9
111.08108	1.5
117.07011	3.8
119.07793	1.6
119.08580	19.5
120.08098	1.5
121.06462	1.4
121.10130	9.3
123.04403	1.5
123.08044	2.8
123.11677	3.9
125.09626	1.7
127.07594	1.3
129.06993	1.8
130.35889	1.1
131.08566	7.7
133.06491	2.1
133.10129	19.0
135.08052	2.4
135.11705	7.8
137.05969	5.9
137.09665	2.3
137.13229	1.2
140.10701	1.4
143.08543	3.9
145.10136	12.8
147.04431	2.3
147.08046	3.0
147.11688	44.0
149.09604	3.0
149.13274	7.5
151.07584	1.7
151.11177	2.7
155.08542	2.0
157.10147	6.2
159.08015	2.0
159.11703	12.1
161.09642	1.8
161.13263	5.3
163.07524	1.6
163.11147	2.0
165.09143	3.4
165.12730	4.2
167.07033	3.9
167.10696	1.4
168.06531	1.3
169.10184	1.3
171.11659	7.6
173.13251	7.4
175.11185	2.0
176.98976	2.2
177.09073	2.6
177.12788	1.8
179.10608	5.4
183.11720	1.2
185.13226	9.2
187.11227	2.3
187.14851	2.3
189.09187	1.3
191.10638	1.5
193.12228	41.8
195.11732	1.3
199.14819	6.4
201.09315	1.0
201.16434	2.2
203.07152	1.1
203.10719	1.5
205.12267	3.8
207.13884	1.3
209.13289	2.1
211.14815	2.1
213.12769	1.3
213.16405	5.2
217.12280	3.1
219.09839	1.0
227.11827	2.9
231.13733	2.3
241.19513	46.1
242.20001	1.5
243.21106	4.1
251.17979	3.0
255.11234	1.8
259.20590	2.9
269.18970	12.5
275.12796	4.1
287.20044	93.0
288.09827	2.5
288.20395	2.7
297.18414	1.6
315.13263	5.4
315.19498	7.8
333.13736	5.9
333.20596	100.0
333.23981	5.1
334.20789	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	333.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	0.7
57.03425	0.5
57.07065	0.5
67.05508	2.1
69.07070	0.5
69.77973	2.6
79.05487	1.6
81.07082	2.1
83.08594	0.5
91.05460	1.5
93.07034	1.6
95.04955	0.8
95.08617	1.3
97.06524	0.7
98.98477	5.9
100.98892	0.6
105.07014	2.7
107.08572	1.4
109.10143	1.7
111.04465	0.5
119.08599	1.5
121.10164	0.9
131.08589	0.7
133.10136	1.4
145.10083	0.7
147.11693	0.6
149.13330	0.5
159.11777	0.7
171.11606	0.7
176.98932	1.2
211.14873	0.7
243.14479	0.5
259.20673	0.7
285.10052	0.9
315.19769	0.5
333.20380	100.0
334.20654	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	333.204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.4
56.96556	1.6
57.03429	0.9
57.07067	1.4
65.03915	1.4
67.05515	7.3
69.03400	1.5
69.07053	1.7
69.89405	5.3
71.95258	1.3
78.93616	1.0
79.05513	4.8
81.03439	1.1
81.07058	6.9
83.04985	2.0
83.08606	1.7
85.06534	1.3
90.69485	0.9
91.05479	3.9
93.07053	4.9
95.04981	4.8
95.08616	4.7
97.06535	5.3
98.98466	14.8
100.98876	1.3
105.07038	5.1
107.08604	8.2
109.06534	2.9
109.10172	6.4
111.04418	1.7
119.08617	4.6
121.10168	2.7
125.05943	1.7
127.03926	1.7
131.08556	2.2
133.10115	4.4
135.08093	4.6
135.11728	2.2
137.09636	2.2
145.10124	1.9
147.08040	1.4
147.11726	1.3
149.09694	1.6
153.09120	1.1
156.09319	1.5
157.10110	1.4
159.11670	1.8
161.09618	1.0
163.11148	1.4
171.11696	1.7
173.13174	1.0
176.99010	1.6
185.83476	1.0
193.04965	1.9
228.61497	1.0
235.13071	1.6
283.37671	1.0
285.10092	2.3
301.09607	1.3
315.16193	1.0
315.19553	2.4
333.20364	100.0
334.20526	1.9
351.18570	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	333.205
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	5.5
56.96557	3.8
57.07056	1.8
67.05493	2.6
69.03417	1.9
69.07050	2.4
70.06581	0.6
71.60116	1.3
71.62196	0.6
79.05497	1.6
81.07043	2.8
83.04966	0.8
83.08601	2.9
85.06533	1.6
87.04424	1.0
88.07605	1.3
91.05460	2.9
93.07035	2.6
95.04986	1.3
95.08620	3.0
97.02895	0.9
97.06508	1.2
98.98465	8.4
100.98933	1.2
101.83463	0.7
103.05475	0.6
105.07027	2.7
107.04977	0.9
107.08578	3.1
109.06490	1.0
109.10162	2.8
113.05965	0.7
117.06984	1.0
119.08550	3.5
120.08099	4.3
121.06538	0.7
121.10133	1.2
127.03928	0.7
129.07056	0.8
131.08556	1.0
133.06493	0.9
133.10135	3.1
135.08057	3.8
135.11687	1.5
137.05057	0.9
137.05937	4.7
145.10165	1.1
147.08047	2.0
147.11671	1.5
149.02313	0.9
149.09622	1.8
159.11673	1.6
161.09612	3.1
163.11148	0.8
169.10135	0.7
171.11772	1.1
173.09636	1.6
175.11214	0.9
175.14799	0.7
176.98923	1.3
185.09624	2.0
187.11147	1.2
199.11137	2.8
201.09790	0.8
203.10532	0.8
203.14305	4.1
207.08002	1.2
213.12740	1.2
215.14281	3.3
219.10834	1.0
225.11064	1.0
233.11757	1.2
239.11276	1.5
243.07364	1.8
245.11690	3.2
252.07745	0.7
254.58133	0.8
255.17418	6.1
257.06897	0.8
257.12311	1.6
263.12814	2.6
269.18967	0.7
287.20099	1.1
297.18326	1.0
302.24100	1.4
312.60495	1.0
315.19559	5.6
321.61105	1.5
333.11774	2.9
333.20370	100.0
333.31796	2.0
333.76129	2.0
334.20636	3.5
351.20184	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	333.1907
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
50.11507	2.3
53.03935	5.9
55.01857	7.0
55.05499	7.8
56.35732	2.6
57.03425	12.2
57.07080	18.6
59.04988	11.4
61.02906	13.1
63.08011	3.2
67.05240	2.2
67.05505	25.8
69.03073	4.0
69.03424	47.4
69.07066	17.6
69.54196	9.9
69.54627	15.8
71.04990	11.8
73.02906	8.4
77.50209	2.5
79.05489	7.4
81.03435	17.8
81.07052	11.6
83.08614	6.5
84.08128	5.1
85.02904	95.5
85.06550	17.0
86.09692	5.6
88.97920	3.0
91.03931	5.1
91.05460	7.7
93.07025	12.6
94.06579	3.7
95.04948	6.8
95.08604	77.0
97.02898	31.8
97.06512	8.8
98.98463	13.9
99.04438	6.6
99.08079	17.5
105.07023	3.7
107.08585	13.4
109.02879	8.4
109.06500	12.6
109.10154	27.1
111.08062	14.8
111.11689	3.8
113.08881	6.0
113.09643	99.0
115.03957	4.4
117.06989	3.7
119.08584	7.1
121.06591	3.4
121.10172	3.9
122.06011	2.9
123.11750	3.3
124.07557	4.5
127.03905	20.7
127.11181	56.9
131.08604	3.6
133.04996	3.4
135.11679	16.2
136.07576	3.3
137.05981	3.5
137.13269	5.1
138.05519	4.4
139.07536	4.2
140.07126	3.1
143.08493	3.6
145.04950	28.1
145.10072	4.1
147.11574	4.0
148.07602	5.1
150.05470	8.0
152.07072	36.2
153.12741	100.0
154.13025	4.3
155.14293	19.7
168.95932	2.8
171.05580	5.2
171.13786	65.9
177.12730	6.7
182.08127	4.4
213.10362	5.8
213.14723	7.1
225.10220	3.2
227.08083	3.3
227.11812	17.6
228.12468	6.0
241.09773	2.9
243.11336	8.9
245.12846	3.6
252.09439	4.1
255.11330	9.3
269.12894	15.2
271.10782	9.6
272.11414	5.1
273.12024	4.0
279.25055	3.8
287.13882	32.9
297.12259	5.5
315.09686	8.3
315.13358	25.8
315.19699	3.8
315.27167	4.0
333.10913	8.6
333.14447	31.4
333.19275	9.7
333.24594	3.9
333.28131	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	333.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	8.1
54.17650	4.1
55.01870	12.7
55.05515	27.5
57.03440	31.0
57.07077	43.6
61.02941	6.2
67.05502	21.2
68.46772	5.6
69.03445	41.3
69.07063	26.0
70.05334	28.4
70.06588	13.6
71.04988	15.2
72.08154	5.6
73.02922	9.8
79.05495	20.9
79.17351	5.4
81.03418	13.7
81.07063	55.5
83.04999	32.8
84.04517	12.1
84.08128	11.7
85.02908	72.8
85.06542	22.3
85.82612	5.5
86.09706	15.1
87.04456	5.6
91.05493	44.9
92.25758	4.5
93.07047	28.6
94.06571	5.6
95.04961	16.4
95.08610	28.7
96.08125	9.6
97.02895	36.0
97.06545	15.1
98.20772	6.2
98.98476	64.4
99.04453	11.1
99.08099	30.2
99.57785	4.6
105.07060	23.7
105.72034	4.6
106.06561	5.0
107.04955	9.8
107.08601	28.4
108.08127	7.0
109.02872	7.8
109.06520	20.9
109.10159	57.7
110.09685	19.7
111.04419	5.3
111.08080	14.3
117.07001	10.7
119.08575	20.0
120.08108	28.2
121.06508	8.1
121.08864	6.3
121.10201	14.7
123.08049	11.4
123.11710	16.5
124.07587	10.6
125.05984	15.6
125.07841	6.8
125.09632	9.9
127.03925	27.5
127.11192	46.2
129.07068	6.8
129.10249	7.8
131.08586	12.5
133.06494	12.3
133.10161	10.7
134.05978	7.3
135.06847	7.2
135.08078	16.9
135.11681	18.2
136.07616	24.8
137.06003	17.4
137.09630	10.3
137.13239	7.3
138.09154	100.0
139.11186	5.7
141.07037	4.6
143.08568	6.3
145.04967	20.7
145.10129	7.1
146.11771	6.2
147.08067	6.6
147.11685	13.4
148.07576	16.6
149.09604	17.8
149.23863	5.0
150.09152	5.2
151.11185	8.9
153.07904	9.3
153.09045	7.4
153.12738	48.1
154.08614	15.7
155.14281	53.4
156.09253	6.5
157.10147	6.0
159.11749	10.3
162.05544	20.0
163.06004	11.0
166.08662	15.7
167.08633	4.9
171.05507	9.3
171.08911	18.1
171.10257	9.2
171.11722	8.3
171.13779	36.9
172.09744	11.6
173.12875	5.9
176.98999	8.2
177.12766	6.2
183.11734	7.1
185.09619	5.6
187.07431	7.0
189.12724	15.4
194.08136	5.4
195.13770	10.4
197.13327	5.1
207.13838	13.5
225.16411	7.8
227.17825	5.5
229.08754	5.2
243.11331	6.7
259.14563	5.9
273.14987	5.4
287.10739	5.7
287.13885	16.9
291.41931	5.1
297.18616	6.1
297.26175	6.8
305.15070	28.0
305.97748	5.6
315.09869	10.1
315.13428	23.0
315.19501	18.4
326.62308	4.9
333.10715	11.5
333.14337	25.9
333.17062	25.3
333.20660	32.3
333.24530	9.3
333.28201	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	333.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26556	0.3
54.95029	0.3
55.05503	0.6
67.05510	0.4
69.03422	0.6
69.07070	0.6
70.06593	1.2
71.04995	0.4
71.59113	0.6
72.08161	0.5
79.05492	0.6
81.07066	1.0
83.04983	0.8
84.04518	0.7
84.08134	1.0
85.02892	1.3
86.09704	1.2
91.05479	0.5
93.07036	0.9
95.08594	0.8
96.04469	0.5
97.02876	1.1
98.98463	3.8
105.06973	0.4
107.04967	0.4
107.08607	0.4
109.10120	0.5
110.07166	0.6
123.08076	0.4
126.09180	1.1
129.10303	0.4
130.06554	0.6
132.37144	0.4
135.04362	0.5
135.08054	0.5
136.04730	0.4
136.07607	0.6
137.09599	0.4
138.63875	0.4
146.06026	0.6
153.09119	0.6
154.08617	1.6
155.07002	0.7
171.09970	2.7
171.13754	0.4
172.09712	1.9
253.46614	0.5
303.15698	0.5
305.17227	0.4
312.72998	0.4
315.09860	0.8
315.13290	0.7
333.15198	100.0
334.15457	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	333.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.05501	1.5
56.96565	32.7
57.03439	1.0
67.05493	4.3
69.07047	1.5
70.33189	1.2
70.33595	2.2
71.95262	6.2
72.96030	1.1
74.97598	2.7
79.05489	2.2
81.07057	3.2
83.08620	0.9
84.96030	1.8
88.07607	0.8
91.05470	2.5
92.98643	0.9
93.07077	3.3
95.08629	3.1
97.96813	1.2
98.97565	1.2
98.98469	7.8
105.07027	2.7
107.08558	1.3
109.10149	2.3
110.97557	3.8
115.97840	1.8
116.98586	1.0
117.07008	0.8
119.08557	2.7
121.10123	1.6
123.01178	1.6
124.99193	0.6
128.98610	14.4
129.05440	0.9
133.10100	2.4
133.98872	2.1
137.02663	0.7
137.69748	0.6
139.18596	0.7
141.02231	0.8
143.00061	0.9
145.01668	1.2
146.98468	1.3
146.99654	20.7
147.11703	1.2
152.00133	0.9
155.03781	2.2
157.10118	0.8
159.11726	0.8
161.01216	4.4
161.04840	1.0
165.00735	6.2
169.10214	0.7
170.01260	2.5
171.03279	1.2
175.02794	1.4
176.98952	1.4
177.02155	0.8
177.04387	0.8
179.02277	2.0
179.05878	1.1
179.10695	0.7
187.02747	0.8
189.00572	1.4
189.04395	2.6
193.03871	0.9
199.06488	0.9
203.05887	2.0
207.05318	0.9
207.07062	0.9
211.06499	0.7
225.07976	1.2
227.09451	0.9
233.08409	0.9
239.09520	0.9
241.11171	0.8
243.08971	1.0
245.08327	0.8
245.10692	1.9
248.09868	0.8
259.12213	1.0
263.09583	4.2
265.11105	1.9
277.11057	1.2
281.10611	1.0
283.12094	0.9
285.29684	0.9
286.11130	1.4
289.11053	1.0
303.12695	2.2
313.14871	1.1
315.16293	54.4
316.16595	3.3
326.14297	0.8
331.15753	3.0
333.17346	100.0
333.24152	4.8
333.31906	2.7
334.17676	4.1
349.16876	1.1
351.18442	22.9
352.18814	1.3
356.18970	34.3
357.19229	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	333.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51447	0.5
53.03938	0.5
55.01879	0.4
55.05499	1.5
57.03433	0.7
57.07071	1.1
61.02928	0.6
67.05495	2.2
69.03414	1.8
69.07056	1.2
70.06596	2.2
71.04976	1.2
71.58932	0.8
72.08160	0.6
79.05483	2.0
80.04987	0.6
81.03404	0.7
81.07064	2.1
83.04970	1.8
83.08595	0.7
84.04463	0.4
85.02891	3.0
86.09676	0.8
91.05480	2.6
93.07043	5.5
94.06567	3.1
95.04971	1.0
95.06934	0.3
95.07359	4.2
95.08596	1.7
96.08125	10.2
97.02899	1.4
97.06528	2.2
98.06049	0.8
98.98465	2.7
99.08058	1.0
103.05486	0.6
105.07029	1.6
106.06561	1.3
107.04996	0.4
107.07284	0.8
107.08588	1.8
108.08109	6.5
109.06491	0.7
109.08920	1.1
109.10159	2.6
110.09681	17.7
114.05486	0.6
118.06545	0.7
119.08574	1.6
120.08098	32.4
121.06477	1.1
121.08891	5.6
121.10191	0.9
122.09634	1.0
123.06771	0.8
123.08062	0.5
124.07590	7.7
125.05985	0.7
125.09637	0.6
126.05515	1.2
127.03915	1.2
127.11185	1.1
131.07356	0.9
131.08557	0.9
133.06488	0.9
133.10144	0.7
135.08086	0.5
135.11728	0.7
136.07587	1.8
137.05977	1.0
137.09573	0.8
138.09132	100.0
139.09464	1.1
140.07079	1.2
143.08621	0.6
145.04953	0.5
145.10141	0.7
146.09645	1.6
147.08031	0.9
147.11662	0.8
148.07573	3.7
149.08347	1.2
149.09560	0.9
150.05493	0.5
150.09135	0.7
152.07043	2.2
153.12732	2.8
155.14241	1.5
159.11726	0.6
161.09598	0.5
164.07068	0.8
166.08640	8.3
167.07097	0.5
168.06619	2.1
171.10255	0.6
171.13806	1.7
174.09143	1.5
175.11221	0.4
177.12807	0.5
178.08618	0.6
192.10168	0.7
195.13646	0.5
196.08366	0.7
196.11230	0.9
200.10760	0.6
201.12697	0.6
211.09929	0.7
214.12241	0.5
220.09854	0.5
223.07657	0.6
224.07849	4.5
224.10757	0.7
241.13458	0.6
242.11749	1.3
252.09941	0.6
259.14365	2.3
260.12854	1.1
269.12738	0.8
270.08377	1.9
270.11316	2.0
271.10925	0.6
277.15414	0.5
287.10629	1.1
287.13861	12.6
287.20313	0.6
288.12112	0.7
297.26138	0.8
305.14948	31.5
306.15564	0.6
315.09686	1.2
315.13385	4.2
315.19254	0.6
315.27280	0.6
333.11258	1.6
333.14450	22.1
333.20688	1.5
333.28265	3.5
334.14749	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1156
Annotation	Tos-Arg-CH2Cl
Peak:m/z	Relative Intensity
56.96571	5.2
61.02915	3.9
61.91666	2.0
67.05499	3.3
69.03423	8.1
69.07075	2.4
71.04996	2.8
71.28593	3.0
71.28929	3.8
72.08154	3.6
78.10010	1.8
79.05484	2.7
81.03414	4.7
81.07046	3.9
84.08154	3.2
85.02896	15.9
85.06544	3.0
85.07682	2.9
86.09702	5.7
87.10067	2.1
91.05470	4.9
93.07051	2.8
95.08600	3.5
95.39565	2.0
97.02889	10.2
98.97602	5.3
98.98471	29.7
99.08064	2.6
99.39648	2.3
101.09695	1.9
107.08623	2.7
109.10193	4.9
110.76987	1.9
115.03944	1.9
116.98625	4.8
116.99535	2.7
119.08586	3.0
123.05586	10.6
125.56637	1.9
127.03961	6.4
128.98700	2.3
129.10248	3.1
134.99683	3.0
136.06227	10.6
137.05983	6.0
145.04988	3.9
145.10106	2.8
164.83791	2.0
167.14330	2.0
171.02841	2.3
171.13768	4.7
176.98885	5.4
185.16551	2.2
189.04361	3.9
191.28098	2.3
207.05376	4.9
231.05481	3.4
234.99065	4.4
237.02808	2.6
290.99973	2.2
307.49640	2.5
315.19748	2.5
333.07846	5.4
333.11600	100.0
333.14996	8.2
333.20508	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	333.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96557	1.3
57.03424	0.8
61.02913	0.7
69.03426	2.0
70.06596	1.3
71.11359	1.0
71.11671	1.0
72.08169	0.9
79.05480	1.1
81.03391	0.8
81.07050	1.7
84.04497	0.8
84.08125	0.9
85.02891	3.3
86.09705	2.2
91.05482	1.1
93.07037	1.0
95.04977	1.1
95.08599	1.4
97.02900	1.6
98.97589	3.5
98.98472	15.1
100.98898	1.4
105.07023	1.2
107.08582	0.9
109.10184	0.9
116.98608	2.2
116.99476	0.9
121.10136	0.9
123.05528	1.1
130.45323	0.7
134.99658	1.7
135.08043	1.0
135.11754	0.7
136.04745	1.2
136.07570	1.0
137.05962	0.9
144.08130	1.7
146.99805	0.9
147.04329	1.2
158.24030	0.7
158.70561	0.8
158.99678	1.4
168.08044	0.7
171.08577	0.7
171.09975	2.9
172.07556	1.6
176.99007	1.2
177.00717	2.6
197.07080	1.4
227.08035	0.8
234.98912	1.3
237.03047	0.9
253.89258	0.7
255.72688	0.7
287.10019	0.8
297.12393	0.8
315.09750	2.8
315.13150	1.3
332.01984	0.9
333.10284	5.9
333.15201	100.0
334.09595	0.8
334.15515	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.4
55.01876	0.3
55.05512	3.6
56.05036	2.6
56.84633	0.3
57.03434	1.1
57.07067	0.7
59.05005	0.3
60.04527	3.3
65.03947	0.3
67.05170	0.5
67.05504	7.8
67.62955	0.3
68.05019	0.9
69.03413	0.7
69.07068	2.8
69.48946	2.8
70.06601	2.5
71.04987	0.9
71.57283	0.3
72.04502	0.6
72.08145	1.0
75.84384	0.3
76.11166	0.4
79.05490	3.8
80.05006	0.4
81.07057	6.8
82.06571	1.3
82.07372	0.3
83.04969	0.8
84.08128	1.2
85.02888	0.7
85.06519	0.7
86.06059	2.8
86.09691	0.9
91.05468	1.8
93.07041	5.0
94.06548	0.6
95.04977	1.0
95.08613	6.6
96.08119	2.2
97.02844	0.4
97.06505	0.5
97.10152	1.0
98.09686	0.5
98.20776	0.7
98.98474	4.6
100.07629	0.5
105.07027	1.6
107.08602	3.0
108.08104	0.6
109.06506	0.6
109.10157	3.0
111.08062	0.5
112.07645	0.4
114.09154	1.3
116.10740	0.9
117.07049	0.5
119.08569	1.4
121.06465	0.5
121.10130	1.7
123.11662	0.6
124.11217	0.3
127.03915	1.0
128.04207	0.5
129.23479	0.3
131.04866	0.4
131.08611	0.7
133.10139	1.1
134.38889	0.4
135.08057	0.7
135.11682	1.0
145.10100	0.7
146.11780	0.6
147.04333	0.3
147.11610	0.4
153.12724	0.3
154.12184	0.4
159.11346	0.6
161.09622	0.4
162.05443	0.5
165.08995	0.3
173.13271	0.6
176.98924	0.5
187.10971	0.4
202.71448	0.3
208.20613	0.5
212.20084	0.3
234.22183	1.8
251.08620	0.7
252.23212	7.3
254.21016	0.5
260.23737	1.5
266.24713	0.7
270.24280	3.7
278.24805	12.0
287.05685	0.4
296.25848	14.6
297.26239	0.5
314.12204	0.6
314.15933	0.6
314.26874	23.0
315.13287	0.5
315.27243	0.8
332.13531	1.7
332.27942	100.0
333.14145	0.6
333.21011	0.5
333.28275	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	332.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.05513	3.4
56.05051	2.2
56.28770	0.4
56.96560	0.5
57.03449	0.6
60.04527	3.2
60.77422	0.4
61.02932	0.5
62.56761	0.4
67.05172	0.7
67.05506	8.9
68.05031	1.0
69.03423	2.9
69.07078	2.7
70.06257	0.4
70.06583	3.1
70.67171	1.4
71.04992	0.4
71.56998	0.3
73.02908	0.6
74.01373	0.4
78.66053	0.4
79.05501	3.7
81.03395	1.3
81.07059	8.4
82.06575	1.1
83.04977	0.5
83.08618	1.3
84.08153	2.1
85.02905	0.7
86.06087	2.0
86.09709	0.5
91.03969	0.5
91.05483	2.8
93.07047	4.3
94.06545	1.2
95.04965	0.7
95.08601	6.2
96.08138	2.7
97.02864	0.8
98.20869	0.5
98.97548	0.5
98.98480	2.3
100.07604	0.7
105.07003	1.3
107.08585	2.7
108.08162	0.6
109.10156	2.2
110.09702	0.7
111.08089	1.6
112.07593	1.0
114.09153	1.4
119.08579	1.6
121.10124	1.6
122.09643	0.5
123.11732	0.9
124.11224	1.1
130.08629	0.9
131.00189	0.5
131.08594	0.6
133.10121	1.3
135.11691	1.2
138.12846	0.4
143.05426	0.9
145.10115	0.5
147.11688	0.5
149.01279	1.2
152.05960	0.8
154.12364	0.4
168.13792	0.4
171.06717	1.2
180.07271	3.2
193.12332	0.5
193.15901	1.8
208.20543	0.5
222.18449	0.5
234.22182	4.4
236.20213	0.7
236.82976	0.4
248.23842	0.6
250.25275	0.4
252.09334	7.5
252.23228	7.2
254.21173	0.6
260.23737	2.4
266.24570	0.7
267.09094	1.0
278.24783	17.3
279.25201	0.6
285.10165	1.3
290.77411	0.4
296.25830	21.9
297.26297	0.6
314.26907	20.6
315.27505	0.7
318.14386	0.4
332.27948	100.0
333.11880	2.8
333.20978	0.5
333.28336	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	332.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.05301	0.3
55.05512	2.9
56.05027	2.7
57.03423	0.5
60.04525	3.9
67.05498	9.2
68.05006	0.8
69.07063	2.7
69.98340	0.8
69.98754	1.4
70.06594	2.8
71.04991	0.4
71.80985	0.3
72.04505	0.9
72.08160	0.4
79.05486	4.4
80.05000	0.7
81.07053	9.1
82.06573	1.7
83.04978	0.4
83.08594	1.0
84.08120	1.4
85.02903	0.5
85.06535	0.9
86.06051	1.6
91.05491	2.2
93.07028	4.2
94.06545	1.0
95.03664	0.3
95.04941	0.6
95.08598	7.2
96.08144	2.3
97.06503	0.5
97.10145	0.5
98.09719	0.5
98.98440	1.2
100.07596	0.5
105.07002	1.2
107.08567	2.6
108.08091	0.7
109.10132	2.2
110.09664	0.8
112.07606	0.9
114.09133	1.4
117.06997	0.5
119.08539	1.1
121.10122	1.7
122.09641	0.5
123.11685	0.4
124.07577	0.8
126.09060	0.4
130.08609	0.9
131.08536	0.6
133.10127	1.1
135.11670	0.9
145.10052	0.6
149.01237	0.4
150.12811	0.4
154.12253	0.6
171.07858	0.4
202.19669	0.4
205.19856	0.4
226.21609	0.5
234.22156	4.5
235.23148	0.4
236.19885	0.4
240.19553	1.0
248.23763	0.6
251.08487	1.4
252.09445	0.7
252.23222	7.1
254.21051	0.7
260.23734	2.1
266.24692	0.6
270.24197	2.0
273.12231	0.7
278.24771	18.9
279.24994	0.5
296.25818	19.7
314.26871	21.1
315.13889	0.4
315.27191	0.5
332.27921	100.0
333.28333	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	332.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	4.0
56.96562	6.6
57.03432	4.8
61.02926	4.5
67.05507	4.8
69.03422	13.2
69.07058	6.9
70.06590	3.5
71.04982	4.1
71.60052	4.2
72.08143	9.2
73.02930	4.6
79.05473	7.7
81.03388	6.0
81.07053	7.4
82.06547	3.1
83.04970	8.1
83.06131	2.4
84.04504	26.8
84.08127	5.9
85.02905	35.9
86.09702	70.2
87.10082	4.5
90.05537	18.2
91.05489	5.1
93.07027	9.5
93.51759	2.5
95.04944	6.5
95.08588	3.8
95.12595	2.4
96.04429	2.7
96.08112	6.9
97.02896	18.7
97.06524	10.6
97.40266	2.6
98.97585	7.2
98.98464	54.0
99.04452	6.1
100.02203	2.3
102.05541	8.0
105.07019	7.2
107.04945	5.5
107.08598	7.6
108.08091	12.3
109.02859	9.0
109.06511	11.0
109.10187	4.0
110.06022	3.0
111.04433	5.4
113.06004	2.6
113.56585	2.3
116.98660	5.0
119.08573	4.4
121.02862	3.1
121.06535	4.0
122.06020	5.6
123.05550	12.7
123.08079	4.8
124.07593	17.9
125.05978	19.6
127.03931	19.8
128.04243	5.6
129.06613	7.6
131.00163	2.9
131.08551	6.2
132.95822	5.2
133.06474	2.6
133.98766	2.3
134.99615	4.2
135.04404	3.5
135.08028	7.6
136.06204	13.1
136.07588	6.7
137.05986	10.6
139.03944	5.9
141.06497	3.0
145.04941	8.3
145.10089	6.3
146.99614	2.5
147.07999	7.1
149.09624	3.4
150.05464	4.5
151.07498	3.3
152.07054	38.9
153.05460	5.9
153.09113	3.9
155.06996	3.3
157.10178	2.6
159.08014	5.7
159.09212	3.2
159.11679	3.4
163.07556	2.9
164.07079	3.7
165.09084	5.3
168.06557	8.9
170.05034	3.0
170.08131	47.2
170.11789	8.5
173.09607	10.2
174.99295	3.4
175.07585	6.5
175.11165	4.5
176.98904	5.0
177.09042	3.0
178.12302	3.7
185.16472	3.8
187.11174	5.5
191.10550	3.2
193.08662	2.7
197.12854	18.7
197.14610	4.9
201.09096	5.9
215.10617	9.5
215.13882	16.2
219.01717	4.0
219.10149	7.1
221.08029	9.1
225.12299	8.4
233.11760	8.0
235.13211	9.7
237.02768	5.4
243.13396	7.6
251.12733	5.1
261.11316	12.7
262.98416	4.6
279.12250	63.2
297.13379	33.4
314.12219	9.6
332.14011	19.1
332.17172	4.7
333.11523	100.0
333.14972	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	332.1341
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
52.44745	0.4
53.03936	0.8
55.01865	0.5
55.05499	0.6
56.96566	5.4
57.03432	1.6
61.02932	2.8
65.03935	0.9
67.05505	2.1
69.03076	0.6
69.03432	6.6
69.90985	2.1
70.06602	0.5
70.98134	0.5
71.04975	0.6
72.08154	2.2
73.02919	2.9
77.59972	0.5
79.05482	1.3
81.03426	2.2
81.05782	0.6
81.07047	1.3
84.08122	1.2
85.02903	10.6
86.09707	1.2
87.04461	1.8
88.99161	1.0
91.03933	0.8
93.05739	0.7
96.08126	1.5
97.02894	4.6
98.21510	0.4
98.97592	1.7
98.98462	4.0
99.04454	0.9
101.02354	0.5
105.45187	0.4
106.06562	5.0
107.00229	0.7
108.08117	100.0
109.02882	1.2
109.08434	1.1
110.97551	1.0
116.98634	1.5
119.01840	0.9
123.05536	1.0
123.06799	4.6
124.07592	14.6
127.03903	2.9
128.04300	0.5
128.98615	1.8
129.10243	0.7
133.03505	0.5
134.06017	11.1
134.99637	1.0
135.06320	0.4
136.06200	1.0
136.07579	14.3
140.07011	0.4
145.04926	0.7
146.99684	2.6
150.05447	0.6
152.07063	69.9
154.08636	2.0
158.11943	0.5
158.99608	0.8
165.00665	2.1
166.05034	0.5
170.05147	0.9
170.08115	9.7
171.14980	0.7
174.99124	3.7
177.00696	1.3
188.97177	0.5
189.00706	0.5
190.98656	0.9
193.00203	6.2
205.00270	1.5
211.01288	0.7
219.01707	0.8
220.04161	0.5
221.05022	0.7
223.01236	2.3
237.02817	1.4
242.07285	0.7
251.00748	1.2
251.07733	0.6
287.09769	0.7
290.97061	0.7
305.01776	0.9
305.10760	0.5
314.12332	39.0
315.12555	0.8
332.13403	76.8
333.10498	0.5
333.13998	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	332.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
55.01881	0.7
56.96559	0.9
57.03433	1.8
61.02929	3.4
65.03951	0.5
65.06139	0.4
65.66202	0.4
67.05508	1.9
69.03429	6.3
69.54998	0.6
69.55421	2.6
71.04976	0.9
71.61314	0.4
72.08141	0.4
73.02929	2.6
79.05498	1.0
81.03407	1.8
81.07025	1.0
85.02416	0.7
85.02903	8.8
87.04453	2.4
91.03956	0.8
93.05778	1.0
96.08134	0.9
97.02903	4.8
98.97591	2.1
99.04459	1.5
102.23919	0.4
106.06563	4.5
108.08115	100.0
109.02884	1.5
109.08444	0.7
116.98631	1.1
119.03468	0.4
120.91243	0.4
122.07124	0.5
123.06805	3.7
124.07588	13.5
127.03923	2.6
127.09942	0.4
128.02327	0.9
131.00143	0.6
134.06020	12.2
136.07578	15.1
141.03085	0.4
145.01663	0.5
145.04968	0.7
149.01236	0.5
149.02936	0.5
152.07063	80.6
153.07426	0.8
154.08618	1.6
156.03638	0.6
169.04494	0.7
170.05365	1.2
170.08099	14.0
170.09142	1.0
175.36810	0.4
177.00874	0.4
177.04214	0.8
178.04941	1.1
183.25465	0.4
184.05066	0.4
213.03435	0.9
213.05203	2.1
219.01805	0.5
220.04167	0.8
229.06519	0.6
235.02794	0.5
237.02859	1.0
242.07364	1.0
248.16829	0.4
251.07805	1.5
314.12329	47.9
315.12677	1.2
332.13409	93.6
332.60596	0.6
333.14026	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	331.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32853	1.0
55.05513	2.7
57.03421	1.2
57.07078	14.8
57.38572	1.1
58.92059	0.9
59.86588	0.9
67.05506	4.6
69.07073	2.4
70.06606	4.5
70.63538	3.4
71.06920	1.1
71.08635	11.5
81.03442	1.8
81.07034	5.1
83.08612	4.0
85.02901	1.3
85.10195	7.6
88.07629	6.9
89.07991	1.7
91.05495	1.5
93.07063	1.0
95.08613	9.5
97.10174	1.3
98.98470	100.0
100.98894	2.8
102.09179	1.9
106.08671	4.1
109.10157	5.0
116.99506	3.4
119.08604	2.1
121.10141	1.7
123.11662	1.5
127.03920	21.6
133.10118	1.2
137.13222	1.3
140.01057	2.2
145.10098	1.6
174.99245	3.9
176.98930	9.2
188.84390	0.9
239.23758	2.9
252.99669	1.1
257.24875	1.1
263.14969	1.0
306.49454	1.0
313.27426	9.0
313.32932	4.6
331.18921	7.0
331.22668	2.1
331.34042	69.9
352.84396	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	331.188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46039	0.7
53.46301	0.8
56.96560	1.0
57.07069	1.3
67.05500	1.5
69.03429	1.8
69.07083	0.8
70.53174	1.2
70.53571	1.7
74.34871	0.8
79.05482	0.8
81.03416	1.8
81.07066	2.0
84.95529	0.8
85.02895	1.6
85.10159	0.8
86.09701	0.8
87.04470	1.5
88.07641	0.9
91.05476	0.8
93.07047	1.8
95.08603	1.5
97.02887	1.0
97.06529	2.5
97.10147	1.0
98.21446	1.0
98.98468	77.2
100.98888	1.8
101.06057	3.7
102.06346	1.4
105.07040	1.7
107.08593	1.9
109.02880	1.5
109.10129	1.7
116.99532	3.5
119.08587	1.9
121.10149	1.4
127.03924	39.5
128.04318	1.3
129.10289	1.6
133.06476	0.8
133.10141	1.6
135.11693	0.8
140.01068	2.4
145.10165	1.6
147.08113	0.8
147.11624	0.8
151.07471	0.7
159.11772	0.8
161.09662	0.9
165.09120	0.8
171.11649	0.9
174.99236	3.6
176.98898	7.3
177.12642	0.9
183.11586	0.7
196.38428	0.8
197.13089	0.9
227.15379	0.9
239.17831	0.8
257.26651	1.6
285.18411	1.3
288.01474	1.4
304.39542	0.8
313.17923	2.1
331.18829	100.0
331.30203	7.9
332.19116	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	331.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17896	0.5
55.05498	1.1
56.05843	0.5
56.96567	0.9
57.03450	0.9
57.07071	1.2
57.62284	0.5
59.05001	0.6
67.05513	2.7
69.03429	1.0
69.07050	1.5
70.06577	0.6
70.93568	1.1
71.04977	0.5
71.08617	1.2
76.43906	0.5
79.05488	1.5
81.03379	0.9
81.07061	2.5
83.04949	0.8
83.08616	1.0
85.02915	0.7
85.06531	0.6
87.04442	0.9
88.07600	0.8
91.05495	1.1
93.07048	1.2
95.08604	1.8
97.06511	3.3
98.98468	61.7
100.98881	1.6
101.06016	3.0
102.06332	1.1
105.07031	1.7
105.93623	0.5
107.08633	1.6
109.02884	0.6
109.06533	1.1
109.10143	1.6
109.50951	0.5
116.99496	3.1
119.08594	1.3
121.10152	0.7
123.11652	0.6
127.03927	16.4
128.04288	0.8
129.10283	0.6
131.08568	1.1
133.10118	0.9
135.08008	0.6
140.01079	1.8
145.10092	0.7
157.10107	1.3
172.31032	0.5
174.99197	3.1
176.98915	6.1
177.05179	0.5
177.12759	0.5
187.05995	0.8
217.12192	0.9
229.12343	0.5
252.99670	1.2
257.26627	1.4
278.22174	0.7
285.18390	0.8
288.01398	1.2
306.79776	0.6
313.17865	2.3
331.18826	100.0
331.30060	6.6
332.19153	3.9
334.43109	0.6
349.16806	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.6
56.96555	0.9
57.02594	0.4
57.03431	0.5
61.33840	0.5
62.29394	0.4
67.05495	1.0
69.03405	0.6
69.07069	0.7
69.46745	3.1
69.47155	1.0
71.04996	0.7
79.05498	0.5
81.03397	0.8
81.07036	1.1
85.02879	0.6
91.05460	0.8
93.07063	0.8
95.08585	0.5
97.06509	0.6
98.98466	55.0
100.98880	1.1
105.07034	0.8
107.08572	0.6
108.08927	0.5
109.02934	0.5
109.10162	0.5
116.99506	3.5
119.08573	1.4
123.08097	0.7
127.03922	12.9
133.10155	0.7
140.01086	1.1
145.10132	1.0
147.11763	0.5
150.70183	0.4
156.12981	0.5
166.55957	0.4
174.99162	2.5
175.01529	0.7
175.03903	1.8
176.98917	5.0
247.09659	0.6
252.99728	0.6
254.99629	0.8
255.33459	0.6
331.18808	100.0
332.19217	3.6
349.18790	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	2.0
56.05048	1.8
65.03940	3.0
67.05489	7.3
69.03423	5.7
69.07048	2.8
69.58399	14.3
70.06568	5.6
70.62419	1.6
71.05005	4.2
71.08599	1.5
79.05489	6.9
80.31484	1.6
81.03390	4.9
81.07043	6.0
82.07332	2.2
83.04984	3.0
83.08604	2.0
85.02883	8.3
85.06544	4.2
86.09670	3.9
89.03939	1.7
91.05484	31.3
93.07013	4.0
94.04176	5.1
95.04975	7.2
95.08578	6.5
97.02876	5.0
98.21478	3.5
98.46040	1.6
98.98465	100.0
99.04468	2.1
100.98862	3.4
103.05461	7.7
105.07011	7.1
107.04923	8.1
107.08607	2.8
109.02856	2.1
109.06526	9.0
109.10145	5.1
111.08039	2.4
115.05492	1.6
116.99507	2.9
119.04951	18.3
119.08587	3.1
121.06487	7.5
121.10123	5.0
122.03658	6.7
122.05981	2.4
123.04469	3.0
123.08054	3.9
123.11665	3.0
125.05975	1.8
125.09641	1.8
127.03917	44.8
128.06210	5.0
129.06998	16.1
131.04890	8.0
131.08513	2.3
133.06477	3.1
133.10123	3.1
135.04408	1.9
135.08040	6.8
136.05209	3.2
137.05977	93.3
139.11130	1.9
140.07053	4.3
143.04948	2.5
145.06480	4.6
147.04482	2.5
149.05981	13.5
151.03900	3.6
151.07542	93.2
151.11183	3.6
152.06194	4.2
153.12622	2.3
157.06488	10.8
160.16541	1.7
161.05991	13.8
161.09650	5.5
162.05496	3.0
163.03955	3.2
163.07542	30.7
165.06969	12.3
165.09099	6.0
166.07643	2.0
167.08565	14.5
169.12285	14.0
172.03923	6.3
174.06725	6.4
174.99251	5.6
175.07541	4.8
176.98903	8.6
177.06973	3.2
177.09132	3.4
178.07819	8.2
179.08539	2.2
181.06465	4.2
181.08627	1.8
181.10152	2.2
182.07236	4.2
189.09093	37.6
190.04987	17.7
193.04951	2.3
193.06503	8.9
193.08437	2.2
193.10115	8.3
195.02882	3.1
195.08052	25.2
196.08737	2.1
197.05922	4.2
197.09711	2.4
203.08557	1.9
206.07216	3.1
207.10138	6.3
209.05972	2.4
209.09711	3.5
210.06836	8.5
211.07503	3.0
212.08287	5.6
221.06073	9.8
221.09569	11.5
223.07520	10.2
224.08258	6.9
225.08977	11.3
227.07104	2.8
227.10628	27.3
237.09106	3.1
238.06265	6.5
240.07729	4.1
243.11292	6.7
249.09116	6.7
252.07886	2.1
252.99666	2.1
253.08505	13.7
253.12224	18.3
255.06642	2.9
255.10167	30.6
266.09418	2.3
267.10458	6.7
269.08191	4.3
269.11951	2.8
271.10730	8.1
272.10449	3.8
277.23685	3.1
281.11661	8.3
285.11142	24.7
287.12799	57.0
295.24734	10.5
298.11816	1.9
299.12662	2.2
301.14340	3.1
303.13245	4.0
313.11618	9.4
313.14911	14.3
313.25604	15.0
331.12491	19.5
331.26663	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	331.1538
Annotation	Fragransol-B
Peak:m/z	Relative Intensity
53.86765	1.4
63.56963	1.3
65.03905	1.5
67.05495	2.3
70.65547	3.0
70.65928	3.3
79.05476	4.2
79.53661	1.3
81.07057	3.7
88.39507	1.5
91.05479	25.2
94.01398	1.4
94.04173	2.8
95.04969	7.1
95.08601	1.6
98.21481	1.8
98.98463	29.6
103.05438	6.1
105.07004	4.6
107.04941	6.5
109.06510	6.0
115.05443	2.1
116.99521	2.0
117.07005	2.6
119.04936	18.3
121.06507	6.2
121.65955	1.7
122.03632	5.2
127.03890	4.7
128.06224	4.7
129.07004	14.8
131.04906	6.0
135.08083	4.5
136.05151	2.6
137.05980	79.5
145.06543	3.9
146.07262	1.6
147.04390	2.7
147.08086	2.0
149.05992	13.3
150.09125	8.3
150.44960	1.3
151.03951	2.4
151.07547	100.0
151.09341	10.5
152.06169	3.0
153.07011	2.9
157.06468	14.5
160.91946	1.4
161.05988	17.2
161.09581	4.9
163.07562	23.2
165.07027	11.1
165.09094	5.6
166.07806	2.6
167.07248	2.7
167.08554	16.6
169.06511	2.8
174.06758	6.9
175.07498	3.6
176.98927	2.3
177.06923	1.5
177.09105	2.2
178.07730	7.9
179.08615	3.3
181.06445	4.4
181.10112	1.7
182.07230	4.2
188.81656	1.5
189.09109	36.9
191.08527	1.8
192.09480	2.0
193.06500	9.0
193.10156	8.9
194.07176	3.6
195.08044	27.3
196.08812	2.3
197.05933	4.5
197.09511	1.7
203.08574	2.9
205.06461	2.6
206.07393	2.7
207.08260	2.0
207.10071	7.0
209.05911	4.0
209.09537	2.9
210.06764	8.9
211.07545	3.7
212.08385	4.4
217.96494	1.9
219.08057	1.7
221.06068	9.5
221.09590	12.7
223.07481	12.6
224.08299	5.3
225.09039	9.9
227.07095	2.8
227.10658	34.0
237.09033	2.3
238.06302	7.7
238.09711	2.3
239.06964	2.8
240.07803	5.0
241.08588	2.8
241.12209	2.1
248.08279	1.7
249.09082	6.2
252.07857	3.6
253.08568	16.8
253.12253	18.8
255.06439	2.5
255.07245	2.5
255.10187	33.4
267.10059	7.7
269.08078	5.7
269.11798	2.2
272.10278	4.6
281.11774	9.8
284.10562	2.6
285.11185	21.3
287.12787	60.6
299.12830	2.3
301.14359	3.2
313.14462	19.9
313.25732	2.7
331.15646	8.6
331.26877	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	331.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01872	0.9
55.05498	0.9
57.03444	0.5
57.07074	0.7
64.38290	0.3
65.03925	1.0
67.05507	3.6
68.05021	1.5
69.03429	1.7
69.07066	5.6
70.06596	1.8
71.04980	0.5
71.08606	0.3
71.27403	0.9
72.08164	0.7
79.05491	2.1
80.05020	1.1
81.03397	0.7
81.07042	2.2
83.04964	0.6
83.06090	0.5
83.08624	0.6
84.04473	0.9
84.08139	1.3
85.02900	1.0
85.06548	0.4
86.09702	1.8
88.04028	0.4
89.03933	0.5
91.05488	1.1
93.05791	0.5
93.07036	0.8
94.06567	15.9
95.04954	2.7
95.08606	1.0
96.04495	0.8
97.02847	0.7
97.06520	1.5
98.06046	0.8
98.98464	38.9
99.08044	0.4
100.98878	0.9
101.98470	0.4
104.04945	0.4
105.07028	0.7
107.08595	0.5
108.08102	2.3
109.02876	0.4
109.06516	0.4
109.10135	0.4
110.06039	3.7
112.03923	0.4
112.07598	3.3
116.04961	2.0
116.98710	0.6
116.99446	1.7
118.06552	1.1
120.04453	1.2
120.08120	0.8
122.06030	35.4
123.04403	1.6
123.06326	0.8
123.11734	0.4
124.07631	2.4
125.09627	0.4
127.03915	12.3
128.04152	0.4
129.06598	0.7
129.10277	0.4
130.06546	1.0
131.08582	0.5
132.04437	0.5
133.10187	0.4
134.06000	1.2
136.07571	0.8
137.05962	0.6
139.73604	0.5
140.01010	0.4
140.07063	49.8
141.07928	2.6
142.08626	1.1
143.08656	0.4
144.04466	7.3
146.06007	22.4
147.04506	0.4
147.06648	0.4
148.03813	0.8
148.07565	8.7
149.09602	0.4
151.07587	0.7
151.08649	0.7
151.11163	0.5
154.08649	0.7
157.10239	0.3
162.05527	4.2
163.03917	0.7
163.07501	0.4
164.07083	0.5
165.09087	0.6
169.12163	0.5
172.03934	24.7
173.04305	0.8
174.05493	2.3
174.09543	0.6
174.99237	2.0
176.98914	4.1
189.09019	0.6
190.04990	100.0
191.05487	3.4
192.06546	11.4
195.08118	0.6
200.13998	0.8
212.10815	0.3
223.07538	0.6
228.13304	0.4
240.10158	0.5
242.11809	0.9
244.09727	0.5
252.99648	0.5
267.11371	0.6
268.09808	0.7
270.11124	0.6
285.12305	0.5
286.10822	1.8
286.24966	0.5
287.13742	0.5
295.10779	0.5
304.26126	0.5
313.11810	5.9
314.10703	0.5
331.04565	0.5
331.12943	14.4
342.74426	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.1
55.01858	2.8
56.96558	13.3
57.03421	7.7
60.33401	2.1
61.02928	12.2
69.03439	20.4
69.78893	3.7
69.79309	10.0
70.06572	4.6
71.04970	2.7
72.08150	3.6
73.02911	8.6
81.03413	8.1
81.75373	1.9
84.04506	2.5
84.08138	5.7
85.02429	2.8
85.02905	48.3
86.09697	5.2
87.04455	3.9
91.03932	5.4
97.02896	16.1
98.20841	4.6
98.97659	14.0
98.98465	66.4
99.04453	4.9
101.00882	2.5
102.67190	1.9
105.00341	2.0
108.08116	14.9
109.02879	4.9
112.89655	10.7
114.89355	4.7
116.98659	11.2
116.99393	3.7
117.01972	2.2
119.01885	9.6
127.03918	30.5
128.98586	5.0
129.10220	5.8
130.06714	2.5
131.01892	2.6
133.03450	3.1
133.06284	1.9
134.99673	2.6
137.02927	2.6
143.01889	10.3
145.03464	3.4
145.04984	8.2
146.99625	3.5
149.01242	7.1
152.07043	9.2
153.73059	2.0
155.01894	3.9
157.03488	5.3
158.99631	3.6
160.04755	6.2
160.97447	2.4
161.01241	3.8
161.02933	13.3
169.04280	2.6
169.05376	6.0
170.99770	2.3
172.95268	4.3
173.02965	6.4
174.04536	3.0
174.99252	5.0
175.02809	2.5
175.04475	2.9
176.98929	6.4
177.00677	5.6
180.97533	2.2
183.04956	2.3
185.02913	4.9
186.96750	14.1
188.97144	2.4
189.00703	3.2
191.03957	2.8
193.00143	4.2
198.98546	6.0
199.02792	3.4
199.04506	4.3
201.00694	3.8
203.04028	7.9
204.97859	8.1
217.05630	3.8
219.01714	3.7
219.07112	2.8
220.06885	3.9
221.05013	4.4
228.02118	2.8
228.05746	5.8
228.55792	2.7
228.97868	8.4
232.06839	6.3
232.90199	19.6
237.02751	5.0
241.07184	8.1
245.05089	9.4
250.07338	3.1
250.58368	2.4
258.98825	2.6
259.06512	4.5
261.03079	3.2
263.06155	4.0
271.02924	3.4
299.02570	4.8
314.12308	5.5
319.08685	8.0
331.01193	6.7
331.07867	100.0
332.13406	6.5
337.09891	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	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34706	1.0
53.03932	1.3
55.01859	3.0
55.05511	38.3
56.96557	2.8
57.03439	1.7
57.07071	1.8
59.04992	0.9
67.05505	17.4
67.83471	0.9
68.81070	1.0
69.03455	6.0
69.07072	13.2
70.61628	3.9
71.08638	8.8
71.63131	0.9
79.05497	13.2
81.03408	3.5
81.07056	17.6
83.04972	4.3
83.08141	1.7
83.08620	29.8
85.06546	3.1
87.04491	1.4
91.05473	5.7
93.07023	9.7
95.04983	2.3
95.08613	6.7
97.06525	1.7
97.10174	60.4
98.98468	82.1
99.08110	8.1
100.98910	2.4
101.05979	1.2
105.07011	5.5
107.08595	20.3
109.06515	2.5
109.10149	5.9
111.08054	1.7
116.99499	3.4
117.07005	2.0
119.08562	5.0
121.10140	4.8
124.56093	1.0
125.09631	53.5
126.10028	1.0
126.12793	3.0
127.03907	8.7
131.08568	2.4
133.10152	5.1
135.08046	4.0
135.11699	3.4
137.09618	1.5
140.01057	2.2
143.08467	1.2
143.10657	3.3
145.10117	3.7
147.11720	3.3
148.64795	1.1
149.09592	1.1
149.13174	1.1
151.11176	6.6
153.09084	3.3
157.10167	2.3
159.11639	1.2
161.09514	1.4
161.13266	4.5
163.11206	2.6
170.11842	1.9
171.10228	5.1
171.11610	1.2
173.13306	1.7
174.42458	0.9
174.99239	4.0
175.14830	1.6
175.99533	1.2
176.98907	5.2
179.14316	3.9
185.13356	1.1
189.11221	100.0
190.11609	1.7
191.11777	1.0
193.15817	1.3
199.14888	1.9
211.16876	1.3
221.15451	1.1
241.19647	2.0
259.20618	2.7
275.20181	1.3
277.21631	54.2
278.22003	1.8
295.22723	16.8
296.23087	1.3
312.25208	1.1
330.13699	1.4
330.29932	1.8
331.15701	2.5
331.22607	1.3
349.16852	7.5
350.17593	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	330.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.1
55.05513	8.2
56.96562	1.9
57.03434	5.8
57.07069	4.6
58.06607	1.6
60.04513	1.0
61.53628	0.9
67.05507	10.9
69.03442	2.4
69.07079	5.0
70.06595	6.7
71.04994	1.7
71.08641	8.8
72.08086	1.0
79.05482	4.4
81.03402	2.0
81.07064	10.6
83.04935	1.2
83.08630	6.1
85.10196	1.0
86.09702	2.2
87.04469	15.2
88.07635	10.9
91.05474	4.7
93.07043	6.0
95.04952	2.3
95.08607	7.4
97.06537	4.1
97.10181	6.4
98.98466	100.0
99.08096	5.4
100.98875	2.0
101.06016	41.0
102.09175	5.3
105.07016	4.6
106.43945	1.1
107.08584	4.4
109.06509	1.7
109.10148	6.3
116.99503	3.2
119.08563	3.9
120.63701	0.9
121.10179	2.6
123.08092	1.4
123.11682	2.4
125.09653	8.1
127.03907	13.2
129.10201	1.9
133.10141	3.9
135.11646	1.6
140.01082	3.2
143.08589	1.2
145.10129	2.2
147.11684	1.9
149.13255	1.5
151.11200	3.6
155.10681	1.2
161.13239	2.2
163.11195	1.4
173.11751	3.0
174.99231	6.9
175.99571	1.3
176.98901	8.8
179.14290	2.4
181.48473	0.9
189.11218	11.0
241.19565	1.2
252.99741	1.9
254.99280	1.3
256.26340	20.9
259.20627	1.4
270.27820	2.3
274.27252	1.3
277.21579	10.7
285.10114	1.2
287.01904	1.8
295.22729	4.1
313.18198	1.2
330.13477	1.6
330.30035	63.6
330.33325	2.7
331.18823	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.4
54.35089	0.9
55.01863	3.1
55.05304	1.1
55.05518	13.7
56.05028	1.4
56.96562	3.0
57.03436	4.5
57.07072	2.7
58.06577	1.1
59.05012	1.5
65.03949	1.6
67.05505	32.7
68.05865	1.0
69.03416	1.3
69.07073	13.4
70.06580	1.7
71.04991	3.6
71.08629	2.7
71.33363	2.0
79.05496	14.3
80.05881	1.9
81.03401	6.2
81.07062	30.6
82.07372	2.3
83.04982	7.3
83.08611	9.8
87.04468	7.8
88.07610	1.9
91.05484	11.5
92.05830	1.2
93.07055	18.0
94.07402	1.9
95.04964	6.8
95.08620	13.2
97.06521	4.2
97.10178	4.1
98.98470	100.0
99.08067	2.3
100.98923	1.8
101.05955	2.3
105.07040	9.9
106.07339	2.2
107.04953	1.7
107.08601	9.3
108.08903	1.4
109.06555	2.0
109.10170	13.2
111.08066	2.0
113.09653	1.1
116.99517	4.6
117.06990	2.1
119.08599	9.6
120.08910	2.4
121.06544	2.0
121.10165	7.7
122.24465	1.0
123.08109	1.9
123.11691	5.1
125.09665	6.1
127.03930	13.2
129.07045	1.6
131.08530	2.8
132.08865	1.7
133.10149	3.9
135.11691	3.6
137.09619	3.4
139.11211	7.1
140.01088	3.3
147.08051	2.0
147.11678	2.9
148.08394	1.6
153.12775	1.3
155.10677	4.9
157.10117	1.8
161.13286	2.9
165.12747	1.8
173.11748	17.6
173.13155	2.2
174.99252	4.8
175.11201	1.6
175.14851	2.4
176.98932	7.3
179.14206	1.5
189.11205	3.5
193.12244	3.7
194.82986	1.2
211.13312	4.6
231.21207	1.3
241.19608	1.4
252.99635	1.6
259.20636	2.0
268.29968	1.6
270.27936	2.6
274.18857	4.7
277.21619	16.6
292.19907	16.3
294.24188	1.3
295.22659	10.3
312.16406	1.7
330.13959	1.3
330.17401	1.4
330.21149	1.9
330.29971	11.7
330.33707	9.1
331.18872	10.5
331.22345	1.9
349.18582	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	330.2639
Annotation	Morusimic acid D
Peak:m/z	Relative Intensity
55.05516	2.8
56.05042	3.2
57.03443	1.7
57.58948	0.4
58.06598	0.4
60.04532	2.6
65.03923	0.7
67.05173	0.5
67.05509	7.4
68.05021	1.2
69.03423	0.6
69.07079	2.4
69.56001	1.8
69.56431	1.2
70.06591	4.6
71.04980	1.3
72.08158	0.8
74.06093	0.4
79.05492	3.4
80.05020	0.9
81.03390	0.4
81.07063	6.3
81.32461	0.3
82.06570	2.1
83.04975	0.5
83.08621	1.1
84.08136	1.5
85.06528	0.7
86.06080	1.7
86.09696	1.8
91.05490	2.4
93.07046	4.1
94.06593	2.0
95.04974	1.0
95.08609	5.3
96.08136	3.5
97.10184	0.5
98.20748	0.6
98.98472	9.9
100.07652	0.4
105.07042	2.0
106.06545	0.4
107.07363	0.7
107.08616	2.1
108.08113	1.3
108.08810	0.4
109.10162	1.7
110.09649	0.9
112.07610	0.7
114.09172	1.3
116.99631	0.4
119.08572	1.6
120.08113	0.7
121.02853	0.7
121.10153	1.6
122.09730	0.8
124.07594	0.4
124.11235	0.9
127.03920	1.7
130.08633	0.3
131.08569	0.4
133.10135	1.3
135.11674	0.9
135.48111	0.3
136.11240	0.4
142.08678	0.4
145.10110	0.6
147.11647	0.6
148.11148	0.3
150.09164	0.4
150.12772	0.4
163.45824	0.4
174.99213	0.5
176.98933	0.7
188.44896	0.3
197.58398	0.3
215.08260	0.5
224.20145	0.6
229.09727	0.5
250.21680	11.0
250.25439	0.8
251.21959	0.4
258.22113	0.4
262.21817	0.5
264.23151	2.4
266.24887	1.9
268.22775	0.5
268.26169	0.4
274.21304	0.4
276.23230	12.6
277.23663	0.4
280.22556	0.4
282.24213	0.6
284.25769	0.6
294.24292	23.9
295.24695	0.9
312.25339	34.7
313.25565	0.9
330.26401	100.0
331.12845	2.3
331.19162	0.4
331.26788	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	330.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.05499	0.2
57.03422	0.3
60.04508	0.2
61.02927	0.4
65.61830	0.2
67.05499	0.7
69.03425	1.0
69.07047	0.2
69.42587	1.5
69.43000	0.4
70.06582	0.3
73.02940	0.2
79.05492	0.8
80.05012	0.2
81.03407	0.5
81.05794	0.3
81.07047	0.6
82.06568	0.2
83.31869	0.2
85.02898	1.1
87.04433	0.2
91.05485	0.5
93.07022	0.4
94.06564	0.9
95.08573	0.5
96.08072	0.3
97.02868	0.4
98.98473	3.9
99.04465	0.2
105.07024	1.6
106.06528	0.5
107.07336	4.8
109.02955	0.2
117.05804	0.3
121.08892	0.6
122.06076	0.3
122.09660	9.1
127.03922	0.7
132.08119	0.2
133.10104	0.2
135.06793	1.8
150.09137	100.0
151.09468	1.4
166.51094	0.2
168.06586	0.2
168.10210	5.4
210.36789	0.2
225.10428	0.3
250.21649	0.6
264.23294	0.2
276.23218	0.7
294.24240	1.6
312.25266	1.6
313.11996	0.4
330.15417	0.7
330.26389	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	330.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.2
55.01861	1.1
55.05507	1.8
56.96564	1.3
57.03424	1.2
59.04940	0.8
60.04524	1.2
61.02913	1.6
65.03945	0.9
66.97459	0.7
67.05493	2.6
69.03422	6.7
69.07043	2.5
70.06591	5.0
71.04987	1.0
71.60683	1.8
72.08163	5.6
73.02925	0.9
74.06052	1.1
79.05491	3.4
81.03413	3.9
81.07039	5.0
83.06081	1.0
84.04512	1.9
84.08157	3.7
85.02910	13.4
86.06083	1.0
86.09712	10.1
87.04485	1.7
91.04977	1.4
91.05494	17.5
92.05823	4.2
93.07033	3.1
94.06544	1.8
95.04964	1.8
95.08575	2.4
96.08126	1.4
97.02900	5.2
98.98470	100.0
99.04430	1.7
100.98896	1.5
103.05480	0.9
105.07039	4.6
106.06531	1.5
107.04968	9.1
107.08582	2.6
108.08127	1.6
108.08906	0.9
109.02878	1.9
109.06532	1.6
109.10178	1.4
112.07593	1.1
116.98624	1.3
116.99503	4.3
117.05771	1.1
119.04929	5.0
119.08589	1.2
120.05223	3.9
120.08127	6.9
121.06504	2.2
121.08440	1.3
122.06019	2.8
122.09671	6.1
123.08161	0.9
123.67195	0.9
127.03927	12.6
129.06593	1.2
132.08104	8.3
133.06488	2.3
134.06012	0.9
136.07587	27.8
137.06081	4.2
137.07939	22.0
138.06320	1.4
140.01082	1.8
140.07034	4.2
145.04947	1.7
146.05988	2.2
149.05901	0.8
150.06380	0.9
150.09152	27.6
151.07555	4.2
156.08429	1.0
157.06783	1.1
161.05898	0.8
162.05522	7.8
163.06252	1.1
163.07565	1.3
166.08612	1.8
167.09013	1.8
168.10213	67.0
169.04982	0.8
169.10619	1.1
172.04007	1.2
174.09435	1.1
174.99242	5.8
175.99620	1.2
176.98901	7.7
185.16481	2.9
190.04996	4.9
195.07925	1.5
213.15956	2.4
236.20157	1.2
254.99509	1.1
269.08163	0.9
294.24323	1.3
305.19791	0.9
312.25275	2.9
313.08749	0.9
313.11801	4.5
315.08618	2.0
330.11453	1.7
330.15619	17.8
330.22345	1.5
330.26370	11.6
331.12958	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	330.0965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01863	1.2
55.05501	1.1
56.05032	1.5
56.96570	7.8
57.03432	2.6
61.02922	5.0
67.05492	1.5
67.88513	0.9
69.03432	11.5
69.07067	1.5
69.82714	6.0
70.06596	13.4
71.04980	2.1
72.08136	2.4
73.02907	1.9
74.06101	2.1
79.05518	1.6
81.03425	6.5
81.07047	1.0
84.04510	2.3
84.08147	2.8
85.02908	35.3
86.03241	1.6
86.09714	7.9
87.04460	3.0
91.03932	2.6
91.05489	2.2
94.06541	1.3
97.02905	14.5
97.10164	1.1
98.97585	9.9
98.98470	100.0
99.04434	3.0
100.11261	1.8
100.98873	1.9
101.07124	1.5
107.04974	1.5
107.08617	1.1
109.02868	3.3
109.06532	1.6
110.97556	1.1
116.07089	8.3
116.98619	9.9
116.99506	5.8
119.04943	2.0
120.08117	5.7
121.08436	4.0
123.04456	1.7
127.03910	13.9
128.98639	2.0
129.10281	1.5
131.00156	1.2
134.99641	4.5
135.04404	3.4
136.07582	1.8
137.06003	1.0
145.04999	5.3
146.99667	3.4
147.04434	6.2
150.05528	1.2
150.09084	1.2
152.07097	1.2
158.99628	1.7
159.98883	1.0
161.01231	3.5
165.05467	1.7
168.06580	2.6
168.10239	3.2
174.99232	6.4
175.99574	1.6
176.98943	8.6
177.00717	4.3
187.14471	4.7
189.04324	1.4
195.03325	1.7
199.10841	1.3
207.05347	1.2
213.04468	3.8
213.52075	0.9
215.13937	2.5
219.01802	4.3
227.17717	1.6
231.05418	1.5
237.02824	8.4
239.02255	6.2
248.07341	1.9
249.06781	2.0
252.99710	2.0
257.03342	4.2
265.78058	1.1
330.12393	10.1
330.26273	2.3
331.13098	1.5
351.09607	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	329.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	0.8
56.96570	0.9
64.19765	0.3
65.03932	0.8
67.05511	1.3
68.05042	1.9
69.03427	0.4
69.07063	1.3
70.06566	0.3
70.30290	1.5
71.04987	0.5
79.05492	2.9
81.05802	1.2
81.07050	3.3
83.04974	0.5
85.02911	0.4
86.99079	0.4
89.03913	0.5
91.05483	1.1
93.07059	1.0
95.04986	0.6
95.08607	1.9
96.04482	0.7
96.08131	4.6
97.06548	1.9
98.98466	100.0
100.98888	0.8
105.00170	0.4
105.07034	1.2
107.04983	0.6
107.08598	1.4
109.06516	0.8
109.10171	1.1
110.06038	1.2
116.04976	5.0
116.99492	5.0
118.06516	0.5
119.08592	1.4
121.06469	0.4
121.10170	0.7
123.08067	0.4
123.11693	0.7
124.07591	63.9
125.08376	1.3
125.09592	0.5
131.08546	0.4
133.06531	0.5
133.10146	0.9
134.06042	0.6
134.16756	0.4
137.06024	1.1
137.13300	0.6
138.09125	0.7
140.01085	1.1
144.04437	9.9
145.10143	0.4
146.06007	8.3
146.07091	0.6
147.11702	0.6
148.07552	0.5
155.08650	0.4
161.05997	0.4
161.09593	0.9
162.05522	6.3
163.06244	0.3
163.11192	0.4
170.32863	0.3
172.03931	47.6
173.04338	1.0
174.05489	3.2
174.99222	9.7
175.00691	0.8
176.98923	4.6
178.08597	0.6
185.09576	0.4
187.07526	0.4
190.04892	0.8
192.06583	0.5
204.06560	83.1
205.07024	2.2
206.08125	16.3
206.71170	0.4
208.05235	0.5
212.08340	0.8
213.12650	0.4
233.08107	0.5
237.32164	0.3
241.12239	1.0
250.99924	1.3
251.02304	0.4
252.99741	1.9
257.65149	0.4
269.13022	0.6
285.11227	1.3
297.12634	1.0
311.13306	1.8
313.92215	0.4
315.08978	0.6
315.13400	4.6
329.11276	0.4
329.14792	4.6
329.20969	0.9
330.11102	0.4
347.08148	0.6
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
53.03948	1.1
53.11941	0.5
55.01861	1.3
55.05511	8.0
56.05040	0.6
56.96557	1.1
57.03421	2.2
57.07054	0.8
59.04968	0.5
67.05508	18.8
68.82190	0.7
69.03428	1.3
69.07065	13.2
69.41766	0.8
69.42176	4.0
71.04984	1.6
79.05053	0.9
79.05493	10.6
81.03412	2.0
81.07057	24.1
81.24586	0.4
83.04976	3.1
83.08619	5.1
85.06542	2.1
91.05482	10.1
93.06470	0.8
93.07044	12.4
93.54463	0.5
94.35397	0.5
95.04977	4.2
95.08605	11.1
97.06538	4.1
97.10146	2.6
98.09709	1.7
98.98466	100.0
99.04442	0.7
99.08066	0.8
100.98869	0.6
105.07035	10.3
107.04908	1.4
107.08595	9.6
109.06531	3.3
109.10160	3.8
111.08082	1.9
116.99510	4.3
117.06283	0.5
117.07028	2.2
119.08583	8.5
119.09356	0.8
121.06540	1.2
121.10145	5.5
122.03654	0.8
123.08045	3.5
123.11691	2.5
125.09615	2.8
129.07042	0.6
131.08578	4.0
133.10129	8.3
135.08115	1.7
135.11691	6.6
137.05988	7.7
137.09637	1.5
140.01093	2.3
143.08545	0.7
145.10115	4.0
147.08067	0.6
147.11684	6.5
149.09618	2.5
149.13297	2.3
151.11169	1.1
157.10089	1.6
159.11690	3.5
161.13280	1.7
163.11145	2.9
165.12846	1.0
169.10181	0.8
171.11710	0.8
173.11813	0.9
173.13289	2.2
174.99232	12.0
175.11124	0.6
175.99536	1.1
176.98920	5.2
177.12740	1.6
181.12247	6.1
183.11792	0.6
185.13243	0.9
189.09669	0.6
189.11189	3.3
190.95432	0.9
193.12225	0.9
195.13795	5.8
197.13315	0.7
199.13298	1.3
207.13820	0.7
208.96324	0.5
209.80144	0.5
212.16420	0.6
213.14799	0.7
215.18330	0.7
217.76331	0.5
229.19514	0.8
232.96568	0.8
234.17377	0.6
235.16927	0.6
247.20465	0.7
249.18594	0.9
250.97528	1.0
251.00041	1.5
252.99805	2.0
257.19043	2.2
265.21347	0.5
275.20087	15.0
285.10272	1.2
293.21167	2.7
328.15472	1.0
328.18771	3.6
328.35785	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03957	1.0
54.49672	0.7
55.01871	1.2
55.05511	8.1
56.96562	1.3
57.03440	1.7
59.05006	0.8
63.69052	0.6
67.05503	15.4
69.03424	1.6
69.07071	4.9
70.00554	0.7
70.05577	0.7
71.04978	1.3
71.31464	1.8
79.05054	1.3
79.05496	17.3
81.03410	1.9
81.07056	12.2
83.04964	2.6
83.08629	5.6
84.97129	0.6
85.06545	1.0
88.07112	0.7
91.05475	9.0
93.07048	11.9
93.74407	0.7
95.04971	5.3
95.08603	8.8
97.02909	0.7
97.06517	1.4
97.10174	7.0
98.20821	0.8
98.98467	100.0
105.07029	7.1
107.04916	0.8
107.08590	7.9
109.06531	1.1
109.10150	6.7
111.08067	1.5
115.05386	0.8
116.99493	4.6
117.07034	1.6
119.08573	6.9
121.10143	9.4
123.08083	0.7
123.11700	0.8
125.09612	4.7
127.93045	0.7
131.08560	3.0
133.10120	4.8
135.08070	1.3
135.11674	2.0
137.09616	3.5
139.11189	1.1
140.01102	1.5
145.10135	2.2
147.11691	2.8
149.09648	1.6
153.09082	1.0
155.10709	1.4
157.10091	1.1
157.90465	0.7
159.11700	2.0
161.13298	1.5
171.11662	0.8
173.11761	6.8
173.13181	1.2
174.99254	9.8
175.00700	1.1
176.98891	4.3
177.12714	0.7
179.14323	0.8
189.11186	4.9
190.95387	2.5
197.13191	0.6
203.07454	0.6
204.33388	0.7
208.96536	1.2
229.07480	1.0
232.96556	2.3
250.97499	2.4
251.00044	1.3
252.99693	2.5
255.09010	1.1
257.19077	1.2
273.10001	1.0
274.10449	0.8
275.20032	7.3
280.95010	0.9
285.10123	1.0
293.21179	1.4
329.11115	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	0.4
55.01862	0.7
55.05516	6.0
56.96576	1.1
57.03419	0.5
58.06586	0.4
67.05504	2.7
69.03419	0.7
69.07056	1.5
70.06484	2.2
72.52576	0.4
79.05507	3.5
81.07066	2.6
83.08618	4.8
89.06024	0.5
91.05484	1.4
93.07038	1.8
95.04996	0.5
95.08598	0.7
97.06503	1.0
97.10176	9.0
98.98466	100.0
100.98891	0.4
105.07012	2.5
107.08599	9.9
109.06525	0.6
109.10172	1.1
116.98723	0.8
116.99509	4.7
117.07023	0.4
119.08601	1.1
121.10143	0.9
125.09630	7.5
131.08589	0.6
133.10150	1.2
135.08018	0.6
140.01064	2.6
145.10097	0.7
147.11719	1.2
149.09683	0.7
159.11687	0.6
161.13269	0.6
165.29332	0.4
171.10233	0.6
172.94318	0.7
174.99234	12.0
175.99590	0.7
176.98924	5.5
189.11226	12.3
189.12915	0.8
190.95436	1.9
208.96437	1.3
225.79182	0.4
232.96507	2.5
250.97609	0.9
251.00064	0.6
252.00435	0.5
252.99829	2.0
257.19162	1.4
273.99103	0.5
275.20059	9.2
285.10187	1.4
293.21161	1.3
329.17276	6.7
329.20969	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1604
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50694	0.5
56.31691	0.5
56.96585	0.6
57.03440	2.5
60.32039	0.5
61.02922	1.5
69.03412	1.6
70.60635	1.7
71.04997	8.6
77.01620	0.6
81.03411	0.9
85.02909	7.5
89.06036	53.1
90.06435	0.5
97.02905	2.6
98.98470	100.0
99.04449	5.9
100.98889	0.9
109.02877	0.7
113.06021	1.0
116.99511	4.4
117.05520	3.3
127.03902	1.6
131.07037	6.9
134.99631	0.5
140.01080	1.1
144.14891	0.5
145.04977	1.5
149.08101	37.1
166.08661	2.1
174.99248	11.0
175.00671	0.8
175.99669	0.8
176.98904	4.8
184.04994	0.8
187.10480	0.5
251.00081	1.2
252.99818	1.9
328.14044	0.5
329.12079	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	328.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	0.6
55.05530	0.7
57.01618	0.5
57.03431	1.5
59.04999	19.2
61.02919	1.4
69.03438	3.4
69.04613	0.7
70.06586	1.8
70.72126	1.1
70.72474	1.3
71.05006	0.6
72.08154	2.6
73.02930	0.8
73.06552	100.0
74.06884	1.6
79.05496	0.8
81.03416	1.8
81.07038	0.9
85.02898	9.2
86.09708	4.3
89.06012	1.0
91.03960	0.7
91.05470	1.4
93.07035	1.6
97.02895	2.3
98.98463	70.0
99.04459	1.2
103.05471	2.1
105.07042	1.5
109.02880	1.1
109.06520	0.6
116.07104	3.4
116.98685	0.9
116.99501	2.6
117.09146	4.7
120.08112	7.1
121.10162	0.6
127.03940	2.1
131.10661	9.1
133.06487	1.4
133.10164	1.0
136.07579	0.6
137.05975	0.7
145.04970	1.2
147.04388	0.7
148.07565	25.6
149.07936	1.1
149.11725	45.6
150.09087	3.0
150.12102	0.8
161.09624	1.0
166.08636	13.0
174.99232	8.1
176.98918	2.6
177.00537	0.6
185.16487	1.2
189.09258	0.8
191.05650	0.6
213.15977	1.5
250.99998	0.9
252.99823	1.1
283.17645	1.2
328.13916	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	328.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.8
56.96577	0.5
57.03431	0.8
59.06119	0.6
61.02918	1.3
67.05503	0.6
69.03423	2.8
69.07058	0.6
70.06591	1.8
71.05006	0.5
71.29874	0.8
72.08152	1.3
73.02921	0.8
79.05487	0.8
79.52324	0.4
81.03423	1.4
81.07050	0.7
84.04483	0.4
84.08117	0.6
85.02423	0.5
85.02907	5.8
86.09709	3.3
87.04447	0.6
91.03957	0.5
91.05470	0.9
93.07040	1.6
94.06552	1.0
95.04963	0.3
95.07362	1.2
96.08123	2.7
97.02914	1.8
97.06483	0.5
98.98467	100.0
99.04482	0.5
100.98877	0.6
101.07130	0.6
103.03969	0.5
105.07027	1.9
106.06550	0.6
107.07343	1.5
108.04485	0.4
108.08155	1.7
110.06019	0.8
110.09679	3.8
116.07090	2.3
116.98710	0.5
116.99499	5.8
119.07309	0.4
120.08110	4.3
121.06513	0.9
122.06015	0.4
122.09675	3.1
122.50255	0.3
127.03918	1.7
133.10130	0.4
134.99669	0.4
136.07587	1.4
137.06017	0.5
137.08350	1.2
138.05518	0.3
138.09149	5.8
140.01079	1.3
143.08531	0.4
145.04988	1.2
148.07578	3.1
150.09148	11.6
159.97568	0.3
161.09637	0.5
162.05717	0.8
163.03972	0.4
164.07065	0.6
166.08641	42.8
167.06795	0.5
167.09018	0.9
168.10226	2.8
168.11542	0.4
174.99234	11.8
175.00668	0.7
175.99544	0.7
176.98927	5.7
178.08667	0.4
180.10205	0.6
184.61797	0.3
185.16542	0.7
189.00682	0.3
189.09276	0.4
192.06117	0.3
193.50352	0.3
208.09737	1.4
213.15991	0.7
237.02898	0.5
250.10692	0.4
250.97650	0.4
251.00093	1.4
252.99733	2.4
282.13483	0.5
328.14188	1.6
328.21234	0.4
329.12027	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	328.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25113	0.4
55.01876	0.6
55.05508	1.5
56.96561	6.5
57.03437	1.2
61.02926	2.2
63.62917	0.4
67.05498	5.2
69.03419	1.6
69.07061	0.5
70.10859	0.4
71.59817	1.0
73.02918	2.1
79.05490	1.0
81.03425	1.0
81.07051	1.3
83.04981	0.6
83.08599	0.8
85.02901	2.7
88.39622	0.4
88.44288	0.5
91.03949	1.3
91.05467	1.1
93.07042	1.5
95.04955	0.7
95.08608	1.0
97.02883	2.3
97.06544	0.9
98.98466	100.0
99.04441	0.6
101.02390	1.2
105.07011	0.8
107.08578	1.2
109.02891	0.7
109.06480	0.5
109.10167	4.9
111.08104	0.5
116.71437	0.4
116.98627	1.2
116.99510	4.5
119.08574	1.0
121.10143	0.5
123.08025	0.5
127.03899	1.3
131.08569	0.5
135.11678	0.5
140.01097	2.0
145.10130	0.8
149.09615	0.5
149.52666	0.5
155.10570	0.6
158.15430	0.5
163.11235	1.1
171.03287	0.5
172.94356	0.7
173.11739	2.2
174.99225	11.2
175.99609	0.9
176.98930	4.3
183.06567	0.7
185.04883	0.5
190.95428	1.9
199.06456	1.7
201.07906	1.6
203.05894	0.8
208.96518	1.9
209.11746	0.8
211.06462	1.2
213.97066	0.5
217.07462	3.7
219.09004	0.6
222.08195	0.6
227.12814	0.6
229.07489	12.6
229.14331	2.7
230.07831	1.3
232.96413	1.0
247.06033	0.7
247.08568	11.9
247.10867	0.9
248.08865	0.9
250.45204	0.4
250.97519	1.7
251.00067	1.1
252.09111	2.9
252.99832	1.7
255.09021	3.3
265.07544	1.4
270.10175	2.0
273.10202	1.9
283.08554	5.4
283.15350	3.7
285.10199	0.6
301.09573	6.0
306.10107	1.2
324.11087	0.8
328.13632	2.0
328.26389	0.9
328.63431	0.7
342.37756	0.6
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
50.01224	0.7
54.10548	0.6
55.01874	0.9
55.05506	3.5
57.07075	1.7
60.50388	0.7
65.03944	0.6
67.05497	6.5
69.07081	4.0
69.83724	1.4
69.84142	3.5
70.71307	0.6
71.05003	0.9
79.05501	4.7
81.03427	1.3
81.07056	7.3
83.05005	0.9
83.08600	2.0
85.10159	1.0
91.05470	6.4
93.07037	13.0
95.04971	13.7
95.08608	9.5
97.06529	2.9
97.10167	1.0
98.98469	100.0
105.07032	11.6
107.08602	9.1
109.06509	1.7
109.10168	5.4
113.97298	0.6
115.05467	0.9
116.99493	4.0
117.07023	2.4
119.08582	9.6
121.06507	2.7
121.10149	5.5
122.80688	0.7
123.08059	1.9
123.11726	1.6
129.07028	1.7
130.07814	0.8
131.08528	4.0
133.10132	7.9
135.08064	1.3
135.11678	2.2
137.09579	0.8
140.01132	1.3
142.07806	1.6
142.25806	0.8
142.42558	0.7
143.08585	3.3
144.09387	1.0
145.06477	1.0
145.10127	6.8
147.11664	2.0
148.91113	0.7
149.09589	1.6
151.11275	0.8
153.06975	1.3
155.08528	1.7
156.09387	1.2
157.10130	5.3
158.10944	0.7
159.08049	0.9
159.11705	6.0
161.09669	2.0
161.13307	1.5
163.11234	0.7
165.12723	1.2
169.10138	2.9
171.11732	2.3
173.09656	0.9
173.13318	2.4
174.99231	14.1
175.00674	1.1
175.14879	3.4
183.11711	1.7
185.13377	1.5
187.11176	1.1
187.14809	2.3
191.14307	0.8
193.10191	0.8
196.12418	1.0
197.13271	2.4
199.14845	1.4
201.16402	0.8
205.15820	0.9
209.13286	1.7
211.14879	1.6
213.16327	0.9
215.14326	0.7
217.15831	0.8
221.13211	1.2
225.16402	1.1
235.14990	1.0
251.00076	2.9
277.21677	2.8
295.22696	9.4
297.39355	0.8
309.22049	1.3
313.88309	0.8
327.07813	3.4
327.23242	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	327.2319
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.05507	1.5
57.07063	0.4
57.87349	0.4
60.15007	0.4
60.15348	0.4
67.05505	2.7
69.03439	0.4
69.07060	0.8
70.66319	0.7
70.66675	1.0
71.04979	0.5
72.30396	0.4
77.01612	0.5
79.05498	1.2
81.03426	0.7
81.07071	2.2
83.08641	0.4
91.05494	2.7
93.07051	5.3
95.04974	7.6
95.08591	3.9
97.06525	2.0
97.10182	0.5
98.98470	100.0
105.03368	0.4
105.04531	0.6
105.07041	4.0
105.66869	0.4
107.08608	2.8
109.06532	0.6
109.10162	1.5
116.99500	4.9
117.07032	1.3
119.08588	4.3
121.06522	1.1
121.10141	2.7
121.10896	0.4
123.08071	0.8
123.11674	0.8
129.07053	0.5
130.07835	0.5
131.08572	1.8
133.06519	0.5
133.10144	3.2
135.08046	1.1
135.11699	1.2
137.09544	0.4
140.01064	2.4
142.07780	1.2
143.08566	1.6
145.10110	2.8
147.08093	0.4
147.11667	0.6
149.09720	0.9
152.06183	3.7
153.07025	3.3
155.08546	0.4
156.09361	0.4
157.10150	2.1
159.11713	3.0
161.09625	1.0
161.13280	0.4
163.11163	0.4
168.05753	1.2
168.09502	0.4
169.06435	0.4
169.10150	1.1
171.08098	0.4
171.11725	1.1
173.13286	1.0
174.99232	16.8
175.14865	1.5
175.99503	0.6
181.10162	0.7
183.11690	1.0
185.13245	0.5
187.11208	1.1
187.14842	0.8
189.16331	0.5
201.16423	0.6
201.52963	0.4
209.13315	0.6
211.14815	0.6
213.16338	0.5
215.02512	0.8
223.15074	0.4
228.09373	1.1
232.96454	0.6
233.03612	4.0
250.99968	3.7
251.04529	2.2
252.05011	0.4
309.22241	0.8
327.07809	16.7
327.23001	1.9
328.08047	2.5
346.56183	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.0
55.01871	4.0
55.05510	12.1
57.03419	3.0
57.07076	7.2
62.55477	2.0
65.03954	3.9
67.05507	29.0
69.03424	3.2
69.07066	17.7
70.48658	2.0
79.05504	20.1
79.60175	1.9
81.03417	4.5
81.07056	37.6
83.05011	4.1
83.08620	7.4
83.93429	1.8
85.06560	4.0
91.05479	32.9
93.07045	77.4
93.36861	2.2
95.04972	82.9
95.08607	64.0
95.09222	2.0
97.06527	19.0
98.98468	100.0
105.07036	59.2
107.08597	38.4
109.06515	14.7
109.10161	25.1
111.08013	2.2
115.05440	3.9
116.99497	2.5
117.07020	16.9
119.08582	65.3
121.06516	15.2
121.10146	34.6
123.08047	14.3
123.11707	6.5
128.06238	4.1
129.06995	10.7
130.07829	5.8
131.08585	29.4
133.06497	2.0
133.10123	49.4
135.08073	11.9
135.11708	13.0
137.09633	6.6
142.07782	13.0
143.08577	22.5
144.09340	6.5
145.06564	2.7
145.10124	41.9
146.07181	2.9
147.08035	6.3
147.11676	14.9
149.09642	6.7
149.13268	3.7
151.11259	2.4
153.07028	2.2
155.08574	8.3
156.09357	5.3
157.10124	35.8
157.11302	2.8
158.10902	5.2
159.08063	4.6
159.11705	43.5
160.12367	2.1
161.09634	14.5
161.13278	5.5
163.11162	4.0
163.14880	3.4
168.09380	3.0
169.10156	14.3
170.10939	5.5
171.08110	1.9
171.11676	18.4
173.09698	3.9
173.13266	21.3
174.99283	12.6
175.11197	4.2
175.14847	27.4
179.08577	3.5
181.10158	3.9
183.11682	10.0
184.12401	3.7
185.13297	10.3
187.11227	7.6
187.14842	15.2
189.12704	2.0
189.16406	5.3
193.10201	3.8
194.10991	3.1
195.11693	6.7
196.12553	4.1
197.13239	11.2
199.14867	9.8
201.12650	1.9
201.16371	5.3
205.10248	2.2
205.15814	4.6
207.11684	4.6
208.12523	2.0
209.13306	7.9
210.13959	2.4
211.11317	3.1
211.14816	9.2
213.16374	5.9
215.14420	5.5
217.15894	7.1
223.14830	4.2
225.16383	5.9
227.14423	2.5
229.15837	3.5
229.51312	2.5
235.14876	7.3
237.16331	4.1
239.18126	2.3
249.16241	3.1
251.00101	3.9
253.15868	4.2
253.19336	3.2
271.20660	3.4
291.21143	4.9
309.22177	7.7
327.07867	2.6
327.23218	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	327.2165
Annotation	Albocycline M-6
Peak:m/z	Relative Intensity
50.38961	2.0
55.01867	5.1
55.05510	33.6
57.03433	2.8
67.05506	18.6
69.03422	4.0
69.07070	13.0
69.47531	17.5
79.05496	21.8
81.03423	9.6
81.07060	39.4
83.04989	8.4
83.08611	19.6
85.02911	3.2
91.05482	8.2
93.07068	11.4
95.04974	5.8
95.08611	14.3
97.06548	4.6
97.10168	36.1
98.98468	100.0
99.08119	4.9
105.07039	9.3
107.04994	3.7
107.08588	18.3
109.10147	5.5
111.04451	5.8
111.08105	4.6
116.99447	2.7
117.07064	2.6
119.08584	10.8
121.10152	4.5
123.08080	21.7
125.09633	32.6
131.08560	3.9
135.08043	6.2
135.11743	3.4
137.09605	4.9
139.11209	4.6
143.10631	2.8
145.10118	5.7
147.08112	3.0
147.11714	3.1
149.09624	3.2
153.09062	2.6
153.12799	2.6
157.10144	2.5
159.11694	3.7
163.11221	10.5
165.09084	4.6
171.10197	4.9
174.99197	17.6
175.11211	2.7
184.33702	1.8
189.11218	44.0
191.10684	3.2
193.12277	5.3
211.13368	5.7
223.13277	2.5
227.12750	4.4
238.11151	1.9
245.18834	2.1
247.20734	2.3
251.00056	2.7
273.18469	11.4
291.19522	69.5
292.19864	4.1
309.20587	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	326.2325
Annotation	Tumonoic acid E
Peak:m/z	Relative Intensity
53.03937	0.9
55.01870	0.8
55.05509	2.4
56.05006	0.5
56.96569	0.4
57.07072	2.1
67.05491	5.3
69.03432	0.9
69.07065	11.1
69.63625	1.3
69.64049	2.0
71.04971	0.9
79.05490	17.8
81.03404	0.6
81.07053	13.9
82.07365	0.5
83.04973	1.7
83.08607	1.4
86.09700	100.0
87.10027	1.0
91.05476	5.8
93.07037	30.3
94.07378	0.7
95.04960	3.3
95.08597	6.7
97.06533	3.9
97.10163	0.8
98.06870	0.5
98.98459	56.1
105.07019	3.9
107.04940	0.9
107.08588	15.2
109.06504	1.9
109.10153	1.5
111.08086	0.6
115.67898	0.4
116.98762	0.5
116.99468	2.6
117.07017	2.6
119.08583	2.6
121.06492	0.6
121.10143	4.1
123.08067	1.0
123.11697	0.5
125.05999	1.0
125.09640	0.5
128.10727	2.7
131.08577	1.9
132.10194	56.7
133.10086	5.4
135.08090	3.0
135.11679	20.3
136.12050	0.5
139.11128	0.5
140.01056	0.4
149.13251	18.3
150.13666	0.6
151.11179	2.0
151.14784	2.2
153.12738	2.2
156.10201	0.7
159.11742	2.4
174.99222	9.4
177.12733	11.2
192.13850	1.3
192.86089	0.5
195.13818	1.2
208.17108	1.5
220.65689	0.4
238.14375	0.8
251.00090	1.7
254.17520	6.8
262.21649	17.0
262.24445	0.9
263.22110	0.7
280.22769	2.4
290.18192	0.5
290.21237	1.1
308.22177	42.4
309.22397	2.3
326.23300	9.5
326.27017	0.5
327.23389	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	325.2735
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
50.82388	1.6
53.03964	2.5
55.01868	2.6
55.05505	22.0
55.64917	1.6
57.03439	2.7
57.07058	5.3
67.05503	20.2
69.03418	4.9
69.07066	100.0
69.36926	17.4
71.04994	4.6
75.72122	1.6
79.05498	10.4
81.07053	70.6
81.16405	1.5
82.07366	1.9
83.05000	9.6
83.08601	12.7
83.14079	1.5
85.06525	7.9
89.39258	1.6
91.05466	7.0
93.07051	25.3
95.05003	3.1
95.08604	57.4
97.06535	9.3
97.10162	6.8
99.08083	8.9
101.06035	1.6
105.07024	22.0
107.08586	25.4
109.06513	5.9
109.10146	38.4
111.08083	19.7
111.11717	22.0
119.08560	12.7
121.10130	19.4
123.08068	2.1
123.11713	28.4
125.09631	5.7
127.03886	6.0
127.11179	3.2
131.08583	8.5
133.10155	9.0
135.11691	13.1
137.09607	3.2
137.13254	12.9
139.11168	21.3
141.12741	1.9
142.07823	2.7
144.09351	2.4
145.10150	5.4
147.11658	8.9
149.13239	10.1
151.11203	6.6
151.14848	5.0
153.12752	11.2
155.10661	2.2
155.49348	1.8
157.10152	5.1
157.12173	2.8
159.11696	9.0
161.09593	2.1
161.13255	5.2
163.11218	2.9
163.14815	3.8
165.12778	4.9
167.14407	2.0
169.12219	4.2
173.13243	2.1
175.11246	6.0
179.14372	3.2
181.12192	6.4
185.09607	5.6
189.16347	2.8
191.17903	2.2
201.16498	2.3
203.10696	14.2
215.17818	2.4
219.17281	1.7
221.11711	6.1
263.08856	1.7
271.24240	2.4
277.25266	3.9
289.25198	13.1
293.04462	1.7
295.26428	4.9
307.26328	52.2
325.27319	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	325.2737
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
51.02383	1.6
51.69146	1.6
53.03946	4.5
55.01862	2.2
55.05264	2.5
55.05511	25.5
57.03436	4.9
57.07080	12.3
59.05004	3.5
61.02914	2.1
62.59145	1.6
67.05505	36.7
68.05817	2.7
69.03425	5.0
69.06718	3.3
69.07070	46.3
70.07397	3.2
71.04992	19.0
71.08637	4.3
79.05500	25.6
81.03411	2.7
81.07063	100.0
82.07391	6.6
83.04979	8.6
83.08630	20.5
85.02917	5.3
85.06536	8.6
85.10243	1.9
86.09686	4.9
91.05469	14.1
93.07050	53.7
94.07354	3.2
95.04963	14.4
95.08611	96.3
96.08942	4.9
97.02899	3.1
97.06528	16.6
97.10165	12.3
99.08084	7.5
105.07034	20.4
107.08598	43.7
108.08975	4.0
109.06516	5.1
109.10159	69.3
110.10492	7.1
111.08077	12.7
111.11716	7.8
117.06990	4.4
119.08598	17.6
120.08097	5.5
121.06501	2.0
121.09312	3.3
121.10149	39.8
122.10459	3.9
123.08112	5.6
123.10835	4.9
123.11707	42.3
124.12057	2.8
125.09625	4.7
125.13277	3.4
127.11174	8.9
129.07005	2.1
129.12778	1.8
131.08585	4.8
133.10144	26.0
135.11694	29.2
137.09648	5.3
137.12361	2.5
137.13246	13.7
138.98582	1.8
139.11188	5.9
141.12767	1.7
145.10133	12.2
147.11707	13.4
147.40997	1.8
148.11966	2.8
149.13264	34.2
150.13602	2.3
151.11172	4.6
151.14821	6.3
153.12735	9.1
157.10178	2.2
159.11673	10.2
161.13287	9.4
163.03911	2.1
163.07527	2.1
163.11148	1.9
163.14832	7.2
165.12747	2.2
167.14337	3.0
173.13281	5.4
174.09071	2.0
175.14864	3.5
177.16359	5.8
181.12355	2.4
187.14857	8.0
189.16412	6.7
191.17937	6.6
195.11580	2.0
201.16460	4.4
203.18002	6.8
205.12280	2.1
211.14798	2.3
215.17990	4.6
217.19673	2.6
223.13179	2.7
229.08704	2.1
229.19650	2.2
245.22697	3.9
259.24329	3.7
265.25317	8.7
271.24075	6.1
277.25232	15.9
289.25269	19.1
295.26233	10.8
307.26282	41.0
325.07483	2.9
325.21591	2.6
325.27072	16.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2739
Annotation	Trixagotriol
Peak:m/z	Relative Intensity
53.03946	1.4
55.01870	1.8
55.05519	10.4
56.96564	1.7
57.03439	1.4
57.07074	2.7
65.03930	1.5
67.05510	16.1
69.03426	4.5
69.07072	34.0
70.06591	1.5
71.04987	4.7
71.60562	1.5
71.60990	1.3
73.06552	1.1
79.05505	12.7
81.03436	1.9
81.07063	61.8
83.04977	3.5
83.08628	5.9
84.08159	1.3
85.02900	2.2
85.06561	8.8
86.09682	1.1
91.05489	6.9
93.07044	20.3
95.04951	4.0
95.08614	39.8
96.37875	0.9
97.02921	2.4
97.06532	6.0
97.10175	3.9
98.97596	1.8
99.08108	4.2
105.07044	13.7
107.04930	1.0
107.08599	22.9
109.06535	3.6
109.09455	2.0
109.10165	24.4
111.08089	19.5
111.08851	1.0
111.11712	3.2
113.09661	2.4
115.07586	1.4
116.98668	1.1
117.07046	2.6
119.08590	10.1
120.08076	1.1
121.06524	1.8
121.10155	19.1
123.08101	3.3
123.11714	31.7
124.07538	1.5
125.09661	3.6
126.71768	1.1
131.08563	4.1
133.10150	8.2
135.08067	1.2
135.11696	10.4
135.95586	1.4
137.09627	2.3
137.13266	4.5
139.11189	29.1
143.10791	1.2
145.10132	5.4
147.11713	8.2
149.09601	1.1
149.13272	7.9
151.11191	6.0
151.14850	1.2
153.12727	3.1
157.10114	1.8
159.11725	4.1
161.13316	4.0
163.11232	1.0
163.14844	6.8
165.12776	2.6
167.14340	1.2
169.12242	2.3
173.13275	2.8
174.62798	0.9
175.11137	1.2
175.14835	4.8
177.16380	3.6
179.14357	2.2
185.13220	1.0
187.14833	2.2
188.03983	1.0
189.16405	3.2
191.17961	2.2
201.16441	1.9
203.18015	2.9
215.18007	4.3
233.19131	1.4
237.09027	1.1
269.12418	1.8
271.24179	3.2
277.25327	4.7
289.22156	2.1
289.25259	9.1
295.26489	1.4
307.19174	1.5
307.22687	2.3
307.26361	12.7
325.16257	100.0
325.27292	2.2
326.16516	8.0
326.23065	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2374
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
55.01877	24.6
55.05507	46.7
57.07077	9.4
57.81070	8.9
67.05506	79.3
69.03421	15.1
69.07067	40.8
69.62493	25.2
69.62923	33.4
71.04982	22.1
71.08624	8.1
76.13575	6.6
79.05495	56.2
81.07063	98.5
83.04970	17.7
83.08623	30.8
85.06550	14.8
86.80165	6.7
91.05489	57.4
93.07056	59.5
95.04957	28.0
95.08607	55.9
97.06546	37.2
97.10179	14.7
99.08065	8.7
105.07008	42.4
107.04971	7.7
107.08591	47.4
109.06514	26.0
109.10156	49.2
111.08077	14.5
117.07010	12.3
119.08564	55.1
121.06521	10.6
121.10152	40.9
123.08070	16.9
125.09570	14.6
131.08574	29.0
133.10127	58.2
135.08075	15.4
135.11720	28.2
137.09618	17.3
141.07367	7.4
145.10136	39.2
147.11713	28.3
149.09602	23.6
151.11227	13.1
157.10161	14.9
159.11658	18.5
161.13274	16.4
163.11148	22.2
165.12767	9.8
173.13185	10.9
177.12740	10.7
185.13190	8.0
239.18109	7.8
257.18967	23.3
263.20145	27.7
275.20102	100.0
276.20590	13.5
289.21683	19.6
293.21164	31.9
307.22729	90.9
325.23795	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	325.2011
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03949	18.1
53.04154	3.2
55.01878	14.4
55.05519	30.7
57.03445	22.0
57.07071	3.4
65.03947	2.8
67.05505	60.8
69.03422	12.4
69.07067	24.3
71.02788	6.1
71.03107	2.4
71.04978	9.4
79.05498	49.7
81.03420	48.5
81.03862	4.6
81.07062	74.5
82.23908	2.8
83.04983	49.1
83.08630	11.8
85.02910	4.4
85.06554	7.9
91.05484	40.5
93.07049	42.4
95.04965	29.8
95.08607	43.5
97.05910	4.0
97.06534	70.0
97.10172	11.6
99.04482	2.5
99.08091	3.0
105.07035	31.4
107.04278	4.1
107.04964	40.2
107.08599	30.1
109.06516	18.4
109.10168	32.7
111.04456	28.7
111.08086	10.7
113.05997	9.4
115.05454	2.6
117.07016	15.3
119.08598	18.4
121.05775	2.8
121.06490	15.6
121.10148	11.8
123.04486	3.7
123.08096	24.4
125.05999	6.0
125.09623	5.2
127.07551	2.4
129.07024	8.6
131.04916	2.9
131.08556	22.4
133.06490	6.3
133.10141	28.3
135.08063	16.6
135.11664	20.0
137.05984	5.6
137.09634	3.3
139.07603	4.0
141.06990	8.2
143.08603	8.3
145.06502	16.2
145.10130	9.8
147.08041	6.7
147.11705	5.5
149.05893	3.1
149.09636	8.5
149.13243	6.8
151.07567	4.9
151.11182	11.6
153.09106	2.8
157.10155	6.4
159.08078	18.0
159.11684	22.9
161.09569	6.9
161.10881	3.5
163.07629	2.9
163.11197	5.5
169.10112	6.9
169.12262	3.0
171.11748	3.6
173.09613	6.0
173.13322	3.1
175.11234	4.9
177.09106	4.4
177.12770	16.3
181.10320	2.9
185.09660	3.0
185.13284	3.4
187.11230	20.8
189.09531	2.8
189.11266	6.5
193.12201	3.5
195.12193	3.3
195.13766	13.4
199.11168	3.0
205.12251	9.3
205.15868	5.2
211.13341	3.5
215.14447	4.0
221.11737	3.4
223.13319	8.5
225.16431	3.1
233.15329	19.8
241.14339	62.1
243.17418	8.0
247.13310	3.9
253.15927	8.0
257.86646	2.4
261.18585	16.9
261.66190	2.6
271.16962	22.4
275.20108	5.9
283.33569	2.9
289.17993	100.0
307.19104	34.2
308.18625	2.7
325.20560	11.3
340.65576	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	325.2374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.6
55.01874	10.1
55.05511	43.2
57.03418	4.4
57.07070	2.5
59.04993	1.6
67.05177	2.3
67.05508	34.8
69.03414	6.1
69.07076	11.9
69.34880	1.2
69.72132	3.2
69.72544	6.8
71.04988	3.0
71.08631	17.3
75.86238	1.2
76.72704	1.1
79.05495	28.7
81.03419	18.5
81.07056	37.1
83.04988	14.5
83.08616	37.0
83.09110	2.1
85.02913	1.9
85.06537	2.7
91.04962	2.1
91.05481	22.9
93.06471	2.1
93.07045	32.8
95.04972	38.0
95.08599	21.7
97.02920	1.3
97.06542	7.8
97.10177	23.7
99.08101	16.6
101.77766	1.4
105.07027	22.0
107.04965	7.9
107.07874	2.1
107.08594	33.7
107.11746	1.4
109.06528	7.9
109.10159	21.3
110.61970	1.1
111.04436	17.5
111.08078	11.5
113.09637	1.6
115.05412	2.2
116.98671	1.7
117.07011	9.7
119.08582	21.8
121.06490	7.1
121.10142	20.2
123.08067	4.5
123.11693	4.5
125.09629	24.7
128.06221	1.6
129.06985	5.9
131.08575	16.3
133.06519	2.3
133.10138	17.6
135.08058	8.6
135.11697	12.0
135.26561	1.5
137.09589	4.3
139.07552	1.6
139.11223	2.8
141.07007	1.9
142.07800	3.1
143.08554	6.4
144.09335	1.8
145.06503	1.8
145.10114	18.8
147.08047	3.8
147.11705	9.0
149.05910	1.6
149.09613	11.5
149.13272	2.6
151.11201	2.8
153.09106	4.5
153.12718	5.1
155.08527	4.5
156.09363	4.0
157.10120	14.1
158.10866	1.8
159.08073	3.2
159.11700	12.7
161.09677	3.3
161.13229	3.0
163.11185	37.7
165.12793	5.3
167.08516	1.8
167.10631	4.3
169.10129	5.1
169.12196	1.6
170.10904	2.7
171.10307	1.6
171.11684	7.7
173.09709	2.9
173.13222	7.7
175.11186	4.6
175.14822	1.9
177.12744	3.9
181.10168	1.9
181.12227	5.2
183.11699	5.3
183.13887	1.8
185.11772	2.8
185.13327	5.0
187.11259	4.4
187.14844	3.8
189.11230	7.2
189.12692	2.2
191.10745	2.3
193.10320	2.7
193.12260	14.8
195.11908	3.1
195.13821	9.9
197.13266	4.4
199.14937	2.6
203.12747	4.6
205.12228	2.5
209.13306	4.2
211.14894	3.2
213.16466	2.2
215.17828	1.4
215.80260	1.6
219.13846	1.5
223.13060	7.0
223.15126	2.1
225.14610	2.2
225.16518	2.4
227.12810	4.5
229.19505	3.4
231.21172	1.7
239.18028	3.1
240.18649	1.6
247.20569	3.1
249.22142	2.6
257.18964	4.2
265.21835	2.2
269.15411	2.4
275.20062	27.4
279.21143	4.9
283.31290	1.3
293.21118	100.0
294.21432	5.4
307.22925	15.3
325.21597	22.0
325.24283	8.9
325.28082	2.6
325.28760	1.6
326.21829	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03946	16.4
53.12165	2.3
53.82572	2.4
55.01875	14.7
55.05303	2.0
55.05513	24.3
55.54065	1.9
55.70198	1.9
57.03434	27.5
63.39068	2.2
65.03947	3.5
65.55579	1.8
67.05505	75.9
69.03413	10.5
69.07072	22.2
69.45512	2.2
70.80565	5.6
71.04975	8.3
79.05489	42.1
81.03414	42.7
81.07056	69.6
83.04979	40.9
83.08620	11.3
83.25455	1.9
85.02889	5.2
85.06530	9.2
91.05476	35.4
93.07041	42.1
95.04966	30.0
95.08611	38.6
97.02877	2.6
97.06534	94.7
97.10164	10.5
99.04459	3.3
101.64976	2.1
105.07037	36.3
107.04942	32.9
107.08598	30.7
109.06505	15.3
109.10165	37.1
111.04447	24.7
111.08125	11.7
111.76257	2.2
113.05988	9.4
116.23150	2.1
117.07019	19.4
119.08595	19.9
121.06498	16.7
121.10146	9.7
123.04411	8.5
123.08044	23.6
123.11679	5.3
125.05978	3.5
125.09647	6.5
127.07561	3.5
128.06190	3.6
129.06979	6.3
131.08580	16.8
133.06487	6.2
133.10139	40.4
135.08047	12.4
135.09073	1.8
135.11699	20.2
137.09615	3.8
141.06960	4.6
143.08554	8.4
145.06476	15.6
145.10091	12.0
147.08028	6.0
147.11664	6.0
148.29623	2.4
149.09604	6.1
149.13257	5.2
151.07555	4.6
151.11163	13.4
155.08528	5.2
157.10092	7.2
159.08086	13.3
159.11684	21.2
161.09613	7.4
161.13295	2.8
163.07559	6.0
163.11119	4.6
165.09100	2.8
169.10112	8.3
169.12216	2.8
171.11635	5.5
173.09683	4.0
173.13199	3.1
175.11200	6.3
177.09064	3.1
177.12737	14.2
179.10619	2.8
185.09613	2.3
187.11194	18.6
187.14799	5.3
189.11127	2.6
193.12224	6.2
195.13840	13.2
197.13383	2.9
201.12743	2.7
205.10513	3.4
205.12263	8.8
205.15855	5.2
211.13237	3.7
212.70287	2.6
215.14334	6.9
223.13141	11.3
233.15347	15.8
241.14310	54.4
243.17416	3.9
251.16460	2.7
253.15849	6.1
261.18481	12.6
271.16904	20.1
275.19974	3.7
289.17975	100.0
307.18948	36.1
325.16428	3.8
325.20331	14.2
325.25455	3.6
338.98770	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
50.62870	1.7
51.42636	1.8
53.03947	11.2
53.95709	1.5
55.01868	5.4
55.05510	25.1
56.96547	2.7
57.03436	7.7
57.07066	2.3
57.08661	1.6
59.92654	1.7
66.01412	1.7
67.05507	33.4
69.03431	5.9
69.07073	13.3
71.01335	2.0
71.05000	15.4
72.02732	1.9
73.02914	2.8
79.05495	40.4
81.03417	21.0
81.07058	100.0
82.07403	1.9
83.04987	20.8
83.08621	7.7
85.06544	2.9
88.47326	1.5
91.05482	29.3
93.07048	36.9
95.04979	18.6
95.08617	28.9
97.06557	4.7
97.10176	4.4
99.08064	2.3
101.06000	2.4
105.07037	20.7
107.04967	14.6
107.08610	20.3
109.06528	46.1
109.10165	11.2
111.04479	3.1
111.08087	7.5
115.84073	1.7
117.07015	11.1
119.04985	2.9
119.08598	17.9
121.06534	10.2
121.10146	20.2
123.04466	3.2
123.08062	15.6
123.11758	3.0
125.05984	2.4
125.09613	5.6
127.03938	2.1
129.06979	4.2
131.08560	12.9
133.06517	4.6
133.10143	14.7
135.08070	7.2
135.11713	5.8
137.05956	3.8
137.09639	5.4
139.07564	3.5
139.11192	6.3
141.07016	3.4
141.09058	2.9
142.07846	2.3
143.08623	4.6
145.06496	5.3
145.10127	9.2
147.08089	5.3
147.11703	4.9
149.09621	7.5
149.13271	3.4
151.07556	4.1
151.11224	2.5
155.08571	2.6
157.10155	7.1
159.08087	8.4
159.11705	7.7
161.09622	7.7
161.13284	3.0
163.11169	2.0
167.10677	5.7
169.10152	3.4
171.11719	5.5
173.09557	3.6
173.13281	5.8
177.12749	3.4
179.10696	4.6
183.11635	3.3
187.11182	6.8
189.11182	3.5
189.12831	2.4
191.14301	2.6
193.12207	2.5
195.11749	3.0
197.13271	2.4
201.12721	1.9
205.12291	2.7
207.13824	6.4
209.13383	2.5
219.13765	2.9
223.14813	4.0
233.15422	3.9
237.14836	3.1
243.17488	4.9
249.14914	2.4
253.16125	2.9
261.18481	11.2
271.16977	16.1
289.17957	49.4
307.19226	6.8
325.20010	58.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2009
Annotation	Marrulanic acid
Peak:m/z	Relative Intensity
51.16302	2.3
51.25929	2.2
53.03931	9.9
54.96169	2.1
55.01873	40.0
55.05269	3.5
55.05515	56.0
57.03436	25.5
57.07066	4.4
65.03925	3.6
66.02936	2.6
67.05505	92.0
69.03419	10.9
69.07067	24.8
69.45312	24.7
71.01355	2.9
71.04971	4.2
79.05493	76.9
79.05958	3.8
80.06272	4.1
81.03418	19.5
81.07055	98.1
81.64593	2.4
83.04976	29.0
83.08614	14.9
84.02109	2.8
85.06509	6.4
91.05479	82.1
93.07043	62.1
95.04965	100.0
95.08055	3.4
95.08614	43.2
96.05736	3.6
97.02888	6.9
97.06508	9.7
97.10157	18.0
98.07295	5.4
98.21534	4.4
105.07030	51.3
105.07735	2.1
107.04959	93.6
107.08596	31.7
108.05744	6.8
109.06514	61.2
109.10154	45.4
110.07273	4.6
111.04434	10.8
111.08080	5.9
112.05217	8.5
112.77307	3.3
113.06020	5.0
115.05443	4.8
117.07021	33.7
119.04935	7.1
119.08575	38.4
120.05736	4.5
121.06501	18.3
121.10141	15.6
122.07271	41.7
123.04381	12.0
123.08043	10.9
123.11703	3.3
125.09656	19.0
128.06216	8.3
129.06987	12.7
131.08562	27.2
133.06474	21.4
133.10092	16.8
135.08043	19.3
135.11681	11.5
136.08833	4.3
137.09619	96.4
141.06992	6.0
142.07826	3.9
143.08548	13.0
145.06477	17.4
145.10123	15.5
147.08044	37.9
149.09602	9.1
149.13269	4.2
149.82227	3.1
151.07510	7.3
151.11197	4.2
155.08591	4.1
157.10184	7.9
159.08069	5.6
159.11694	10.5
161.09605	32.3
161.13214	2.8
162.10402	5.4
163.11160	12.6
165.08997	5.4
169.10057	6.0
171.11687	9.7
173.09599	3.5
173.13263	14.5
175.11246	5.9
177.12775	4.0
187.11159	6.1
187.14850	12.3
189.11218	15.3
189.12740	7.0
190.13478	3.3
191.08359	2.4
191.88979	2.4
205.15889	11.3
215.14272	15.0
217.15739	4.1
218.12741	4.0
233.15366	96.9
251.16409	21.9
261.14874	7.4
261.18564	4.3
262.19171	6.2
273.18549	14.6
290.18823	22.2
291.19522	11.0
307.19052	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	325.2009
Annotation	Hynapene A
Peak:m/z	Relative Intensity
53.03947	13.5
55.01863	13.4
55.05512	35.7
57.03429	11.4
57.07063	4.1
63.36429	3.0
67.05167	4.8
67.05506	65.3
69.03429	6.9
69.07069	23.0
69.89880	16.5
71.04995	31.9
79.05499	49.2
81.03423	33.6
81.07054	68.3
83.04985	73.8
83.08611	14.2
85.06515	8.5
91.05483	42.1
93.07047	51.8
95.04973	38.2
95.08604	41.8
97.06532	53.2
97.10184	8.6
99.04440	5.2
99.08131	3.8
103.05434	3.4
105.07034	40.8
107.04955	21.3
107.08603	29.1
109.06519	19.4
109.10156	24.6
111.04458	8.8
111.08076	8.8
117.07012	16.9
119.04898	3.7
119.08583	28.8
121.06500	14.3
121.10146	14.9
123.04465	5.8
123.08045	24.1
123.11715	6.8
125.06001	12.2
125.09650	4.7
128.06190	3.3
129.06989	11.5
131.04900	3.5
131.08571	21.8
133.06458	6.5
133.10103	23.7
134.23251	2.8
135.08012	14.6
135.11655	14.3
137.06000	5.1
137.09637	8.5
141.06995	3.2
142.07779	4.7
143.08563	11.3
145.06493	9.5
145.10130	20.5
147.08054	7.3
147.11662	9.9
149.09578	8.4
149.13228	6.0
151.07613	5.7
151.11201	10.0
155.08577	7.0
157.10141	13.7
159.08102	13.7
159.11693	12.6
161.09628	10.9
161.13277	6.3
163.07542	10.9
163.11211	10.9
165.09166	2.8
167.08521	3.1
169.10126	11.4
171.11690	12.1
173.09648	6.6
173.13229	9.2
175.11151	5.1
177.09215	4.2
177.12784	10.3
179.08568	3.4
179.10548	3.0
183.10127	5.1
183.11671	6.6
185.09648	6.3
185.13255	4.5
187.11209	10.3
187.14893	3.9
189.11150	5.2
189.12759	7.3
191.14317	3.5
192.49493	2.9
193.12163	3.0
195.11765	6.5
197.13260	7.7
199.14949	3.7
201.12743	5.2
205.12267	3.3
205.15891	6.0
207.11713	3.4
207.13799	4.3
208.05150	2.9
209.13327	5.2
212.60455	2.8
215.14348	3.5
219.13852	6.1
219.67464	2.7
223.14851	4.6
225.16589	3.4
233.15358	16.7
237.14664	4.8
243.17439	4.8
253.16034	5.3
261.18491	23.8
269.12408	3.4
269.15225	2.9
271.16879	15.5
289.17963	100.0
307.18869	33.8
325.21924	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.53288	0.5
55.01859	1.2
55.05289	0.5
55.05510	4.8
55.57603	0.5
56.96560	1.0
57.03440	0.7
57.07056	1.9
59.04979	0.6
59.18985	0.5
67.05506	7.3
67.78811	0.5
69.03410	2.5
69.06727	1.0
69.07070	15.2
69.98802	3.5
70.60816	0.6
70.70570	0.6
71.04972	1.9
71.08626	0.9
73.46307	0.5
79.05487	5.6
81.03408	1.0
81.06576	1.4
81.07057	26.5
83.04971	1.8
83.08609	2.8
85.02910	1.3
85.06550	3.4
91.05465	2.5
93.07044	9.6
95.04971	1.8
95.08604	16.6
97.02895	0.9
97.06536	3.1
97.10146	3.3
98.21369	0.9
98.97607	0.9
99.08100	1.9
101.63747	0.8
105.07032	7.4
107.08595	12.1
107.36186	0.6
109.02932	0.7
109.06515	1.8
109.09462	0.8
109.10162	10.4
111.08087	8.2
111.11723	2.2
117.07035	0.8
119.08585	4.9
120.08130	0.8
121.06519	0.9
121.10152	7.9
123.08097	1.1
123.10825	0.9
123.11710	13.5
124.07614	0.7
125.09604	2.4
127.03841	0.8
131.08542	1.7
133.10141	4.2
135.08026	0.7
135.11659	4.5
137.09621	1.4
137.13228	2.7
139.11188	13.7
145.10138	2.4
147.11676	3.2
149.13289	3.3
151.11171	3.6
153.12718	1.5
157.10204	1.1
159.11681	2.8
161.13264	2.3
163.11189	0.9
163.14780	2.3
165.12703	0.8
173.13239	0.9
175.14848	1.8
177.16283	1.5
187.14790	0.7
189.16425	1.3
191.17996	1.3
193.48375	0.7
203.18018	1.3
215.17967	2.0
267.38559	0.6
269.12421	1.4
271.24237	1.7
277.25275	1.4
289.21832	1.0
289.25250	3.1
289.40155	0.6
295.26172	0.7
301.58560	1.0
307.22684	1.4
307.26364	6.3
325.16229	100.0
325.27209	1.8
326.16556	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	325.1394
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
51.02374	0.3
55.01863	0.5
55.81605	0.3
56.96562	3.7
57.03433	1.4
59.04998	0.4
60.95821	0.3
61.02917	1.2
67.05488	0.3
69.03439	2.7
70.06582	1.1
71.01338	0.3
71.04980	0.7
71.58013	0.4
71.58445	0.4
72.97245	0.4
73.02906	1.6
74.06090	0.5
79.05483	0.4
81.03431	0.9
84.08129	1.6
84.96017	0.3
85.02905	5.5
86.09695	0.6
87.04460	0.6
91.05475	0.8
97.02905	3.0
98.06058	0.5
98.97583	2.6
99.04446	0.9
105.06960	0.4
107.04964	0.4
109.02891	0.6
110.07143	0.5
116.98611	2.3
118.06535	3.1
119.01894	0.4
119.68609	0.4
127.03950	1.6
128.98593	0.8
133.01669	0.3
133.07600	3.0
134.99660	1.9
136.06197	0.9
137.05940	0.4
145.07605	100.0
146.06001	1.0
146.08153	1.9
146.99603	1.0
147.06552	0.4
147.09149	0.8
148.03902	0.8
152.05637	1.2
153.06493	0.8
157.02565	0.6
158.99657	0.6
161.01208	0.7
163.05011	1.9
163.08664	58.2
164.07065	1.1
164.09000	1.0
165.00751	0.4
170.05156	0.7
174.99197	0.4
177.00677	1.3
177.04182	0.7
189.00676	0.5
190.98654	0.6
193.00229	0.9
193.08388	2.5
195.53964	0.4
213.03249	0.4
217.05508	0.5
219.01729	0.9
223.01180	0.6
237.02866	1.7
248.96034	0.7
256.04419	0.3
265.55310	0.4
325.13940	85.9
326.14542	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.2
53.79362	0.4
55.01879	2.6
55.05517	0.8
56.96579	0.7
57.03435	3.1
57.07104	0.4
59.48122	0.4
61.02938	1.9
67.05526	1.7
69.03431	16.5
69.07104	1.0
69.40755	1.2
69.41176	3.1
70.06618	1.2
71.01356	0.8
71.04993	5.4
72.08170	0.6
73.02930	1.5
75.04513	0.6
79.05499	1.0
81.03419	18.0
81.07056	2.9
83.04996	1.2
84.04511	0.5
84.08164	1.2
85.02905	4.7
86.09731	1.2
87.04487	0.7
91.05497	1.9
93.07066	2.0
95.04971	3.0
95.08640	1.3
95.37541	0.4
97.02911	2.4
97.06531	0.4
98.97607	0.5
99.04452	5.9
99.05006	0.5
103.03967	0.6
103.05483	0.5
105.07053	1.6
107.04945	0.6
107.08617	1.4
109.02852	0.6
109.06526	2.1
109.10180	1.5
116.05003	0.6
117.05502	2.3
117.07020	2.6
118.06529	3.7
119.04919	0.5
119.08601	1.8
120.08080	1.0
121.06551	0.5
121.10139	0.6
123.04449	0.4
123.08094	0.8
124.07617	1.6
127.03963	0.7
131.08600	0.9
133.06531	0.6
133.10173	1.0
135.08124	0.4
135.11705	0.7
137.05965	4.1
142.07803	0.7
143.08459	0.5
145.05307	0.6
145.06505	5.6
145.07631	5.9
145.10094	1.3
147.08096	0.9
147.09171	6.9
147.11703	0.6
149.09645	1.0
151.07558	0.6
153.01906	0.5
157.10101	0.7
161.06006	0.5
161.09631	1.3
162.07849	0.8
163.07555	1.8
163.08705	1.0
163.11215	1.3
172.06323	0.4
173.07118	10.1
173.09489	0.7
175.07419	0.5
175.08716	5.4
175.11116	3.0
177.00725	0.4
177.05313	0.4
187.11185	0.6
189.06618	0.8
189.12788	0.7
190.07408	0.6
191.08163	100.0
192.08475	1.3
193.12230	2.3
203.10612	0.7
205.09940	0.6
205.12212	1.2
217.12387	0.5
231.11247	0.5
233.09164	0.7
247.13344	0.6
249.08643	3.2
271.10684	0.7
289.11652	1.5
289.14514	0.8
293.11301	1.0
307.12851	33.3
308.13062	0.8
325.13840	35.4
326.14114	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97588	0.2
53.03949	1.8
54.41486	0.2
55.01660	0.2
55.01875	2.3
55.05500	0.5
55.31053	0.2
56.96554	0.3
57.03183	0.3
57.03436	3.2
57.07078	0.2
58.25879	0.2
59.04982	0.8
61.02912	0.9
67.05495	0.5
67.24842	0.2
69.03429	16.3
69.07059	0.4
69.33893	1.5
69.34310	0.8
70.06585	1.0
71.01328	0.9
71.04991	5.4
72.08148	0.3
73.02932	1.0
75.04453	0.3
78.04117	0.2
79.05470	0.7
80.56049	0.2
81.03416	16.6
81.07058	1.9
83.04968	0.6
84.08134	0.4
85.02896	1.1
85.25872	0.2
86.09693	0.4
87.04436	0.2
91.05470	1.5
91.35583	0.2
93.07027	0.9
95.04971	0.9
95.08595	0.6
97.02893	0.3
97.06535	0.3
98.06024	0.4
98.21525	0.4
98.97618	0.3
99.03833	0.4
99.04452	6.4
105.07007	1.4
107.08584	0.9
109.06491	0.9
109.10155	0.3
116.04950	0.6
116.98592	0.3
117.05502	1.8
117.07012	0.3
118.06554	3.8
119.08580	0.6
120.08056	0.3
121.06482	0.4
121.10130	0.8
123.08056	0.5
124.07574	0.7
131.08577	0.3
133.10138	0.6
135.08031	0.5
135.11717	0.5
137.05997	1.2
137.09628	0.3
138.09062	0.3
142.07700	0.2
143.08501	0.3
145.06548	0.4
145.07596	6.4
145.10065	0.5
147.08105	0.3
147.09160	8.2
147.11667	0.4
149.09560	0.4
151.07478	0.3
151.11185	0.3
152.07103	0.3
157.10138	0.6
159.11662	0.4
159.56761	0.2
161.07118	0.4
161.09628	0.5
162.07864	0.8
163.03870	0.4
163.07587	0.4
163.08669	1.0
163.11253	0.4
166.08701	0.3
173.07106	11.2
173.13153	0.3
175.08675	5.8
175.11176	0.8
185.07153	0.3
187.08691	0.5
190.07437	0.3
191.08153	100.0
192.08484	1.2
199.12260	0.2
203.08171	0.6
203.10606	0.4
205.09718	0.8
213.10272	0.4
215.11980	0.3
225.06712	0.3
225.72519	0.2
231.11397	0.4
233.09253	1.2
237.38008	0.2
243.11270	0.4
250.06387	0.3
271.10724	0.7
279.01791	0.3
289.11819	2.0
289.14929	0.3
293.07913	0.3
293.11069	0.2
307.12878	35.2
308.13193	0.6
325.13937	35.6
326.14066	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1393
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03934	1.6
55.01861	2.6
57.03426	3.0
59.04985	0.7
61.02919	1.3
69.03428	17.1
69.07034	0.8
70.06585	1.2
71.01339	0.6
71.04710	0.5
71.04999	6.1
71.16612	1.6
72.08123	0.7
73.02904	1.5
76.71043	0.6
81.02979	1.2
81.03416	15.4
81.07042	1.3
83.03401	0.6
83.04956	1.3
84.08099	0.9
85.02908	4.2
86.09653	0.6
87.04478	0.8
89.96597	0.7
89.97343	0.7
91.05477	5.1
93.07018	1.4
93.88533	0.7
95.04984	1.3
95.08603	1.6
97.02869	1.6
99.04462	5.7
105.07028	1.4
107.08590	2.1
108.08103	0.8
109.06464	1.2
117.05467	1.9
118.06537	5.0
123.08038	1.1
124.07581	0.8
130.04958	0.8
130.06474	0.9
133.10159	0.9
135.11690	0.8
140.27641	0.7
142.06549	1.6
145.07578	5.7
147.09174	9.4
147.11671	0.9
163.03886	2.7
163.08672	1.5
164.07051	2.2
169.07622	1.5
170.05988	5.4
173.07121	11.5
175.08702	7.0
191.08153	100.0
192.08643	1.1
192.10292	1.5
197.07094	8.2
198.05534	6.9
209.07109	0.9
215.11554	0.8
216.06638	0.7
223.08720	1.2
225.06578	19.7
226.04887	1.2
233.09276	1.3
234.98988	1.7
250.07576	1.0
251.04291	0.8
251.08141	2.6
253.06070	10.1
253.08592	1.0
253.09808	0.9
254.06091	1.0
257.21500	1.0
271.10843	1.0
277.66199	0.8
279.07681	1.2
289.11716	1.5
297.08688	0.9
307.12857	38.9
325.04086	2.3
325.08170	52.1
325.13882	33.6
326.08618	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	324.326
Annotation	N-Cyclohexanecarbonyltetradecylamine
Peak:m/z	Relative Intensity
52.01546	4.2
53.68075	3.9
63.31150	4.3
64.99624	4.1
71.29028	9.3
72.64185	4.2
86.09706	25.4
107.81457	4.5
131.43507	3.8
133.23743	4.6
173.11557	4.8
216.83118	4.5
308.23849	4.3
324.16895	4.4
324.32590	100.0
325.32925	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	324.2168
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
55.01871	1.2
55.05514	1.4
56.70138	0.5
57.07073	0.6
65.03930	0.4
67.05496	3.7
69.07066	8.5
69.37529	1.1
69.37939	3.4
77.16280	0.4
77.60635	0.4
79.05496	3.0
81.07057	7.9
83.04977	3.7
86.09702	100.0
87.10038	0.6
91.05478	8.1
93.07040	10.6
95.04969	3.0
95.08597	2.6
97.06562	1.1
105.07024	15.1
107.08619	3.1
109.06505	7.3
109.10126	1.6
111.08075	2.8
117.07069	0.6
119.08595	3.8
121.06460	0.7
121.10156	1.0
123.08048	1.1
123.11674	0.5
128.10707	4.8
129.06976	0.6
130.08662	0.5
131.08542	3.5
132.10199	33.5
133.06509	1.2
133.10126	18.7
145.10161	0.6
147.08061	0.6
147.11682	13.7
149.09637	1.7
149.13269	1.2
151.07570	3.9
151.11176	45.3
152.11572	0.7
156.10208	1.0
157.10161	0.7
165.12761	2.3
175.11139	4.3
192.14050	0.5
193.12254	4.9
210.14784	0.7
222.14938	1.3
260.20117	5.7
269.10352	0.5
278.21136	32.6
279.21497	1.4
283.06277	0.6
306.20627	8.5
307.21301	0.6
324.21677	25.9
325.21979	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1958
Annotation	CW 69D
Peak:m/z	Relative Intensity
55.05504	1.3
56.96582	1.0
67.05492	1.2
69.07073	0.8
71.04997	0.8
71.59888	1.0
76.56676	0.5
79.05492	15.6
79.05957	0.8
81.07060	1.7
81.69606	0.6
82.07359	0.5
83.08634	0.8
91.05486	1.4
93.07037	2.4
95.04965	1.1
95.08630	1.0
103.05471	32.1
105.07005	2.8
107.04956	18.4
107.08595	0.9
108.05192	0.5
109.10145	1.4
118.06544	3.6
121.06500	1.0
121.10132	0.7
131.04941	11.0
132.08080	1.9
133.08904	0.7
133.10097	1.0
133.76144	0.6
134.99597	0.9
146.09669	1.0
149.06029	1.0
172.95212	0.6
176.14352	43.6
177.14717	0.9
283.06351	0.9
321.68372	0.6
324.19586	100.0
325.10712	0.6
325.19901	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	324.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05519	3.7
56.05016	1.6
56.80746	1.8
56.96560	4.1
57.03431	5.3
57.07066	3.2
58.38482	2.1
61.02913	6.6
64.83341	1.8
67.05501	7.1
69.03418	17.6
69.07057	6.5
70.06589	5.8
71.04980	6.7
71.08617	2.8
71.59886	2.4
71.60281	2.2
72.08154	4.2
72.80913	2.3
73.02917	2.6
74.06087	3.3
79.05492	7.9
81.03410	7.6
81.07058	27.9
83.05012	2.7
84.04485	4.7
84.08137	4.3
85.02900	54.8
85.06541	37.2
86.09708	9.0
91.03975	3.5
91.05516	2.7
93.07027	2.6
95.04974	3.2
96.04514	2.5
97.02894	18.5
97.06510	2.8
98.97574	6.6
99.04434	3.6
99.05607	2.2
99.08090	7.2
102.05521	2.2
103.07584	7.2
105.07019	2.8
107.04937	3.4
109.02881	3.4
109.06516	26.1
109.10168	2.3
110.06084	2.0
111.05590	4.8
115.07583	13.6
116.98598	6.7
117.07045	3.0
119.04944	5.0
120.08108	7.5
125.00496	1.8
125.07154	4.4
126.05516	2.8
127.03938	11.8
127.07554	81.8
134.99655	4.5
135.04428	3.0
136.07538	2.8
137.05859	2.0
139.05005	12.0
145.04965	14.4
145.06627	3.9
145.08594	100.0
146.08975	3.7
146.99637	2.1
148.07555	4.0
150.09143	5.8
153.05490	2.4
153.06628	2.0
154.08623	2.2
158.99683	2.3
161.05969	2.5
162.05508	25.2
162.09122	19.8
163.03906	39.7
163.06001	4.7
163.07532	3.1
163.09654	2.7
167.11842	4.0
176.06903	2.5
177.00652	2.0
179.03378	4.9
195.11322	18.4
204.50751	2.0
219.01608	2.5
237.02876	3.4
247.10809	2.4
253.44167	2.2
254.52232	2.0
279.08841	2.3
279.13513	2.3
282.01572	2.2
296.16180	2.8
306.11682	2.8
307.13715	2.9
310.34152	2.6
324.10834	2.9
324.15564	17.1
325.13092	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	324.1077
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.05498	0.8
56.37180	0.5
56.96554	0.6
60.04504	0.7
69.03415	1.3
70.06594	0.8
71.04955	0.7
71.23274	1.2
71.23613	1.0
72.08183	0.6
73.94704	0.6
79.05485	1.0
81.07040	1.8
84.04494	0.7
84.08125	2.1
84.67406	0.5
85.02880	3.3
85.06546	1.8
85.08443	0.6
97.02879	1.1
98.97602	1.0
109.06522	1.5
116.05010	1.3
120.08047	0.8
127.07566	3.3
131.08224	0.9
136.07593	0.9
145.04811	0.7
145.08606	1.7
160.40656	0.6
162.05504	100.0
163.03873	1.0
163.05846	1.9
166.08606	0.7
200.57253	0.6
203.03616	0.6
208.08304	0.7
214.45654	0.6
284.36157	0.7
306.15182	1.7
324.10477	4.4
324.16309	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87408	0.4
56.96547	0.6
59.95378	0.5
60.04519	0.6
61.02911	0.6
67.44688	0.4
69.03424	1.2
69.07051	0.9
69.84821	0.9
69.85226	2.4
70.06601	0.5
71.04983	0.5
74.35352	0.4
81.07042	2.3
84.04501	0.7
84.08109	0.6
85.02892	2.0
85.06537	3.3
93.06985	0.6
97.02882	0.7
98.97567	0.6
99.08109	0.5
100.50978	0.5
109.06507	1.3
115.07556	1.0
116.04967	0.9
120.04459	0.5
120.08089	1.5
127.06635	0.6
127.07545	9.0
131.08162	0.9
145.08563	2.0
162.05493	100.0
163.03886	1.7
163.05835	1.7
164.90295	0.5
166.08556	0.6
208.08319	0.6
324.10468	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	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
52.47097	2.8
53.03936	5.8
55.01867	5.3
55.05521	30.7
56.96552	7.2
57.03429	5.3
57.07078	13.9
59.04998	5.5
64.50103	3.3
65.41145	2.7
67.05505	41.7
69.03423	13.8
69.06728	4.1
69.07072	60.2
69.26450	30.7
71.04978	14.4
71.08624	3.6
75.95706	3.0
79.05494	30.0
81.03404	9.0
81.06580	4.9
81.07059	100.0
83.04994	17.7
83.08617	24.9
85.02914	4.0
85.06542	11.8
91.05486	24.1
93.07048	62.4
95.04972	19.7
95.08611	73.1
97.06543	25.2
97.10158	16.1
98.97568	6.7
99.04432	5.0
99.08079	8.0
105.07030	30.9
107.04933	6.8
107.08596	53.2
109.06520	21.0
109.09453	5.4
109.10152	50.1
109.37600	2.8
111.04432	3.7
111.08093	15.3
111.11704	3.7
116.98653	7.5
117.06990	3.3
119.08591	36.2
121.06492	6.6
121.10145	48.4
123.08070	7.7
123.11710	27.7
125.05959	3.0
125.09615	8.0
128.87827	3.1
131.08530	8.2
133.10144	25.4
134.99646	5.1
135.07999	3.6
135.11688	35.0
137.09586	12.8
137.13246	12.8
139.07489	4.0
139.11194	10.0
143.08562	4.6
145.10094	9.9
146.10649	2.7
147.07957	3.6
147.11670	16.6
149.01305	3.4
149.09613	7.6
149.13255	23.8
151.11165	6.2
151.14821	3.1
153.12746	11.3
157.10123	5.8
159.08046	3.7
159.11699	10.7
161.09616	5.5
161.13266	12.8
163.11154	4.3
165.12718	7.4
167.10663	3.5
171.11647	4.9
173.13257	5.9
174.97438	3.1
175.14877	7.8
177.00716	4.2
177.12761	3.8
177.16367	5.0
185.13202	6.4
187.11125	3.3
187.14757	4.0
189.16385	6.9
203.17915	5.1
273.18552	4.0
277.25354	3.2
283.06378	3.1
285.10126	4.3
287.16400	4.0
287.23657	6.9
291.19586	4.4
293.24670	6.4
305.17227	6.9
305.24731	29.9
310.30475	3.2
323.05548	4.4
323.18564	6.8
323.25821	31.8
324.11450	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	323.2583
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
51.63470	1.7
52.38586	1.8
53.03943	2.8
55.05511	14.5
57.03429	2.5
57.07074	6.0
59.05008	2.7
59.13192	1.9
60.93657	1.8
61.83640	1.8
67.05512	21.9
69.03419	8.0
69.06721	2.6
69.07073	36.6
69.40083	12.2
69.40507	6.2
71.05003	17.8
77.52560	1.9
79.05486	17.4
81.03421	3.4
81.07063	100.0
83.04983	4.9
83.08622	8.6
85.06544	6.1
91.05478	16.3
93.07050	51.7
95.04372	2.2
95.04971	43.3
95.08614	73.3
95.09242	3.9
97.06516	9.8
97.10186	8.7
99.08090	3.9
105.07021	19.9
107.07942	3.6
107.08604	30.2
108.08910	2.0
109.06541	8.8
109.10164	37.4
111.08077	10.2
111.11739	5.1
119.08580	18.3
121.06506	2.0
121.10148	37.6
122.37032	1.7
123.08067	5.8
123.11703	30.4
125.09633	8.2
127.07599	2.5
127.11188	4.3
131.08568	5.6
133.10133	11.4
135.11700	18.4
137.09613	6.5
137.13257	37.6
139.11201	9.2
141.12715	3.4
143.08493	2.4
143.10687	2.3
145.10117	11.6
147.11707	20.9
149.09634	2.4
149.13228	10.1
151.11185	5.4
153.12758	5.7
157.10138	6.6
159.11745	11.6
161.13268	7.9
163.11148	3.9
163.14851	4.2
165.12779	8.2
167.10704	7.8
171.11652	4.0
173.13258	5.1
175.14799	3.7
181.12289	4.4
183.13872	2.6
185.13174	2.1
187.14874	3.8
189.16345	2.4
199.14871	4.6
201.16388	8.2
213.16484	5.7
229.19525	2.0
259.24158	2.5
269.22699	5.6
277.25241	2.6
287.23770	15.4
305.24792	21.0
306.24997	2.2
323.05591	3.3
323.25845	24.4
338.72867	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	323.2582
Annotation	Pacificanone B
Peak:m/z	Relative Intensity
53.03937	2.7
53.27610	2.7
55.01883	3.1
55.05514	21.8
56.96552	2.8
57.07074	8.4
59.05004	4.2
64.42680	2.1
67.05511	26.2
69.03435	7.9
69.07072	60.8
70.07412	2.6
70.48660	8.5
71.01350	4.4
71.04995	20.0
79.05501	22.2
81.07060	100.0
82.07398	4.1
83.04993	11.8
83.08613	12.5
85.06548	7.8
88.49311	1.9
91.05511	13.8
93.07041	48.5
95.04977	47.0
95.08614	77.2
96.53448	2.2
97.06523	13.9
97.10183	13.1
99.08133	4.3
105.07024	25.5
107.08606	38.2
109.06511	9.2
109.10165	37.2
111.08070	13.6
111.11719	9.6
115.38206	2.0
117.07059	2.5
119.08576	21.9
119.09232	2.1
121.06565	3.3
121.10152	38.3
122.10497	2.2
123.08112	6.3
123.11709	42.7
123.41684	2.1
125.00962	2.3
125.09634	9.0
127.11182	3.0
129.06982	2.8
131.08589	9.6
133.10127	15.4
135.08083	3.2
135.11687	19.8
137.05992	3.3
137.09613	6.5
137.13261	42.1
139.11148	14.1
141.09114	2.6
141.12802	5.0
143.10683	4.1
145.10109	12.6
147.11679	24.0
149.09608	2.7
149.13255	14.8
149.68399	2.2
151.11179	7.4
153.12773	5.1
157.10139	8.6
159.11720	17.1
161.13290	11.5
163.11172	6.9
163.14885	3.0
165.09178	2.5
165.12828	7.9
166.08578	2.0
167.10715	3.2
167.14351	4.0
171.11716	2.7
173.13268	6.1
175.14850	4.3
177.12758	4.8
177.16437	3.5
181.12328	4.3
183.13809	2.6
185.13298	2.9
187.14819	2.5
191.14098	2.9
195.13795	3.4
199.14812	4.3
201.16406	9.6
213.16374	4.3
219.17586	2.9
223.17006	2.4
269.22681	3.8
287.16791	2.7
287.23715	16.5
305.24771	26.6
323.25922	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03940	3.1
55.01862	2.3
55.05515	24.7
57.03422	3.5
57.07087	9.1
59.04992	4.7
62.36527	1.6
67.05506	39.2
69.03413	5.5
69.07068	54.8
69.73226	9.9
71.04996	10.4
71.08627	2.2
77.03900	1.5
77.82381	1.4
79.05497	19.0
81.03394	3.0
81.07059	100.0
83.04992	8.6
83.08618	14.6
84.37641	1.3
85.02886	3.9
85.06555	12.3
85.23624	1.4
87.04472	1.7
91.05480	14.6
93.07045	47.2
95.04971	13.0
95.08609	64.2
96.08914	2.2
97.02900	1.5
97.06535	10.8
97.10169	19.7
98.97580	3.0
99.04440	4.4
99.08092	5.1
105.07034	24.3
105.57211	1.5
107.04946	2.0
107.08593	36.4
109.06527	10.1
109.10155	69.4
110.10505	2.6
111.08072	11.3
111.11722	5.4
116.98641	2.4
117.07053	2.8
117.71799	1.3
119.08575	22.1
121.06504	4.0
121.09322	2.9
121.10149	37.3
123.08092	7.0
123.11709	43.7
125.09613	15.1
125.13298	1.5
127.11179	6.0
128.06212	1.4
129.07030	1.7
131.08591	4.2
133.10121	13.4
134.99593	1.7
135.08044	4.7
135.11696	22.3
137.05960	2.4
137.09628	6.9
137.13223	11.3
139.11179	12.6
141.12738	2.1
143.08521	2.5
143.10675	7.0
145.10121	11.9
147.08015	2.5
147.11707	14.0
149.09628	4.1
149.13275	16.6
151.11168	6.0
151.14743	1.6
153.09152	1.6
153.12730	9.4
155.10654	6.6
157.10112	3.5
157.12262	3.4
159.11681	9.3
161.13341	6.8
163.11179	6.4
163.14810	4.0
164.07100	2.8
165.12740	5.3
167.10658	4.7
167.14375	3.6
171.11646	1.8
173.09605	1.9
173.11794	3.2
173.13275	4.5
175.11212	1.9
175.14813	4.2
177.00591	2.1
177.12769	3.7
177.16344	2.7
181.12254	7.0
185.13216	1.6
187.14854	3.2
189.09290	1.3
189.11127	2.0
189.12726	2.8
189.16437	7.0
195.13808	2.2
199.14856	1.9
201.16380	4.4
201.55237	1.5
203.17917	2.6
207.17471	2.3
213.16431	3.5
219.17409	2.6
237.18462	2.0
249.18512	1.8
251.20024	2.3
259.24603	1.6
269.22595	2.8
287.23602	8.6
288.12228	1.7
293.24908	2.8
305.17505	2.4
305.21252	2.0
305.24741	35.0
306.13345	2.0
306.25040	1.5
323.05508	3.7
323.22513	1.3
323.25824	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2582
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03933	2.0
54.26789	1.1
55.01867	1.2
55.05265	1.2
55.05514	14.6
57.03428	3.3
57.07070	3.6
60.80544	0.9
63.26847	1.1
65.03922	1.2
67.05508	38.1
69.03427	2.1
69.07069	25.7
70.94540	1.4
70.94859	1.4
71.05000	8.3
79.05488	8.1
81.07059	54.7
82.07394	2.2
83.04991	3.9
83.08621	10.6
85.06536	5.5
91.05474	7.6
93.07047	22.8
94.07378	1.0
95.04990	7.3
95.08608	33.6
96.08894	1.0
97.02887	8.4
97.06551	5.0
97.10168	3.1
99.04462	1.9
99.08089	2.5
103.10126	1.0
105.07021	9.5
107.08602	17.8
109.06528	4.8
109.10161	100.0
110.10532	2.7
111.08109	5.5
111.11736	1.9
117.07088	1.4
119.08588	9.9
121.10149	18.9
121.80754	1.0
123.08108	1.4
123.11713	19.4
125.09670	1.5
127.11202	11.9
131.08559	2.7
133.10178	5.8
135.11702	10.8
137.09599	2.5
137.13261	4.3
139.11180	4.9
145.10141	3.4
147.11688	8.1
149.09627	2.8
149.13289	6.6
151.11220	2.3
151.14882	1.2
153.12750	2.0
155.10677	7.2
157.10188	1.8
159.11734	3.2
161.13290	3.9
163.11234	2.5
163.14877	2.3
165.12762	4.4
167.10703	2.5
167.14287	1.3
173.11745	5.5
173.13213	2.1
175.14876	2.1
177.12813	2.0
179.14331	2.1
181.12253	2.1
183.94397	1.0
185.15819	1.0
187.13313	1.6
187.14848	2.4
191.14424	1.1
193.15825	1.2
201.16290	1.7
203.18088	1.8
207.17471	1.5
213.16295	1.2
215.17967	1.5
221.68640	1.1
227.12631	1.1
237.18758	1.1
241.12474	1.1
243.65662	1.0
269.22675	1.9
287.23724	6.5
291.10110	1.4
293.24814	2.2
305.24753	24.3
306.25021	1.1
323.25793	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	323.258
Annotation	12S-HETrE
Peak:m/z	Relative Intensity
53.03948	1.4
54.43223	1.4
55.05510	10.8
55.33072	1.4
56.96550	1.7
57.03458	3.3
57.07074	5.4
65.03952	1.4
67.05504	44.5
69.03442	3.9
69.07069	23.5
70.73809	4.5
70.74159	1.7
71.04990	6.2
79.05504	9.4
81.07056	58.3
83.04999	2.6
83.08617	13.2
85.06538	7.2
91.05486	5.0
93.07044	16.7
95.04974	4.4
95.08612	33.6
97.02890	2.7
97.06538	5.4
97.10197	5.8
99.04487	1.5
99.08101	4.2
101.06030	3.5
105.07032	9.9
107.08598	19.9
109.06530	3.0
109.10158	100.0
110.10500	1.5
111.08101	5.3
113.57225	1.4
114.05551	2.4
119.08568	8.6
121.10145	12.1
122.05975	1.8
123.08080	4.1
123.08978	1.3
123.11713	26.3
125.09651	3.3
127.11206	13.7
131.08566	1.6
133.10175	5.2
134.10362	1.3
135.08109	2.0
135.11694	6.9
137.09660	2.4
137.13269	4.6
138.05501	1.6
139.11215	4.8
140.62125	1.6
145.10162	1.9
147.11685	5.1
149.09624	1.5
149.13242	7.3
151.11209	2.9
151.14856	5.3
153.12723	3.1
155.10663	11.5
159.11717	4.2
161.13266	3.7
163.11183	1.8
163.14836	2.1
165.12813	5.3
167.14314	3.3
170.29591	1.5
173.11795	5.4
173.13235	2.2
175.14847	3.2
177.12811	2.4
177.16264	1.6
179.14377	4.4
181.12318	1.4
189.16400	2.0
195.13893	2.7
213.16409	2.1
243.21205	2.1
269.22736	2.1
287.23795	4.7
293.24789	2.4
305.24728	37.8
306.25247	1.8
323.16901	4.2
323.25787	26.9
340.64471	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17655	3.2
53.03934	5.1
55.01867	15.1
55.05510	43.1
56.55272	3.6
57.02735	4.3
57.03429	10.4
57.07079	5.4
64.46192	3.3
67.05170	5.7
67.05505	70.8
69.03437	8.4
69.07062	25.0
69.96593	19.9
71.05001	6.2
79.05494	45.7
81.03418	4.9
81.07057	99.0
83.04987	27.7
83.08627	18.4
85.02875	4.3
85.06538	10.3
91.05484	63.1
93.07047	69.6
95.04978	20.3
95.08614	41.0
97.06521	11.9
97.10188	6.1
98.20924	7.6
99.08097	5.5
105.07044	54.6
107.04923	14.2
107.08596	56.1
109.06524	19.8
109.10159	50.1
111.04433	12.5
111.08107	18.4
117.07030	9.3
119.08594	24.5
121.06472	27.5
121.10184	21.5
123.04391	4.9
123.08050	10.0
123.11711	20.6
125.05991	5.6
128.06184	4.6
129.07007	9.7
131.08551	31.9
133.06549	18.0
133.10126	92.0
135.08057	13.1
135.11664	16.0
137.06012	4.3
137.09621	8.1
139.07489	12.6
143.08540	6.9
145.10124	13.5
147.08015	15.0
147.11688	10.4
149.09602	18.9
151.11176	75.5
153.09142	3.6
157.10109	6.3
159.08005	4.1
159.11664	7.6
161.09647	22.8
161.13229	5.5
163.11156	7.1
171.11685	8.6
175.11162	10.1
177.09064	9.9
179.10667	15.8
183.13791	32.5
185.09688	4.4
189.12769	5.3
203.14317	5.6
216.29303	3.9
223.13318	3.8
229.14209	7.2
234.38882	3.3
245.18947	16.6
255.17390	6.9
263.20093	20.7
273.18500	55.1
291.19574	100.0
292.19943	3.9
305.21042	11.8
323.22287	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.36434	3.3
55.01875	7.6
55.05513	33.9
57.07064	5.0
67.05508	70.6
69.03419	7.4
69.07057	18.7
71.04971	4.7
71.08620	8.3
71.60152	5.4
79.05503	39.8
81.03419	8.6
81.07057	100.0
82.86962	4.2
83.01311	4.2
83.04977	32.4
83.08633	14.5
85.06531	10.9
91.05480	55.2
91.13375	3.5
93.07053	61.9
95.04951	13.0
95.08620	39.6
97.06526	7.3
97.10167	7.7
99.08089	4.1
105.07029	59.2
107.04982	13.0
107.08597	57.3
109.06499	15.6
109.10163	64.3
111.04478	9.6
111.08090	10.7
117.07017	15.3
119.08578	34.4
121.06495	11.4
121.10165	18.8
123.04358	4.3
123.08070	12.8
123.11688	11.0
127.02161	4.4
129.07013	6.7
131.08603	18.7
133.06496	10.0
133.10132	90.6
135.08054	11.4
135.11696	8.4
137.09567	5.2
139.07518	6.9
143.08559	8.3
145.10141	15.1
147.08098	8.8
147.11699	10.4
149.09637	13.0
151.11206	66.6
157.10136	10.8
159.08163	5.4
159.11684	10.1
161.09621	13.0
161.13295	5.0
163.11227	6.7
165.09171	4.6
171.11665	9.6
175.11195	8.0
177.09126	14.3
179.10674	12.6
183.13828	28.4
189.12712	4.4
193.12207	31.3
229.14407	8.6
236.47910	4.4
245.18968	13.6
257.53864	4.4
263.20126	11.5
273.18475	40.4
275.20035	14.6
291.19595	58.1
305.21167	22.7
323.22067	26.1
323.26074	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	3.6
55.05512	28.3
57.03424	3.9
58.03777	1.6
58.21896	1.7
58.70462	2.4
65.11162	1.6
65.59615	1.9
67.05511	14.5
69.03419	4.6
69.07074	15.6
69.31824	5.1
69.32228	17.0
71.04973	1.7
78.56220	1.8
79.05497	15.5
81.03426	4.4
81.07066	19.3
83.04990	3.1
83.08613	12.5
91.05467	12.0
93.07045	12.3
95.04977	10.5
95.08594	10.9
97.02859	3.5
97.06499	2.3
97.10170	21.7
98.20736	4.0
100.64782	2.1
103.03593	1.7
105.07034	9.8
107.04954	5.2
107.08590	15.4
109.06462	4.1
109.10119	5.4
117.06983	2.2
119.08579	11.7
120.26334	1.9
121.06477	2.6
121.10106	7.7
123.08077	8.1
125.09642	17.3
129.07054	3.3
131.08563	7.9
133.06496	2.1
133.10121	3.7
135.08067	5.9
135.11664	2.1
143.08589	3.0
145.10123	5.4
147.08038	5.3
147.11696	3.1
149.09590	2.4
153.09114	4.0
157.10081	2.5
157.12305	2.4
159.11703	2.5
163.11188	2.6
165.09093	3.5
171.11745	2.9
179.41528	1.8
193.12209	7.3
203.12727	10.3
223.13344	9.9
273.18484	11.2
291.19550	100.0
292.19791	2.8
305.21158	19.7
323.22229	8.7
323.27426	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	323.2218
Annotation	Rapanone
Peak:m/z	Relative Intensity
53.03935	1.6
55.01875	9.1
55.05519	10.4
57.03438	28.2
57.07080	2.5
65.03930	2.1
67.05164	2.6
67.05502	30.3
69.03434	1.8
69.07059	4.2
69.88738	6.8
71.04986	4.7
79.05499	19.0
81.03402	2.7
81.06578	2.0
81.07058	34.8
81.50958	1.2
83.04982	11.8
83.08614	4.9
85.02926	3.3
85.06548	30.7
91.05481	14.7
93.07046	17.8
95.04973	44.8
95.08616	7.9
97.06538	4.5
97.10175	3.3
99.04501	1.5
105.07033	10.3
107.04962	5.0
107.08608	11.5
109.06522	31.9
109.10170	5.9
111.04451	15.7
111.08089	5.6
111.79462	1.4
113.06009	100.0
113.61539	1.5
116.06174	1.7
117.07022	10.6
119.08585	11.2
121.06544	4.4
121.10142	8.2
123.08064	4.0
125.05902	1.5
125.09652	3.2
129.07031	4.5
131.08575	9.3
133.10120	5.4
135.08057	23.4
135.11731	6.7
137.09625	2.2
143.08566	4.9
145.10112	12.8
147.08029	6.5
149.09633	5.0
149.13261	1.7
153.12709	6.7
155.08696	1.5
157.10115	4.2
159.11711	2.2
161.09650	3.4
163.11186	11.0
165.09064	1.8
171.11617	2.9
173.09630	2.3
173.13148	2.1
181.12227	7.7
183.11697	1.5
189.11172	1.6
189.16452	1.8
191.10678	7.5
208.15359	1.7
209.11708	4.1
217.15764	8.6
223.13272	2.2
227.12773	9.9
245.19026	2.0
249.14793	2.7
255.17496	2.8
273.18497	23.7
291.19537	78.7
292.20068	2.0
305.21219	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79823	1.0
55.01881	7.0
55.05509	10.1
57.03440	26.0
57.07072	1.5
65.03925	2.4
67.05505	30.8
69.03430	2.2
69.07063	4.4
69.89565	5.7
71.04993	3.3
79.05493	17.8
81.03409	1.5
81.07063	33.5
81.67882	1.2
82.99209	1.0
83.04990	10.8
83.08615	4.1
85.02914	1.6
85.06551	28.4
91.05475	14.2
93.07049	15.0
95.04971	40.1
95.08613	8.4
97.06512	3.1
97.10177	3.4
98.20831	1.8
98.97636	1.3
99.04427	1.2
99.08077	1.2
105.07029	10.5
107.04968	4.3
107.08588	10.5
109.06522	32.1
109.10165	4.3
111.04447	12.8
111.08084	5.5
113.06009	100.0
117.07037	9.3
119.08592	11.8
121.06508	4.4
121.10146	5.2
123.08050	3.3
125.09642	3.3
129.07021	4.0
129.56349	1.0
130.07742	1.2
131.08592	9.0
133.06557	1.5
133.10115	3.4
135.08054	20.4
135.11667	6.7
137.09569	1.1
143.08566	3.2
145.10130	11.0
147.08012	5.6
147.11664	2.1
149.09615	5.5
153.12738	5.7
155.08562	1.2
157.10144	3.6
159.08144	1.0
159.11682	4.0
159.12875	1.2
161.09644	5.4
163.11191	8.9
165.09067	1.7
169.16862	1.0
171.11662	2.6
173.09570	1.9
173.13196	1.4
175.11229	1.3
175.70343	1.1
177.12698	2.6
181.12225	7.4
183.11736	1.2
191.10684	6.9
195.11819	1.2
195.13802	1.1
199.14850	2.5
201.12781	1.8
209.11661	1.9
213.12895	1.2
217.15921	7.7
223.13254	1.7
224.54633	1.0
227.12778	8.2
237.16402	2.1
245.19089	1.5
249.14970	1.7
255.17351	3.8
273.15781	2.0
273.18497	22.2
291.19553	75.1
296.40744	1.1
305.21017	5.1
323.22388	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	323.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.5
53.11021	1.4
55.01871	17.4
55.05511	50.0
55.88007	1.5
57.03435	8.8
59.05000	1.6
63.18257	1.3
65.03940	2.0
67.05505	49.4
69.03418	6.3
69.07065	29.6
69.32034	17.2
71.04977	5.1
79.05494	47.1
81.03416	26.0
81.07056	98.6
82.07404	2.0
83.04973	21.5
83.08618	26.7
85.02889	5.1
85.06535	3.0
91.05474	20.0
93.07045	36.8
95.04969	23.0
95.08617	27.2
97.02876	1.6
97.06532	20.2
97.10167	41.8
97.32823	1.8
98.97547	2.5
99.04507	2.0
99.08076	3.7
105.07034	25.1
107.04950	5.3
107.08601	28.4
109.06526	8.3
109.10152	16.2
111.04440	16.3
111.08082	9.8
112.11311	1.6
115.05502	2.1
116.98633	2.0
117.07025	10.2
118.61816	1.4
119.08587	22.2
120.05698	1.5
120.32864	1.6
121.06496	6.3
121.10136	14.1
123.04439	3.8
123.08069	42.7
123.11745	2.1
125.09621	34.6
128.06250	1.8
129.06993	7.3
131.08569	13.4
133.06490	3.5
133.10139	10.5
134.99652	2.3
135.08040	12.5
135.11682	13.1
135.50941	1.5
137.09619	14.2
139.11122	2.3
143.08522	4.9
145.10120	15.1
145.57867	1.5
147.08029	12.1
147.11700	9.5
149.09610	5.6
149.13255	4.6
151.11270	1.6
153.09116	6.9
153.12726	8.8
157.10149	8.7
159.08084	1.9
159.11682	5.9
161.09625	2.9
161.13229	1.8
163.11172	41.7
165.09120	14.2
169.10159	3.1
171.11656	2.6
173.13145	1.9
175.11185	5.1
177.12730	3.6
181.12172	8.7
185.09628	3.0
187.11107	2.3
189.11250	6.5
191.10635	10.5
193.12260	19.7
195.11656	1.7
198.66354	1.8
203.12720	10.4
203.14395	1.7
205.12248	3.1
209.11804	2.9
223.13225	9.2
225.14897	2.0
227.12814	16.1
227.17915	4.1
241.14424	2.7
245.18983	3.9
255.17436	5.9
263.20126	2.5
273.18466	38.7
277.00784	4.2
278.70337	1.6
291.19540	100.0
292.19785	2.5
305.17722	3.4
305.21033	15.0
323.14697	6.8
323.18674	3.0
323.22256	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	322.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.4
55.05515	6.6
56.16656	1.3
59.05024	1.3
62.06089	100.0
67.05504	17.6
69.07067	3.9
70.07986	6.2
71.08638	1.3
76.37134	1.0
79.05495	12.6
81.07062	22.0
83.08607	1.9
91.05474	5.4
93.07047	15.9
95.04959	2.6
95.08611	14.4
98.20857	1.5
100.80563	1.3
105.07030	5.4
107.08595	6.9
109.06530	1.5
109.10163	5.2
111.04417	1.2
116.98656	2.2
117.06973	2.1
119.08573	5.3
121.10144	7.1
123.11731	2.1
131.08559	3.1
133.10124	2.2
135.11667	4.3
140.03799	2.9
140.22922	1.2
143.52043	1.1
145.10112	3.5
147.11630	2.4
149.09547	1.6
149.13266	2.3
158.11859	1.3
159.11639	1.3
161.13213	1.5
163.11208	1.4
163.14920	2.6
173.13293	2.6
177.16507	2.3
243.21077	5.1
261.22195	7.0
277.00891	1.6
304.26529	1.8
305.24817	3.5
322.24612	3.2
322.27542	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	323.0739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21663	2.3
56.96563	16.3
66.03513	2.4
69.80917	9.7
69.81327	7.0
74.97615	2.8
85.02883	7.3
98.97575	26.2
100.40823	2.6
116.98627	15.2
128.98592	5.6
132.98102	3.8
134.99612	7.3
144.98151	3.1
146.99612	6.7
149.01329	3.0
150.99159	4.9
158.99620	4.5
161.02917	6.7
173.02957	3.5
174.99149	4.1
175.02798	3.2
177.00653	3.3
188.97160	4.0
189.00774	3.2
193.00232	10.0
201.00644	3.2
202.98770	2.8
219.01765	6.3
220.99712	4.7
221.03290	8.1
230.98068	5.0
237.02800	9.4
248.89600	5.1
248.99200	3.1
263.00797	9.9
263.04184	3.0
281.01682	9.5
281.05389	14.0
299.02652	3.1
323.07330	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	322.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	4.3
57.07084	0.5
60.04521	0.7
62.06088	100.0
63.06426	0.5
67.05505	14.4
69.07064	4.9
70.02971	0.5
70.19053	2.0
71.08642	0.5
79.05491	8.8
81.07055	14.2
83.04998	0.7
83.08620	2.0
83.50311	0.5
84.17258	0.4
91.05476	4.3
93.07037	11.7
95.04985	1.5
95.08604	11.0
97.06522	0.5
97.10176	2.1
98.06028	0.8
99.04471	0.4
105.04512	0.5
105.07022	3.4
107.04992	0.6
107.08582	6.3
109.10155	4.4
111.08133	0.5
117.07051	1.3
119.08560	2.8
121.10139	5.1
123.08121	0.5
123.11703	2.1
125.09670	1.1
127.16886	0.4
130.08681	0.5
131.08542	2.6
133.10139	1.8
135.08054	0.5
135.11703	3.1
137.13303	1.2
145.10110	2.1
147.11717	1.3
149.13312	1.5
151.14883	0.4
159.11731	1.5
161.13287	1.2
163.14841	0.9
167.37357	0.4
169.18507	0.5
172.13356	0.9
173.13351	1.3
175.14902	0.5
177.16467	1.4
186.14983	0.6
187.14893	0.8
200.16557	1.1
212.70224	0.5
214.14479	0.4
214.18027	0.9
223.13283	1.0
228.19669	0.7
230.88673	0.4
243.21262	1.6
261.22076	2.9
266.21024	0.5
273.18646	0.5
279.23206	0.5
291.19537	9.4
304.26266	2.9
305.21219	1.8
305.24814	1.2
322.27417	12.1
323.27740	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.01875	2.2
55.05497	2.3
56.05024	1.4
56.96569	3.3
57.03420	2.6
57.50271	1.0
61.02922	4.2
67.05507	3.4
68.05029	1.1
69.03429	10.0
69.07067	4.1
70.02954	1.2
70.06589	22.9
71.04989	2.9
71.60084	1.4
72.08157	11.5
73.02885	2.4
74.06081	1.5
79.05500	7.5
81.03413	4.2
81.07054	4.1
83.04973	6.0
83.08609	2.6
84.04491	3.2
84.08144	4.2
85.02902	21.1
85.03370	1.8
86.09705	17.6
87.04460	1.9
87.05580	1.4
88.03985	2.9
91.05485	5.5
93.07030	2.2
95.04952	1.5
95.06004	1.1
95.08610	1.5
96.08119	1.7
97.01833	1.1
97.02907	7.1
97.06467	1.6
98.06071	1.2
98.45627	1.3
98.97567	3.1
99.04453	1.3
105.07050	3.3
107.04978	1.7
107.08591	48.1
108.08940	1.3
109.02879	2.4
109.06512	2.7
109.10185	1.2
110.97554	1.2
111.08057	1.5
112.08742	2.4
115.05450	1.6
116.07061	5.5
116.98633	2.2
118.06710	1.7
119.08601	2.0
120.08096	21.0
120.08925	2.0
122.06006	4.1
124.07583	2.9
125.09630	100.0
126.09975	2.7
127.03952	5.8
129.10242	3.8
130.04962	1.3
133.10112	3.1
134.99635	1.7
135.08000	1.8
136.07587	13.9
138.05443	2.2
138.09122	3.4
139.03928	1.7
142.06535	3.6
142.08606	2.2
143.08656	1.2
145.04950	3.1
148.07584	2.0
154.08630	8.3
156.10162	1.7
158.99741	1.4
160.07579	89.8
161.05884	1.7
161.07941	3.2
163.11047	1.2
164.07103	8.5
170.81276	1.4
173.04784	1.4
174.09033	1.6
175.08707	1.3
177.00723	2.2
177.12776	1.4
178.08781	1.1
182.08171	3.3
197.10280	1.6
200.13911	3.5
203.08322	2.2
206.08273	1.3
214.08659	1.8
217.09756	2.6
219.14940	5.4
222.08366	3.3
224.79869	1.1
227.08052	1.5
231.08731	2.7
245.09254	6.8
247.14655	1.8
248.08148	1.6
259.10709	2.5
263.10074	1.6
265.63989	1.3
270.16852	2.4
274.87231	1.3
277.11862	2.0
286.12869	2.4
287.10141	3.4
304.11426	1.4
304.13998	2.2
305.11353	21.9
305.14594	2.5
305.17627	1.3
322.12482	10.4
322.18567	1.9
322.22150	1.9
323.12430	11.0
323.16238	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	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.1
53.32976	2.3
54.71090	2.4
55.01876	6.0
55.05505	12.3
56.05013	2.9
57.03429	8.2
61.02922	5.4
67.05488	20.4
68.05821	6.1
69.03426	20.8
69.07061	11.2
70.05747	14.5
70.06590	7.3
70.53008	2.4
71.04985	8.5
72.08130	3.7
79.05476	12.6
81.03408	6.3
81.07056	36.7
83.04971	13.2
83.08617	4.2
84.08132	14.0
85.02905	34.5
85.06550	24.3
86.09711	27.0
87.04457	2.8
91.05479	11.1
93.07040	28.5
94.06557	7.4
94.07395	5.1
95.04984	14.3
95.06909	3.4
95.08598	12.3
96.08138	5.6
97.02887	16.2
97.06522	13.7
98.09686	13.1
98.10285	2.4
98.97604	5.0
99.04478	5.5
99.08080	27.2
102.09178	26.9
105.07027	18.5
107.08599	21.9
109.02880	6.6
109.06511	25.9
109.10149	12.5
110.06835	3.6
110.10487	7.8
111.08083	8.2
113.06006	6.7
115.08760	3.0
116.10730	28.1
117.07040	3.2
118.06546	3.3
119.04932	2.5
119.08573	12.9
120.08124	16.3
121.06499	9.1
121.10119	10.9
122.06017	20.9
122.10545	4.0
123.06358	14.4
123.08041	4.9
123.11701	7.1
124.07613	11.0
125.06030	6.7
127.03905	12.7
127.07564	7.4
131.08598	5.0
133.10118	3.8
135.08051	7.3
135.11696	8.8
136.07567	45.6
137.07916	30.6
137.09608	3.2
138.05504	7.6
139.07576	5.4
139.11176	3.0
141.05450	3.6
142.12274	10.7
143.07115	6.2
144.13806	4.0
145.04958	6.4
145.10112	12.8
147.11661	8.1
149.13194	2.9
157.08644	4.7
159.06549	7.9
159.11719	10.9
160.12109	3.7
160.13327	100.0
161.13245	5.1
163.09903	2.8
163.11172	14.6
164.07056	81.0
165.07422	58.4
165.12816	7.4
169.10234	3.2
177.05450	3.1
177.12834	8.2
180.10208	8.6
181.12201	14.3
182.08125	63.7
183.08473	46.9
187.11191	12.4
195.13824	3.5
205.12236	24.5
207.23711	3.4
209.11734	2.8
215.10669	5.5
223.08475	2.8
223.13295	47.6
233.11705	3.7
237.02623	3.5
241.14371	37.1
242.14803	2.6
245.13901	4.7
251.12778	20.8
259.15164	2.8
264.14487	12.2
269.13791	22.1
287.14761	3.8
295.09525	4.6
305.08310	3.9
305.15268	6.2
322.18597	55.6
322.24561	9.7
323.05423	4.4
323.09149	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	322.1762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	4.8
56.36993	0.6
56.96562	0.6
65.03946	0.6
67.05523	1.0
69.03452	1.0
69.07076	0.8
70.06596	3.2
71.04999	1.2
71.30566	1.3
72.08159	91.0
73.08497	1.2
79.05508	1.6
81.07072	1.1
83.04967	0.6
84.08126	1.1
85.02871	1.3
86.09717	2.7
91.05483	17.4
92.05811	1.1
93.07053	1.8
94.06574	1.2
95.04996	0.9
95.08626	0.8
96.08129	1.4
97.02906	0.6
98.97594	1.2
103.05473	2.2
105.07030	1.0
107.04929	1.1
107.08591	1.1
109.10205	0.7
112.99145	0.7
116.98633	1.3
120.08112	58.9
121.08480	1.9
121.10113	0.8
122.06001	1.6
124.07623	1.4
129.10245	100.0
130.10579	2.0
131.00114	0.8
131.04948	1.4
133.06528	0.6
136.07576	1.5
137.05952	0.7
138.05487	0.7
143.08665	0.7
143.10680	0.8
149.01271	0.7
149.05974	1.0
152.07066	4.1
153.07440	3.0
157.09735	30.3
162.05478	0.7
164.07111	0.7
166.08646	38.8
167.09015	0.7
170.08167	0.7
180.06538	0.8
181.06902	0.9
203.02202	1.7
217.80070	0.6
229.09160	0.7
237.06934	1.3
237.57135	0.6
245.62582	0.6
265.15344	0.7
269.13803	1.0
281.11389	1.4
286.12512	0.9
287.13748	0.8
288.12164	0.7
304.13867	1.1
305.05560	1.5
305.14893	1.0
315.22244	0.7
322.11060	1.7
322.14655	1.5
323.12509	0.8
323.15875	1.1
327.07385	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2423
Annotation	11S,12R-EpETrE
Peak:m/z	Relative Intensity
51.02380	1.6
53.03936	2.0
55.05509	26.5
57.03439	5.7
57.07068	6.7
59.04988	3.4
61.62242	1.8
61.74056	1.5
62.78305	1.6
67.05506	52.0
69.03435	5.3
69.07068	32.1
70.45953	1.5
70.85368	5.5
71.01366	2.9
71.04993	18.3
71.08635	1.9
79.05490	24.4
81.07055	94.3
83.04990	15.9
83.08610	14.3
85.02898	1.9
85.06542	5.8
91.05479	14.8
91.73392	1.6
93.07040	62.6
95.04977	16.2
95.08608	55.0
97.06543	10.6
97.10168	9.7
99.08118	3.2
105.07027	26.8
107.04966	3.2
107.08596	48.0
109.06493	9.8
109.10154	100.0
111.08092	5.9
111.11700	2.8
113.06025	1.8
117.07058	4.1
119.08566	27.3
121.06500	4.7
121.10139	63.5
122.10532	2.3
123.08038	8.9
123.11709	28.3
125.05983	4.1
125.09621	6.4
127.07562	1.6
127.11192	6.5
129.06978	2.4
130.07835	2.7
131.08568	8.7
133.10112	17.0
135.08083	4.4
135.11681	20.2
137.09616	9.0
137.13260	4.8
139.11185	7.5
143.08582	3.1
145.10123	16.0
146.10672	1.6
147.11682	13.3
149.09630	6.2
149.13263	16.5
151.11183	8.0
152.02124	1.6
153.12776	5.5
155.10654	5.7
157.10112	2.5
159.11716	7.7
161.13290	5.6
163.11188	14.1
163.14806	2.9
165.12776	3.9
167.10683	2.2
171.11632	3.4
173.11806	3.8
173.13280	6.3
175.11188	2.2
175.14819	3.4
177.12762	2.7
181.12230	6.3
185.13234	3.9
187.14821	6.8
189.12796	2.7
191.14253	2.3
199.14746	2.5
200.94312	1.8
201.16377	2.6
205.16034	2.7
211.14980	2.5
213.16592	1.8
215.17926	2.0
219.75313	1.8
227.18152	2.0
257.22583	3.0
259.20581	3.2
267.21078	3.7
275.23569	2.7
277.21628	10.0
285.22205	7.9
303.23203	25.5
304.23337	2.2
315.57681	1.7
321.24225	48.2
322.24466	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	321.2061
Annotation	Smardaesidin F
Peak:m/z	Relative Intensity
53.03938	2.4
55.01868	2.0
55.05273	1.7
55.05506	11.1
56.96556	3.3
57.03432	3.7
57.07080	7.2
57.30929	1.1
59.04984	4.1
67.05510	17.2
68.54180	1.3
69.03426	5.4
69.07066	16.9
70.73031	2.3
70.73413	3.1
71.05003	6.9
78.09739	1.4
79.05481	8.9
81.03382	1.5
81.07052	25.9
81.07826	1.4
83.04974	5.9
83.08613	5.9
85.02892	3.1
85.06532	6.6
86.06075	2.3
91.05470	9.1
93.07033	17.5
95.04969	10.5
95.08603	34.9
97.06532	8.1
97.10162	8.4
98.97568	2.2
105.07030	18.8
107.04962	2.7
107.08589	18.7
109.06544	9.6
109.10143	19.7
111.08047	2.5
111.11741	2.1
113.05981	2.4
113.09576	1.7
116.98636	2.5
117.07021	2.5
119.08585	17.9
121.06509	5.4
121.10149	21.4
121.35248	1.3
123.08067	45.4
123.11690	8.7
125.06017	1.8
125.09646	3.2
131.08600	9.9
133.06491	2.9
133.10143	11.8
135.08043	5.3
135.11679	7.3
137.05960	7.3
137.09595	6.1
137.13234	2.8
139.11182	3.6
141.09081	3.7
142.07748	2.8
143.08565	3.8
144.09338	1.5
145.10097	10.1
147.08061	5.7
147.11694	10.3
149.09599	5.9
149.13199	1.3
151.07542	100.0
151.11212	2.5
155.10699	3.0
156.09380	1.6
157.10118	4.8
159.08064	4.1
159.11682	6.5
160.03825	1.5
161.09639	5.4
161.13249	5.0
163.11203	5.2
163.14722	2.6
165.09106	2.8
165.12723	5.0
169.10103	2.5
171.11662	5.5
173.09648	4.0
173.13210	7.4
175.11157	7.9
175.14891	2.0
177.09099	1.7
177.12671	1.9
179.10712	2.2
183.11708	3.3
187.14833	2.7
189.09262	1.4
189.11052	2.7
189.12730	27.7
189.16389	1.9
191.10744	2.0
191.14362	2.2
192.11432	4.6
196.12813	1.3
197.11700	5.6
201.12680	2.7
207.13799	71.4
215.14307	1.5
219.13811	1.4
225.16365	2.2
229.12318	2.1
233.15334	4.3
243.17360	1.6
243.21196	1.6
247.13173	2.8
269.12396	1.7
275.23584	2.2
285.18478	4.6
285.21893	1.8
303.16501	1.5
303.19601	7.9
303.23148	15.8
321.17249	2.6
321.20566	59.8
321.24237	13.4
322.21133	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	321.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.1
53.14050	3.0
55.01864	10.3
55.05510	26.1
57.03439	76.0
57.07066	4.8
65.03944	3.1
67.05502	43.9
69.03426	4.1
69.07072	18.5
70.20541	5.7
70.20961	11.0
71.04984	4.6
75.74664	2.6
79.05496	39.9
81.03419	4.3
81.07062	47.8
83.04982	68.7
83.08627	9.7
85.06545	8.8
91.05479	39.9
93.07045	42.1
95.04961	14.9
95.08599	42.5
97.06525	7.9
97.10191	5.5
99.04442	8.4
103.05511	4.0
105.07036	34.7
107.04956	74.9
107.08600	22.1
109.06529	33.9
109.10150	13.0
111.04444	44.0
111.08079	5.0
113.06020	5.9
117.07030	23.3
119.04966	3.2
119.08579	30.0
121.06519	16.9
121.10136	11.2
123.04446	4.3
123.08069	30.8
123.11723	3.3
125.05983	8.4
128.06221	4.7
129.07018	11.0
131.08591	21.9
133.06523	13.7
133.10158	15.7
133.15883	3.0
135.08054	28.1
135.11696	13.5
136.57040	2.8
137.05981	5.2
137.09630	10.5
141.06995	4.4
143.08540	6.7
145.06525	8.0
145.10106	22.1
147.08070	17.7
147.11705	9.7
149.05992	11.0
149.09622	11.0
149.13284	6.1
151.07530	6.9
151.11110	3.9
153.09131	3.1
155.08562	9.2
157.10143	8.3
159.08092	24.6
159.11688	9.8
161.09636	14.5
161.13243	6.3
163.07574	8.5
163.11201	15.6
165.09108	7.6
169.10161	5.9
171.11731	9.9
173.09666	9.1
173.13287	6.4
175.11165	6.1
177.09154	7.6
177.12775	19.2
178.13544	5.6
179.14310	38.4
181.10022	3.0
183.11676	5.6
185.09555	4.4
187.11174	4.9
187.14885	8.6
189.12807	6.7
197.13240	4.1
199.11148	4.8
205.15857	11.9
209.13109	2.8
211.14856	6.3
215.14304	18.6
215.17915	4.4
225.16357	5.0
233.15358	65.6
243.17534	14.1
253.15910	4.3
261.18475	34.0
262.19409	3.6
265.18076	3.7
271.16913	26.8
278.37274	2.9
289.17999	100.0
303.19888	5.9
303.23114	33.7
321.20764	6.9
321.24194	69.6
330.05826	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	321.1808
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	1.6
55.65579	0.8
57.42225	0.9
67.05503	1.7
69.03431	1.0
69.07059	2.3
69.62244	4.8
72.55382	0.8
79.05497	1.9
81.07048	3.5
83.08633	1.2
85.06510	0.9
86.09707	94.2
87.10034	1.9
88.40374	0.8
88.64651	0.7
91.05485	1.1
93.07059	3.3
95.04988	2.6
95.08595	3.9
97.10152	1.6
103.05473	3.3
105.07030	1.6
107.04954	1.5
107.08614	4.0
109.06490	0.9
109.10150	3.7
119.08633	2.0
120.08106	100.0
121.08443	1.7
121.10159	3.3
123.11712	0.9
128.10715	47.8
129.11095	0.9
131.04926	1.4
133.10175	1.2
135.11618	1.0
137.09515	0.9
147.11621	1.0
149.05969	1.6
149.13370	1.0
156.10204	14.7
165.09097	0.9
165.12750	0.8
166.08644	57.7
167.09023	2.3
179.10846	0.7
303.23135	1.1
321.24420	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1546
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01865	4.9
55.05509	9.6
56.47509	3.5
57.03434	5.1
60.05647	6.8
63.17744	3.9
65.03922	5.4
67.05499	16.8
67.85799	3.5
69.03429	26.8
69.07070	13.7
70.06592	49.3
70.96171	8.2
71.04989	23.0
79.05492	19.3
81.07061	46.4
83.04977	23.1
83.08619	4.1
85.06549	14.1
86.06057	24.8
86.09736	4.6
87.01206	3.7
91.05484	33.7
93.07048	25.5
94.06594	8.0
95.04974	27.1
95.08605	24.3
96.08134	5.0
97.02888	11.0
97.06516	20.5
99.08069	6.9
101.06035	7.5
105.07044	36.3
107.04967	10.8
107.08597	26.5
109.06522	44.3
109.10142	12.7
110.07187	5.9
111.05598	5.0
111.08080	9.9
113.05997	22.8
114.05541	7.3
115.03916	5.7
116.07114	8.8
117.06981	7.8
119.04941	24.5
119.08595	17.1
120.08115	15.5
121.06527	7.5
121.10148	14.4
122.06030	62.2
123.04397	4.2
123.08056	5.6
123.11722	4.5
123.46584	4.0
124.07601	13.2
125.06047	5.9
127.07545	14.7
128.08186	17.7
129.06941	5.4
131.08560	10.1
133.10129	23.2
134.05997	6.4
135.08162	4.6
135.11717	8.9
136.07587	55.4
137.05997	9.5
141.05440	6.0
141.09082	5.4
143.08557	4.8
145.10123	11.9
147.04416	53.3
147.11681	14.9
149.13258	4.9
150.05515	33.4
151.11192	9.4
152.07074	26.3
154.08652	7.3
155.07004	3.9
156.07692	15.0
157.10109	14.2
159.06554	16.6
159.11702	8.3
160.11232	10.2
160.13332	4.8
161.05864	4.1
161.09650	6.2
162.05490	6.0
163.11201	10.7
164.07043	44.4
165.12769	8.6
168.06587	12.8
172.07608	5.0
174.08739	61.7
175.11171	25.0
182.08144	9.6
187.12346	20.9
188.10806	4.3
193.12259	17.4
195.13921	4.8
198.09195	5.8
203.10722	13.9
211.13168	21.1
212.10881	5.0
215.11832	29.3
216.10315	10.2
217.09846	8.4
221.11688	23.2
228.08879	10.5
233.15265	4.9
239.12823	31.0
243.11253	16.4
252.67667	4.3
257.13913	32.7
259.10913	7.2
261.12335	38.9
262.10733	5.6
267.12140	8.5
275.14191	4.3
277.11887	4.8
285.09308	3.8
285.12332	73.4
303.13406	36.4
321.15518	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	321.1545
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.05499	8.6
56.05030	6.9
57.07041	6.3
60.05648	6.1
65.61909	5.5
67.05503	36.4
69.03434	30.5
69.07055	10.5
70.06593	43.4
70.83554	4.8
70.96908	13.5
71.04986	26.6
72.08154	4.9
76.41694	4.1
79.05068	4.8
79.05486	19.5
81.07065	61.8
83.04974	36.2
85.02901	9.3
85.06530	21.8
86.06068	32.0
86.09723	5.1
87.04491	5.3
91.05489	33.5
93.07037	35.4
94.06566	12.3
95.04961	31.2
95.08601	32.4
96.08140	8.4
97.02892	16.5
97.06508	26.7
99.04492	5.2
99.08103	10.4
103.05482	6.0
105.07032	51.1
107.04951	13.4
107.08598	31.9
108.04510	6.6
109.06512	43.5
109.10162	20.1
111.05590	6.7
111.08103	10.1
113.06005	21.6
114.05521	9.4
115.05521	5.6
117.06997	8.6
117.62990	6.0
119.04942	15.1
119.08585	20.9
120.08098	23.9
121.06522	12.3
121.10172	11.7
121.33862	4.9
122.06035	96.4
123.08077	23.1
123.11711	4.6
124.07611	13.4
127.07557	20.0
128.08192	24.2
129.07025	7.2
131.04984	4.7
131.08556	14.1
133.06476	9.5
133.10138	22.0
135.07996	5.4
135.11693	13.0
136.07574	81.6
137.05992	8.1
141.05479	14.0
141.09064	7.9
142.07777	11.2
145.10141	13.4
146.06049	6.6
147.04407	47.6
147.11688	24.8
149.13184	5.6
150.05484	58.4
151.07552	6.7
151.11209	12.1
152.07103	26.1
154.08559	7.1
156.07721	15.2
157.10110	16.3
159.06490	32.0
159.11736	11.1
160.11229	20.2
160.13321	5.8
161.09645	9.3
162.05548	5.5
163.11188	7.6
164.07076	66.8
165.12761	6.7
168.06549	14.0
170.09627	5.6
172.07597	8.0
173.08104	7.8
174.05641	5.7
174.08746	80.7
175.11198	37.5
176.16481	4.8
177.12738	8.8
179.55768	4.9
182.08087	10.6
185.08159	5.5
185.09648	7.0
187.12270	24.5
188.10677	6.7
193.12253	37.1
198.09154	5.1
198.22395	6.1
200.09332	5.5
203.10632	23.0
211.13268	31.1
212.10780	9.1
215.11790	32.9
216.10323	13.5
217.09877	5.2
221.11734	37.1
228.08911	9.4
239.12805	52.4
243.11261	20.0
257.13687	39.5
261.12341	46.1
262.10855	4.8
267.12268	14.2
275.14630	9.0
285.09079	8.3
285.12296	80.7
303.13306	40.8
321.10770	10.6
321.15439	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	321.1446
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03961	0.5
55.05513	1.4
57.07065	0.4
65.03948	0.5
66.67921	0.4
67.05508	10.2
69.03423	0.6
69.07077	1.9
70.11692	0.4
70.86053	1.4
71.05004	0.6
73.35571	0.4
75.31345	0.4
77.03910	0.4
79.05503	1.6
80.04479	0.4
81.07058	5.1
83.04977	0.6
83.08625	0.8
85.06558	0.5
91.05479	1.8
93.07039	3.1
94.06574	9.4
95.04986	1.8
95.08604	2.8
97.06531	1.1
97.10175	0.6
99.08115	0.6
105.07040	1.4
107.08599	2.6
108.08131	0.5
109.06498	1.9
109.10155	6.0
111.08072	0.8
119.08566	1.0
121.06528	0.5
121.10145	1.8
122.06036	30.2
123.08119	0.5
123.11691	2.1
125.09602	0.6
131.08574	0.5
133.10133	0.7
135.07991	0.5
135.11705	1.1
136.07584	54.3
137.07892	0.6
137.09593	0.6
138.05534	0.5
139.11192	0.6
140.07069	1.0
145.10156	0.7
147.11682	1.1
149.13258	0.7
151.11206	0.7
153.12779	0.7
159.11699	0.8
161.13257	0.7
163.11166	0.6
164.07074	100.0
165.07397	1.9
165.12740	0.6
173.13318	0.5
182.08136	83.0
183.08447	1.2
198.22575	0.4
223.13620	0.4
243.11388	0.5
251.12912	0.5
269.20197	0.4
285.12488	0.6
299.92670	0.4
303.13351	1.0
303.23273	2.1
303.26358	0.4
304.11725	0.8
321.14331	0.7
321.24301	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05498	2.7
57.07058	0.9
57.75138	0.8
58.06586	1.2
64.32358	0.7
67.05510	5.4
69.03420	3.8
69.07055	2.0
70.06580	3.7
71.04991	2.0
71.58849	1.7
72.08121	1.7
79.05475	4.9
80.05005	1.0
81.07060	8.4
83.04973	4.1
84.08150	1.1
85.02902	1.8
85.06559	1.8
86.06049	2.3
87.04427	1.1
91.05469	5.6
93.07040	6.0
94.06554	4.8
95.04965	4.9
95.08604	4.2
96.08130	4.1
97.02870	2.3
97.06531	7.5
98.52248	0.8
105.07025	6.5
106.06564	1.4
107.04948	1.5
107.08599	4.5
108.04476	2.5
108.08105	1.2
109.06533	5.6
109.10168	1.5
110.06004	3.0
111.04437	1.3
111.08070	1.0
113.05986	2.4
115.03883	1.2
115.05463	0.9
117.06992	1.0
119.08551	1.9
119.15599	1.0
120.08102	2.3
121.06509	2.1
121.10095	1.6
122.06028	38.3
123.08056	3.2
124.07600	10.9
127.07539	2.5
128.08170	1.4
129.06987	0.9
131.08601	1.7
133.06512	1.5
133.10101	3.0
134.06006	3.3
135.07996	1.1
135.11627	1.2
136.07576	67.8
137.05986	1.8
137.07906	1.0
137.30273	0.7
138.05504	3.7
140.07024	2.3
141.05444	2.1
141.09084	2.1
142.07706	0.9
143.08551	0.9
147.04364	1.4
147.11629	2.5
149.09624	1.0
150.05508	16.2
151.11246	1.2
152.07059	24.8
157.10098	3.2
159.06535	4.5
159.07874	1.5
159.11754	1.0
160.11206	0.9
161.07112	1.0
162.05473	1.4
163.11134	1.3
164.07066	100.0
165.07353	1.9
165.12776	0.9
166.08658	1.7
168.06541	3.3
168.55074	0.8
170.08186	0.9
172.07539	1.6
173.08163	1.4
174.08762	3.6
175.11197	3.9
182.08130	18.1
184.11188	1.1
185.08165	1.0
185.09628	1.0
186.09093	2.7
193.12231	3.1
198.09073	1.7
203.10629	2.3
211.13277	5.8
212.10701	2.6
215.11806	2.0
221.11702	3.8
239.12775	6.0
240.10141	2.2
243.11226	2.9
257.13718	7.3
261.12369	2.8
267.12054	2.9
275.15045	1.1
285.12329	31.9
286.21970	0.9
303.13358	29.5
321.14975	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	321.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.2
55.05498	2.7
57.07058	0.9
57.75138	0.8
58.06586	1.2
64.32358	0.7
67.05510	5.4
69.03420	3.8
69.07055	2.0
70.06580	3.7
71.04991	2.0
71.58849	1.7
72.08121	1.7
79.05475	4.9
80.05005	1.0
81.07060	8.4
83.04973	4.1
84.08150	1.1
85.02902	1.8
85.06559	1.8
86.06049	2.3
87.04427	1.1
91.05469	5.6
93.07040	6.0
94.06554	4.8
95.04965	4.9
95.08604	4.2
96.08130	4.1
97.02870	2.3
97.06531	7.5
98.52248	0.8
105.07025	6.5
106.06564	1.4
107.04948	1.5
107.08599	4.5
108.04476	2.5
108.08105	1.2
109.06533	5.6
109.10168	1.5
110.06004	3.0
111.04437	1.3
111.08070	1.0
113.05986	2.4
115.03883	1.2
115.05463	0.9
117.06992	1.0
119.08551	1.9
119.15599	1.0
120.08102	2.3
121.06509	2.1
121.10095	1.6
122.06028	38.3
123.08056	3.2
124.07600	10.9
127.07539	2.5
128.08170	1.4
129.06987	0.9
131.08601	1.7
133.06512	1.5
133.10101	3.0
134.06006	3.3
135.07996	1.1
135.11627	1.2
136.07576	67.8
137.05986	1.8
137.07906	1.0
137.30273	0.7
138.05504	3.7
140.07024	2.3
141.05444	2.1
141.09084	2.1
142.07706	0.9
143.08551	0.9
147.04364	1.4
147.11629	2.5
149.09624	1.0
150.05508	16.2
151.11246	1.2
152.07059	24.8
157.10098	3.2
159.06535	4.5
159.07874	1.5
159.11754	1.0
160.11206	0.9
161.07112	1.0
162.05473	1.4
163.11134	1.3
164.07066	100.0
165.07353	1.9
165.12776	0.9
166.08658	1.7
168.06541	3.3
168.55074	0.8
170.08186	0.9
172.07539	1.6
173.08163	1.4
174.08762	3.6
175.11197	3.9
182.08130	18.1
184.11188	1.1
185.08165	1.0
185.09628	1.0
186.09093	2.7
193.12231	3.1
198.09073	1.7
203.10629	2.3
211.13277	5.8
212.10701	2.6
215.11806	2.0
221.11702	3.8
239.12775	6.0
240.10141	2.2
243.11226	2.9
257.13718	7.3
261.12369	2.8
267.12054	2.9
275.15045	1.1
285.12329	31.9
286.21970	0.9
303.13358	29.5
321.14975	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	321.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.3
55.05505	3.7
57.07074	1.1
60.48159	0.9
65.03940	1.4
67.05505	16.6
69.03421	3.2
69.07059	5.8
69.46660	4.2
69.47088	3.8
71.04996	2.4
79.05482	5.2
81.03432	1.3
81.07059	17.4
83.04975	2.2
83.08637	2.2
85.02897	1.6
85.06543	2.3
91.05484	3.8
93.07037	10.6
94.06567	8.4
95.04965	5.3
95.08608	11.0
97.02876	2.2
97.06544	1.9
97.10125	1.1
105.07049	6.9
107.04983	1.0
107.08589	9.6
109.06506	3.8
109.10163	13.5
110.06113	0.8
111.08103	1.6
116.98610	0.9
119.08587	4.2
120.08062	1.6
121.06526	1.1
121.10171	6.2
122.06032	33.3
123.08060	1.9
123.11699	5.0
125.09621	1.5
130.53893	1.1
131.08546	1.8
133.10153	2.1
135.08072	1.8
135.11670	4.2
136.07581	55.1
137.06036	0.9
137.07912	1.5
137.09630	1.8
137.13213	0.9
138.05525	1.4
138.09149	1.6
139.11166	1.9
140.07094	1.6
143.08521	1.1
145.10097	2.5
146.06046	1.1
147.11725	3.0
149.09610	1.8
149.13281	1.6
151.11209	2.5
152.36864	0.9
153.12689	1.2
155.10698	1.1
159.11661	1.3
161.09573	1.0
161.13206	1.2
163.11145	1.6
163.14903	0.8
164.07065	100.0
165.07448	2.3
165.12732	1.3
165.84233	0.9
166.08707	1.3
180.59706	0.8
182.08128	82.8
183.08499	1.7
188.07001	1.5
217.67293	0.8
219.05553	0.8
258.11240	1.2
259.14426	2.9
290.09146	1.1
303.13367	2.8
303.23184	5.2
315.76947	0.9
321.14352	2.5
321.24219	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	321.0666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.6
55.01865	3.4
55.05489	3.3
56.05026	5.3
56.96563	46.5
57.03409	5.3
61.02911	11.5
61.10654	3.4
67.05486	4.1
69.03431	16.3
69.95451	18.4
70.06583	7.0
73.02897	5.8
74.06068	3.5
81.03419	4.5
81.07069	4.3
84.04469	5.1
84.08157	4.5
85.02910	23.5
85.06535	3.9
85.07661	11.9
86.09703	4.4
91.05458	3.0
94.06615	3.3
97.02875	10.0
98.20728	3.6
98.97105	3.2
98.97591	31.8
101.00887	15.2
109.02825	6.1
110.97570	6.2
113.00819	4.0
113.10751	3.9
115.02407	8.3
116.98635	25.1
119.01923	100.0
127.03909	8.0
128.02306	4.7
128.98582	13.0
131.00175	4.2
131.01906	35.3
132.95665	3.3
133.01714	9.4
133.03439	27.6
134.99689	15.1
135.05040	8.1
137.02968	33.1
142.03543	3.2
143.01883	10.4
145.03439	9.5
146.99637	16.0
147.03278	6.3
149.01207	5.4
149.02933	7.6
151.02670	3.4
151.04526	7.1
155.01894	9.2
157.03522	3.8
158.99657	14.0
159.03175	4.5
159.05125	8.1
159.11296	4.6
161.01222	7.9
161.02980	18.0
163.02644	4.0
165.00685	8.3
168.99844	7.6
171.05055	10.8
173.02934	34.5
174.99141	4.1
175.04576	4.5
177.00772	20.8
177.02264	6.3
177.04323	14.5
177.05934	5.9
184.07654	3.8
185.02948	5.1
187.00903	34.3
189.00700	7.6
189.02412	14.3
189.06062	12.4
191.04013	18.6
193.00162	7.9
195.01775	3.7
195.05362	8.0
196.99223	5.9
201.00731	5.3
201.02419	25.0
203.03946	9.3
205.01860	17.1
211.01180	3.8
213.02397	10.4
213.04257	3.5
215.00374	42.1
219.01651	13.8
219.03503	87.7
219.05188	3.7
221.05078	8.0
223.04704	19.2
228.99895	3.7
229.01888	18.9
231.03477	16.9
231.05336	6.7
233.01462	5.6
233.05099	18.4
237.02756	26.8
247.03008	63.8
249.04321	8.1
249.06659	17.2
259.04807	4.8
261.04654	7.3
261.08170	10.3
265.04105	18.3
270.04526	7.5
277.05887	10.5
279.03693	4.9
279.09302	21.2
289.03973	12.4
295.07019	14.0
300.75797	3.5
302.11087	4.0
321.06512	13.2
321.09857	43.7
322.05475	17.0
339.09857	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	321.0667
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	23.3
57.03440	2.9
61.02911	4.7
67.05528	2.0
69.03411	5.8
70.10705	8.7
71.04964	2.3
73.02905	3.6
74.97614	2.0
77.00893	2.4
79.44582	1.8
81.03410	2.7
82.99876	3.2
85.02898	7.8
86.09670	2.3
94.06543	2.3
96.08110	3.2
97.02889	6.1
98.97580	16.7
99.04471	1.9
101.00880	20.7
110.97600	3.9
113.00873	3.7
113.10762	13.2
115.02420	12.6
116.98627	13.1
117.04054	2.3
119.01916	100.0
127.03873	3.8
128.98601	5.7
129.03961	3.5
131.00142	3.9
131.01884	20.2
133.03471	33.9
134.99637	5.7
135.05011	4.3
137.02940	30.8
141.10239	7.1
142.03487	3.1
143.01898	7.5
144.99832	4.0
145.03462	9.7
145.04932	2.2
146.99643	6.6
147.05037	4.9
149.02927	4.9
151.04532	9.1
155.01878	4.6
155.30310	2.0
157.03482	5.4
158.97382	2.4
158.99644	9.6
159.01363	3.0
159.03232	2.5
159.05014	6.1
161.01590	3.4
161.02948	24.1
163.04352	3.7
165.00764	2.1
168.99794	13.1
171.01433	5.2
171.05017	6.2
173.02930	18.8
175.04556	9.9
177.00774	9.7
177.02237	3.2
177.04294	9.0
177.05991	4.4
186.73209	2.5
187.00862	39.7
189.00859	3.3
189.02429	19.6
189.06081	7.9
191.02353	3.9
191.03993	21.0
193.00175	3.0
195.05374	5.8
196.99298	5.8
201.00755	2.4
201.02408	8.8
201.04199	3.8
201.06035	5.0
203.03955	4.0
205.01945	16.0
209.02792	2.1
210.02393	3.0
215.00371	49.4
219.01732	12.4
219.03572	16.1
219.05446	3.8
221.05066	11.0
223.04895	4.7
229.01898	18.9
231.03474	5.4
233.01367	6.3
233.05078	22.8
234.99092	3.4
237.02756	20.0
247.02985	79.2
249.04414	4.9
249.06683	2.9
261.04669	4.2
261.08185	9.9
265.04065	17.5
270.04550	2.4
279.06027	3.8
279.09158	17.2
289.04086	13.4
295.06982	2.3
307.05219	4.3
321.06570	14.1
321.09863	28.9
339.09528	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	320.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05516	5.8
56.96568	2.8
57.07067	5.8
58.70511	2.2
62.05789	5.2
62.06093	100.0
67.05515	15.2
69.07060	9.2
70.06564	8.2
71.61211	3.7
79.05505	19.6
81.03379	3.0
81.07048	16.2
83.08595	5.5
85.06547	3.2
88.07619	7.7
89.07964	4.5
91.05489	14.8
93.07047	23.6
95.08612	15.9
102.09166	4.8
103.09489	2.9
105.07042	15.9
107.08613	15.1
109.10160	7.4
111.08131	2.6
119.08577	18.5
121.10157	9.8
129.06952	3.5
130.08604	3.6
131.08572	6.9
133.10130	9.5
135.08012	3.2
135.11667	14.5
140.54382	3.0
141.33109	2.6
143.08612	5.6
144.51810	2.7
145.10104	3.7
147.11705	8.9
149.13235	10.0
152.07826	2.7
159.11659	3.2
161.13313	8.5
163.14836	4.9
165.12778	3.5
173.13319	3.5
175.14801	16.0
191.03444	3.1
217.19594	6.2
223.00529	3.7
231.21085	3.2
236.51276	2.8
241.19557	7.7
256.26398	5.0
257.26566	5.2
258.27008	24.4
259.20581	17.4
277.21701	2.8
303.23117	3.9
312.97665	2.6
320.22278	3.5
320.25867	57.1
320.30627	69.7
321.07724	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	319.2265
Annotation	5-Hepe
Peak:m/z	Relative Intensity
55.05512	7.0
67.05491	9.5
69.03416	2.8
69.07079	14.4
71.41003	6.4
79.05483	7.6
81.07048	12.1
83.08611	5.2
85.06554	4.8
86.03374	2.3
86.95336	2.4
87.04464	3.0
87.60557	2.3
91.05472	10.1
91.27332	2.1
93.07038	16.2
95.04952	4.1
95.08603	16.3
97.06502	9.2
97.10174	3.1
99.04432	2.9
105.07016	18.5
107.08591	13.1
109.10126	13.6
113.06009	6.0
117.07050	3.6
119.08581	100.0
121.10145	11.4
123.08006	3.5
123.11667	2.8
131.08557	7.2
133.10132	22.1
135.11684	5.9
143.08583	6.2
145.10104	10.0
147.11671	14.0
149.09604	3.4
149.13242	15.6
157.10153	8.7
159.11681	13.3
161.13242	6.0
163.14818	7.8
171.11707	9.2
173.13272	5.8
185.13261	11.1
187.14812	21.5
189.12708	3.1
189.16373	40.0
199.14806	3.4
201.16415	27.6
203.17996	4.2
213.12764	3.1
217.12244	3.1
227.14392	2.7
231.13727	7.6
239.18031	3.5
241.19518	5.2
255.21095	6.4
257.26764	3.0
269.81641	2.9
271.20575	3.6
283.20605	6.7
301.21570	29.1
319.18918	4.8
319.22388	21.4
319.30417	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	319.2268
Annotation	5-Hepe
Peak:m/z	Relative Intensity
55.05517	9.4
57.07078	5.3
67.05496	15.6
69.07064	15.2
70.02131	17.9
71.04979	5.2
79.05505	10.3
81.07066	40.2
83.04971	4.2
83.08623	7.3
88.25810	3.8
91.05474	14.5
93.07049	20.6
93.14542	3.7
95.04984	6.7
95.08621	39.2
97.06545	10.2
105.07048	33.0
107.04958	6.3
107.08598	16.9
109.10175	24.3
111.08072	4.0
113.06013	5.1
115.03964	4.3
117.07028	8.1
119.08578	84.0
119.09357	6.4
121.10155	14.3
123.11728	17.9
123.58843	3.6
129.07063	4.4
131.08580	20.1
133.10110	19.7
135.08104	7.3
135.11687	6.3
139.96318	3.6
143.08585	7.6
145.10118	20.4
147.11700	15.5
149.13246	16.2
157.10159	14.3
159.08064	7.4
159.11674	19.2
161.09624	5.8
161.13260	7.5
163.07497	5.0
163.14755	6.1
171.11728	14.8
173.09636	13.4
173.13324	7.9
175.14873	6.6
183.11659	3.9
185.13300	17.1
187.11226	11.0
187.14824	17.4
189.12794	4.3
189.16434	33.2
199.14880	5.3
201.12750	6.5
201.16351	25.0
203.14307	6.7
203.17943	5.6
205.12318	4.6
214.66158	4.1
215.14297	7.4
223.14845	5.1
227.14265	5.4
255.21127	12.1
257.26682	5.5
265.19525	17.1
271.20557	5.3
283.20566	100.0
284.20944	6.4
301.21664	62.9
319.22827	20.6
319.30475	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	319.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.9
55.01875	0.6
55.05521	1.4
57.07050	0.6
65.03953	3.3
67.05502	3.8
68.99499	0.6
69.03410	1.0
69.07054	1.8
70.06557	0.6
70.67179	2.2
70.78533	0.6
71.04977	0.7
72.51695	0.6
73.67789	0.6
79.05474	1.3
80.05022	1.3
81.03407	2.9
81.07058	4.9
82.06566	0.7
83.08627	0.7
91.05481	1.7
92.04989	3.9
93.07059	3.1
95.04964	2.3
95.08617	2.1
96.08111	1.5
105.07024	2.2
107.08593	2.9
108.04482	1.7
109.02880	0.8
109.10166	3.3
110.06040	2.1
118.50179	0.6
119.08563	1.3
120.04485	1.8
121.10140	1.8
123.11696	1.9
124.07619	1.5
125.08378	0.8
129.06982	0.9
131.08601	1.2
133.10112	1.0
135.08046	1.4
136.03946	4.9
136.07571	0.9
137.02367	0.6
137.09628	0.8
138.08125	1.3
138.09146	19.0
143.08521	1.1
144.08093	1.1
145.10120	1.8
147.11650	0.8
149.09604	1.8
151.03926	0.7
151.11197	1.2
154.05006	2.5
154.06427	0.6
155.08479	1.1
159.11722	1.2
163.11201	0.6
164.03412	4.9
167.07294	1.5
170.06056	0.7
174.12933	0.8
176.03491	1.6
179.10661	1.7
182.04509	13.1
182.06058	1.4
182.08151	1.1
182.09653	1.5
183.09242	0.8
184.11171	1.6
185.07088	0.9
196.09959	1.1
199.08632	1.5
199.12381	1.0
200.09410	1.1
201.10101	0.7
201.13919	6.0
202.12262	0.9
209.10822	0.7
210.09169	1.3
211.08777	1.3
211.12292	1.3
212.09183	1.0
212.10930	1.0
213.14012	0.7
214.12262	1.9
227.08093	1.4
227.11754	2.9
228.08951	2.3
229.09769	1.6
229.13362	34.9
230.11584	0.7
230.13655	1.5
238.08575	1.4
239.08089	0.8
239.11813	1.0
255.07619	0.9
255.08810	0.7
255.11356	6.8
257.12866	19.4
258.11078	1.5
260.36200	0.7
272.07895	1.8
273.12421	6.8
274.12659	0.8
283.10727	7.6
284.09116	11.4
284.11844	1.0
291.13315	1.3
301.11838	24.5
301.21436	1.4
302.10037	0.8
319.12897	100.0
319.22690	4.0
320.13144	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	319.129
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64241	1.0
55.01869	1.7
55.05507	4.2
56.05031	2.0
56.96565	1.7
57.03425	2.7
57.07093	1.3
65.03953	1.3
67.05511	6.7
69.03426	3.5
69.07070	11.2
69.93878	3.8
70.06590	2.6
71.04990	2.6
72.08150	1.7
74.06088	1.9
76.20080	1.0
79.05492	6.3
81.03419	2.2
81.07059	8.0
82.06594	1.4
83.05012	3.1
83.08616	1.8
84.04521	2.3
84.08139	8.3
85.02899	4.2
85.06539	2.0
86.09712	7.2
91.05477	7.5
92.05029	1.1
93.07034	7.3
94.06584	2.5
95.04985	4.0
95.08612	8.5
97.02893	5.9
97.06531	3.5
98.97573	2.5
100.07621	1.2
103.25044	1.0
105.07032	7.4
107.04977	2.5
107.08572	6.0
109.02882	1.7
109.06522	2.9
109.10165	4.9
111.04423	2.1
111.08062	2.1
113.06011	1.0
116.98663	1.9
117.07070	2.1
118.06606	1.1
119.08607	5.5
120.08114	3.1
121.06512	2.2
121.10149	5.9
122.06037	5.4
123.08057	3.0
123.11719	1.7
124.07590	3.9
126.09168	3.5
127.03895	1.8
129.07002	1.2
129.10243	1.5
131.07562	0.9
131.08536	2.4
132.08102	1.2
132.10199	2.2
133.06517	1.1
133.10159	4.7
134.05986	1.7
134.99722	1.6
135.04417	2.9
135.08080	2.3
135.11725	1.2
136.07590	2.5
137.05952	1.5
137.09618	1.7
138.05516	4.0
138.09114	7.6
139.11206	2.6
140.07076	15.7
141.06981	1.1
143.08571	1.2
144.08086	2.2
145.09000	1.0
145.10124	3.2
146.06030	1.5
146.99643	1.5
147.08032	1.5
147.11679	2.4
149.09691	1.3
149.13428	1.3
150.05563	1.5
152.07022	1.7
155.08609	1.0
157.12250	2.6
158.09746	1.4
160.07622	1.7
161.09677	1.4
162.05481	4.9
163.11131	1.7
164.07063	1.4
166.04976	7.6
171.09218	1.7
172.07590	3.5
172.11249	1.2
173.13333	2.1
174.09135	2.0
175.11203	1.5
178.05032	3.5
180.06665	2.5
184.07590	1.1
184.09935	1.7
185.13017	1.4
186.09184	4.3
188.10756	4.0
196.07574	2.7
198.07835	1.4
199.08701	3.1
199.12340	3.1
200.07022	1.5
200.10750	3.9
209.11786	1.3
210.09216	3.3
211.08746	3.9
212.09212	5.1
213.06570	1.8
213.10304	3.8
214.08687	5.3
214.10840	1.9
215.08173	1.4
216.08859	1.1
217.09663	5.1
218.08250	1.3
224.07111	2.4
225.10291	3.3
226.07358	1.8
226.10956	7.0
227.05835	5.5
227.08214	3.5
227.11786	19.2
228.10420	8.4
228.12312	2.3
229.09779	2.8
231.11317	3.4
237.02837	1.4
238.08730	1.1
239.08275	3.2
240.08849	6.7
241.09726	8.4
242.08134	25.9
242.10294	2.1
243.07851	3.1
243.11104	1.4
245.12976	3.6
246.11237	1.9
253.09763	1.6
255.11295	25.3
256.09604	9.7
256.11911	1.3
257.09778	1.2
257.12943	2.1
259.10818	6.8
270.09967	9.0
271.10840	7.2
272.11493	19.0
272.13980	1.2
273.12347	60.1
274.10822	4.3
274.13199	1.4
283.10812	15.2
284.09146	16.2
285.09503	1.6
301.11832	100.0
301.21506	2.1
301.25552	1.7
302.10184	5.3
302.12671	3.4
319.12955	51.0
319.18890	2.1
319.22733	4.9
319.26639	1.8
320.13364	2.3
337.11676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96564	36.7
57.03407	7.5
61.02929	35.9
64.89605	5.0
69.03413	6.5
69.72438	4.5
71.60302	10.2
73.02908	11.2
84.96018	4.6
85.02885	18.2
95.08617	7.3
97.02886	8.0
97.85303	5.3
98.56352	5.2
98.97572	29.7
116.98600	12.5
119.01846	18.3
121.01573	5.1
125.01862	5.3
127.42678	5.3
128.02289	19.9
128.98621	11.0
134.99632	6.9
135.01207	5.8
135.03181	5.1
137.02823	12.0
145.03784	5.9
146.99657	16.1
150.01787	7.2
157.04668	5.4
158.99692	7.7
162.51981	5.5
165.00777	12.0
172.30690	5.7
177.00734	6.3
189.00742	8.4
189.02397	6.2
190.98579	8.8
193.00113	8.0
201.00781	5.5
204.52928	6.5
207.03427	6.1
207.05273	7.7
208.99696	12.2
213.03378	24.5
213.53470	30.5
214.03551	11.8
220.04160	13.4
222.03906	18.3
222.54092	20.0
223.04324	8.2
230.98145	5.9
233.54840	6.4
301.09000	6.9
319.10495	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	319.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98114	3.8
56.96567	46.2
57.03426	12.5
61.02925	53.4
67.65961	3.8
69.03426	11.0
69.07085	4.6
71.58826	8.4
73.02922	9.1
74.52146	4.1
77.00826	3.7
78.11169	4.2
84.08102	5.2
85.02061	4.1
85.02910	23.9
86.03239	4.8
88.14239	4.8
97.02912	7.8
98.97582	20.1
100.99095	3.9
107.08579	5.2
110.01295	6.9
116.98641	18.3
118.01030	5.2
119.00248	5.8
119.01854	21.2
127.03920	14.7
128.02318	28.3
128.52489	8.7
128.98611	17.9
131.01781	6.2
132.19875	3.9
133.03421	5.3
134.99651	12.2
135.01271	3.8
135.03111	4.9
135.11713	4.2
137.02853	15.1
142.96582	8.3
146.99629	21.3
149.01236	5.4
150.01721	5.9
156.53743	9.7
158.99632	5.1
160.97551	4.5
161.01218	5.1
161.02951	8.3
162.01866	6.7
165.00760	12.4
169.02394	5.9
173.03061	4.5
174.99142	4.3
177.00752	11.3
178.03246	4.4
183.02327	7.5
188.97156	6.6
189.00742	9.7
190.98645	15.7
191.04013	4.1
192.53079	7.9
193.00243	10.9
198.02904	5.1
199.03746	6.2
202.98679	3.8
204.02744	8.0
204.53081	4.7
205.00288	5.8
206.97923	4.8
207.01688	7.0
207.05231	6.6
208.99634	22.4
213.03369	38.8
213.53587	32.0
214.03600	7.3
219.01758	7.8
220.02371	11.3
220.04195	20.7
222.03897	22.7
222.54120	10.9
223.04051	5.6
226.02316	5.8
228.56000	8.3
229.04636	5.7
232.99646	5.2
233.54677	6.7
234.04886	4.4
235.02893	6.6
237.02814	4.4
237.06219	5.0
237.56386	11.0
246.53745	4.1
301.21506	5.7
319.10501	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	319.079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66989	8.0
55.01872	8.9
56.96556	57.4
57.03425	23.3
61.02924	65.7
69.03430	20.5
70.05673	40.6
73.02924	39.5
73.03255	7.1
82.92221	7.0
83.00764	10.5
84.08131	14.9
85.02902	51.9
97.02878	27.1
98.97591	75.6
100.99129	7.8
104.01313	7.9
110.01284	15.8
110.51293	7.3
110.97535	14.0
116.98632	49.3
117.01978	8.3
119.01817	39.2
124.73350	6.8
127.03890	23.7
128.02299	62.1
128.98627	36.1
129.10225	11.4
131.00133	14.9
134.99623	9.1
135.03108	16.6
137.02834	30.2
141.01331	9.3
143.00157	10.2
144.03607	16.3
146.02266	7.1
146.99675	28.9
149.01212	15.2
155.02818	15.3
156.03622	20.9
156.53807	14.7
158.99641	30.8
160.97496	9.6
161.01237	10.4
165.00739	13.7
169.02592	12.2
170.99670	10.6
175.02727	9.0
177.00726	23.1
189.00684	21.7
192.02847	15.1
193.00186	14.6
193.03595	9.6
199.03630	14.8
201.00728	14.4
207.01778	11.1
207.05263	32.9
208.99684	17.0
213.03394	93.8
213.53639	21.9
217.00153	8.4
219.01733	18.1
220.02280	12.1
220.04190	58.1
221.04938	9.4
222.03941	30.3
228.03510	8.3
228.05779	14.9
228.55911	28.5
229.04579	56.2
233.54672	8.6
237.02744	11.0
237.06177	10.7
237.56378	15.5
279.03873	12.8
301.08884	8.7
319.07806	100.0
319.10333	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	318.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44815	1.7
55.01874	3.7
55.05502	3.8
56.96570	1.7
57.03421	2.9
60.04520	4.3
60.09729	1.5
61.02925	3.6
63.47049	1.6
67.05497	4.7
68.81162	1.8
69.03448	8.6
69.07075	11.1
70.06573	6.1
70.07368	2.2
70.55479	5.8
71.04985	3.6
72.08155	8.6
73.02921	2.0
74.06082	1.6
79.05473	5.1
81.03407	4.0
81.07047	6.2
82.06561	2.6
83.04974	2.1
84.08157	1.9
85.02912	21.5
86.09711	21.1
87.04486	1.9
87.05607	1.9
91.05492	3.3
93.07028	5.9
94.06543	3.5
95.04946	4.8
95.08617	7.3
96.04459	3.1
96.08119	3.3
97.02886	9.7
97.06521	5.5
98.97578	3.5
99.04459	2.5
103.05468	1.6
103.80507	1.9
105.07018	3.6
107.08558	3.9
109.10181	2.0
110.06022	3.0
110.09663	2.6
111.04410	1.9
111.08096	1.7
115.05580	1.8
116.98662	2.2
120.08073	3.8
121.06493	8.5
121.10143	2.6
123.04442	1.8
124.07619	4.2
126.09132	11.2
127.03894	6.8
130.06554	2.5
131.08585	1.8
133.10072	2.1
137.06036	1.6
138.05484	4.2
138.09131	24.4
139.07588	3.0
140.07039	1.7
145.04974	10.0
153.06952	3.7
155.08504	2.5
156.10204	100.0
157.08707	2.2
157.10524	4.1
157.12157	1.7
159.11334	5.7
165.06941	11.6
166.05057	2.4
169.06537	2.6
173.12866	7.0
177.00621	2.1
177.06987	4.9
181.06509	5.0
183.08032	24.0
184.08533	2.0
184.10019	1.7
187.14449	2.4
191.08603	4.6
193.06433	3.5
195.07990	4.5
198.11279	1.9
199.08551	2.1
201.12338	3.1
205.11746	2.3
209.05896	9.8
211.07426	11.8
212.15105	1.7
213.10179	2.2
214.08539	2.5
219.08020	5.7
225.10368	2.5
226.10959	4.8
227.06989	3.8
227.11772	6.2
228.10306	2.6
237.05486	14.3
237.09027	11.4
241.08560	5.9
254.11665	4.2
255.06577	35.2
255.11369	6.1
256.06784	2.3
258.68466	1.8
259.09750	2.1
270.09988	10.7
272.09116	15.8
272.11853	7.3
273.09583	2.4
273.12302	9.6
283.06104	3.0
283.10196	6.2
288.10709	2.6
300.12848	2.3
300.20425	2.1
301.07175	3.9
301.11841	61.5
303.12375	1.8
318.09244	15.2
318.15497	11.5
318.21490	7.0
318.26404	2.4
319.12903	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	318.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57948	1.2
55.01873	1.3
55.05510	2.2
56.96561	4.9
57.03423	3.8
57.73757	1.1
61.02919	3.6
65.03932	1.1
65.49252	1.1
66.56013	1.1
67.05503	8.9
68.05029	2.0
69.03423	8.4
70.06596	4.8
70.63936	1.3
70.64259	3.0
71.04971	1.5
72.08153	12.1
73.02917	3.1
74.06105	1.2
76.04003	1.0
81.03419	4.1
83.04947	1.7
84.04508	7.5
85.02906	25.6
86.09706	32.8
87.04456	1.9
87.10036	1.3
93.03368	1.4
93.07034	1.4
95.04979	3.7
95.08618	2.0
96.04488	23.2
97.02884	10.1
97.06580	1.3
98.97546	1.7
99.04449	2.4
102.05558	2.5
107.08572	1.4
109.02867	3.8
110.06032	2.2
110.10481	1.7
111.04464	2.5
113.03491	1.3
114.05484	2.1
116.98630	2.6
119.08567	1.3
120.08072	1.1
121.02854	1.4
123.08022	1.3
127.03905	5.8
128.98628	1.3
129.06598	1.3
134.06030	2.9
134.99620	1.6
136.07549	1.6
138.04436	2.5
138.05505	52.0
139.03874	3.9
143.11824	6.1
145.04964	2.5
148.06084	2.7
152.07048	1.6
155.04637	1.5
156.06558	100.0
158.99597	1.4
160.12106	1.5
167.04535	1.8
168.06546	1.2
171.11328	1.9
174.00830	1.7
177.00726	2.0
180.06548	10.4
185.07455	1.3
185.16513	9.1
197.12886	4.2
198.07605	3.7
199.55078	1.1
204.06627	1.8
213.15961	5.6
215.13991	2.4
219.01787	1.9
221.53615	1.4
222.07657	4.3
225.12354	2.8
227.56802	2.2
234.07588	1.7
234.99036	1.4
237.02834	2.4
237.06918	1.6
273.02979	3.0
300.20346	2.0
303.56393	1.1
318.11887	23.9
318.21439	6.7
319.07080	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
51.65673	3.2
55.05509	12.1
56.96562	6.3
57.07076	4.4
60.76837	3.2
65.03957	3.6
67.05495	23.6
69.03403	6.5
69.07067	18.9
70.53582	10.4
71.04974	4.5
79.05483	13.4
80.76692	2.7
81.07049	30.9
83.05006	3.7
83.08625	11.7
85.06538	5.1
88.07621	3.0
91.05466	17.1
93.07050	26.1
95.04980	5.5
95.08613	36.0
97.02898	4.4
97.06505	21.1
105.07030	56.2
107.08597	35.3
109.06536	7.1
109.10152	42.8
111.04434	12.5
111.08096	7.3
117.07030	9.8
119.08583	47.1
121.06524	7.2
121.10120	20.7
123.08083	8.4
123.11689	16.9
125.06016	8.3
129.07010	6.1
131.08580	16.1
133.06529	3.7
133.10139	27.3
135.08112	6.8
135.11682	12.1
136.03629	2.9
137.09607	22.0
137.13303	3.6
142.07872	4.2
143.08565	10.0
145.10147	21.2
146.99837	3.7
147.04358	3.6
147.08043	9.7
147.11696	18.0
149.05989	6.5
149.09642	8.0
149.13199	5.4
151.07498	4.8
151.11201	8.9
153.01897	4.4
153.09071	3.7
155.08562	5.1
156.09409	3.7
157.10129	19.9
159.08049	4.3
159.11688	17.2
161.09625	7.3
161.13271	11.7
163.14859	11.5
165.09242	3.7
169.10097	17.8
171.11690	12.0
173.09671	4.2
173.13257	12.6
175.07513	4.2
175.14844	10.2
176.95050	3.1
177.09166	4.1
183.11679	14.9
184.12378	3.0
185.13278	5.4
187.11220	8.6
187.14871	6.5
189.12822	6.4
189.16379	4.9
191.10652	6.9
193.08675	4.9
193.12207	4.2
197.13231	10.8
199.14868	6.5
201.12827	5.3
201.16342	4.3
203.10638	3.7
205.12340	6.8
211.11172	4.0
211.14909	6.9
215.10933	3.3
215.14177	3.9
215.18028	6.4
217.12257	6.9
219.13905	12.4
225.12704	4.2
229.12294	7.8
231.13635	3.3
239.17903	15.2
243.13863	7.7
253.19604	5.4
257.19031	7.1
271.20642	10.7
275.20126	11.4
281.19043	10.0
299.20038	58.6
302.04401	4.5
317.06552	15.3
317.18283	4.3
317.21146	100.0
317.24365	4.4
317.32385	10.3
318.20944	4.8
318.24304	24.0
318.30142	8.8
335.18942	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	317.2111
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01858	2.4
55.05515	10.5
56.96547	2.2
57.03416	1.4
57.07074	2.0
65.26218	1.6
67.05180	1.6
67.05507	24.3
69.03415	3.1
69.07067	14.9
70.07349	3.9
70.07740	3.5
71.04993	2.6
79.05488	14.7
81.03403	2.0
81.07059	27.8
83.04955	4.6
83.08630	7.3
85.06528	6.9
90.28883	1.5
91.05489	15.8
93.07044	29.5
95.04952	6.9
95.08602	39.2
97.02861	3.6
97.06538	11.5
97.10162	4.3
105.07027	31.3
107.04955	3.3
107.08595	36.8
109.06528	8.8
109.10155	35.9
111.04453	17.4
111.08054	6.1
117.07021	6.7
119.08580	48.4
121.06494	6.9
121.10141	18.7
123.08058	10.3
123.11710	10.7
125.05943	2.2
129.07008	2.4
131.08560	12.3
133.06503	2.1
133.10135	31.3
134.57626	1.5
135.08061	10.5
135.11694	10.6
137.05977	3.3
137.09607	16.3
137.13197	1.7
139.07552	2.1
142.07816	3.7
143.08575	9.4
144.09312	1.7
145.10121	18.0
147.04396	1.7
147.08044	5.2
147.11693	18.9
149.09567	2.3
149.13260	5.2
151.07538	4.7
151.11171	14.7
155.08554	5.1
156.09264	3.3
157.10149	12.2
159.08008	4.6
159.11697	16.1
161.09592	4.2
161.13269	9.2
163.07524	2.0
163.11166	3.6
163.14828	16.2
165.09116	3.1
165.12727	1.6
168.09407	1.9
169.10153	7.9
170.10843	2.4
171.11674	10.4
173.09607	4.6
173.13278	10.4
175.11258	4.4
175.14769	3.8
177.09010	2.0
177.12849	2.5
178.13524	1.8
179.10678	1.7
183.11765	8.4
185.13263	6.3
187.11241	11.1
187.14839	6.8
189.12723	3.4
189.16258	3.5
191.10638	3.9
191.14197	1.7
193.12309	1.9
197.13251	8.3
199.11159	2.5
199.14827	7.2
201.12729	5.5
201.16338	5.0
203.10635	2.4
203.14375	2.5
205.12247	5.1
205.15915	5.2
211.11241	2.8
211.14851	4.5
213.16389	4.5
215.14337	4.3
215.17944	4.0
217.12231	4.0
219.13846	2.5
225.12793	2.2
227.14291	1.8
227.17836	2.1
229.12271	8.7
229.19463	3.9
231.13692	2.7
237.16354	2.3
239.14322	2.9
239.17981	6.1
243.13870	7.5
245.15300	2.4
245.19006	2.2
253.19496	6.0
255.17574	2.2
255.20987	1.6
257.18924	8.8
259.16962	2.1
261.14944	1.6
271.17014	1.6
271.20609	7.2
275.20099	13.2
281.18997	9.3
299.20071	53.2
300.20380	4.8
317.06622	8.6
317.21121	100.0
317.24451	4.6
317.32394	3.5
318.21457	5.8
318.29950	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
53.03951	1.6
55.01864	5.2
55.05516	9.6
57.07066	6.6
57.63726	1.7
59.04990	4.2
60.04523	12.3
63.73269	1.9
67.05505	41.2
68.95802	1.7
69.03427	4.3
69.07076	8.7
70.06574	4.2
70.20352	8.4
71.04979	3.7
71.08624	2.0
79.05488	8.4
81.07056	27.4
83.04955	3.8
83.08607	5.3
85.06565	4.0
87.04462	2.6
88.07616	7.5
91.05484	13.7
93.07035	21.0
95.04966	18.6
95.08599	25.6
97.06521	7.7
97.10168	1.9
102.09178	3.5
104.75471	1.7
105.07022	13.9
106.07400	1.8
107.04982	3.2
107.08595	38.7
109.06531	14.8
109.10155	70.3
110.10423	1.7
111.04444	4.1
111.08065	3.7
117.06984	5.3
119.08582	45.4
120.08940	2.8
121.06495	4.8
121.10127	11.0
123.08079	17.5
125.06009	2.1
129.07050	2.4
130.07782	2.0
131.08554	7.2
133.06509	4.3
133.10120	13.9
135.08049	10.1
135.11720	4.3
137.06030	12.2
137.09615	62.8
137.47452	2.0
138.09880	2.4
139.07539	2.4
143.08542	5.1
145.10071	9.7
147.08025	4.8
147.11664	8.1
147.50645	1.7
149.09615	6.2
151.07542	40.2
151.11206	3.1
153.05440	4.2
153.09242	2.0
157.10146	5.4
159.11700	6.6
161.09624	7.3
161.13319	4.7
163.11165	4.1
165.09090	3.7
165.12608	2.3
165.43341	2.0
169.10127	2.4
171.11658	5.1
173.13254	3.9
175.11154	2.4
181.08563	3.7
181.12230	3.5
183.11713	2.7
187.11252	2.7
187.14851	2.4
189.12743	16.8
193.12334	2.3
197.13329	3.9
199.11122	2.7
199.14842	2.4
207.13818	17.1
212.02242	2.4
215.14232	3.8
217.12292	3.2
225.12865	2.3
233.15366	2.9
237.14915	4.7
239.17894	2.8
241.10558	2.5
243.13808	6.1
249.03290	2.1
256.26334	12.9
257.19095	2.5
261.14871	4.5
275.20032	2.0
281.19083	4.1
299.20096	15.5
299.27814	2.7
317.06586	5.8
317.21133	100.0
317.28726	13.5
318.21448	6.8
318.30029	25.0
339.37714	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	317.2112
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
55.01872	2.9
55.05516	10.2
56.05852	1.7
57.07084	9.5
59.05006	3.8
60.04531	10.4
63.17496	1.7
66.34391	1.6
66.42279	1.8
67.05170	2.9
67.05507	36.9
69.03419	6.7
69.07048	6.9
70.06589	4.5
70.17530	1.6
70.20107	8.7
71.04983	3.1
79.05506	11.5
81.07059	29.2
83.05000	3.2
83.08602	4.5
85.06539	4.0
87.04474	3.0
88.07622	7.1
91.05485	12.8
93.07068	14.0
95.04969	19.7
95.08614	22.6
97.06526	10.8
102.09153	4.8
105.07022	15.7
107.08607	32.9
109.06538	16.0
109.10161	59.6
111.08038	1.9
113.05959	3.0
117.07025	4.0
119.08585	50.4
121.06503	4.4
121.10155	13.3
123.08086	16.7
123.11719	2.9
131.08574	7.3
133.06480	2.7
133.10129	11.8
135.08043	9.4
135.11702	5.0
137.09619	54.2
139.07489	2.6
143.08572	5.9
145.10126	13.2
146.07341	2.1
147.08080	4.3
147.11662	9.1
149.09612	7.8
151.07556	38.0
155.10634	2.3
156.09296	2.5
157.10138	7.6
159.08069	2.6
159.11700	9.7
161.09586	9.0
161.13217	4.5
163.11229	5.8
165.09116	3.4
167.07085	2.3
169.10207	2.6
170.10912	2.2
171.11723	8.5
173.09654	2.3
173.13237	7.3
175.11205	4.3
175.14809	2.7
177.09026	2.4
177.12709	1.8
181.08563	4.0
183.11705	5.0
185.13249	2.9
187.11229	3.0
187.14853	2.8
189.12738	17.1
191.10626	3.2
191.14313	4.0
197.13315	4.7
199.11230	3.5
199.14816	3.7
201.12625	2.0
205.12186	3.4
207.13792	16.2
211.11189	2.1
211.14813	2.5
213.16426	2.5
215.14256	2.3
221.15392	4.3
223.14789	2.2
237.14867	5.5
239.18022	2.6
243.13892	9.8
256.26382	7.3
259.16852	2.5
261.14856	3.7
271.20569	2.9
281.18942	3.0
299.20026	20.2
299.27792	2.3
317.06677	3.0
317.21121	100.0
317.28790	13.3
318.21530	6.2
318.30063	30.3
339.14682	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	317.211
Annotation	Didemnilactone A
Peak:m/z	Relative Intensity
50.77948	2.3
54.42070	1.8
55.01854	2.8
55.05518	10.8
57.03433	1.8
57.07057	5.6
58.06570	1.9
59.04977	5.3
67.05503	40.5
69.03409	6.4
69.07059	5.1
70.06577	5.2
70.78270	4.7
71.04975	3.5
79.05496	10.5
81.07053	24.9
83.04959	4.4
83.08605	4.8
85.14329	1.6
88.07619	6.7
91.05463	11.7
93.07037	15.4
95.04971	21.1
95.08605	15.4
97.06511	8.3
102.09171	5.6
105.07012	17.1
107.04935	2.1
107.08595	34.3
109.06519	17.1
109.10155	73.5
110.10464	2.3
111.08078	2.1
113.09627	2.1
113.37314	1.6
117.07052	3.1
119.04853	1.8
119.08578	50.1
120.08830	2.1
121.06470	6.2
121.09330	2.1
121.10101	10.0
123.08079	24.2
125.05993	3.0
125.09619	2.8
128.06181	1.5
129.07028	2.6
130.07761	1.9
131.08543	5.4
133.06493	4.4
133.10127	8.4
135.08058	12.4
135.11690	4.2
137.09610	58.6
138.10001	1.6
139.07526	2.3
143.08549	5.6
145.10118	14.1
147.08022	3.8
147.11679	7.3
148.08755	2.7
149.09601	5.1
151.07542	51.1
153.05388	4.2
153.88130	1.7
155.08490	2.5
155.10747	2.2
157.10106	5.0
159.07994	3.1
159.11707	4.8
161.09625	6.7
161.13272	3.0
163.11201	4.5
164.08269	1.9
165.09088	7.0
167.07069	3.2
169.10023	2.1
171.11674	4.7
173.09599	4.5
173.13290	2.9
179.10719	2.1
181.08603	5.3
181.12125	2.8
183.11716	3.6
185.13240	2.0
187.11220	2.5
189.12744	21.6
191.14351	1.8
197.13231	2.7
199.11140	3.6
203.14320	3.5
203.18692	1.7
207.13797	23.5
211.14864	2.2
213.16406	1.7
215.14241	3.4
217.12288	2.0
221.15356	5.4
223.14899	2.5
225.12766	1.7
233.15385	4.0
237.14854	5.9
243.13815	9.9
256.26343	13.7
261.14926	6.0
262.14447	1.7
281.18945	4.0
299.20074	12.9
317.21103	100.0
318.21506	7.7
318.30035	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.5
55.01875	1.1
55.05507	5.2
56.05028	2.7
56.05847	1.2
57.03434	1.8
57.05355	0.7
57.07072	1.8
60.04521	5.3
61.02914	2.2
65.03928	1.0
67.05173	1.0
67.05502	10.6
68.05841	1.5
69.03426	6.4
69.07060	8.4
70.06580	1.6
70.07394	1.3
71.04984	2.2
71.60937	1.1
71.71892	0.8
73.02913	1.4
79.05499	8.1
80.05821	1.2
81.03429	1.9
81.07056	59.8
82.06583	1.4
82.07380	2.2
83.04982	1.7
83.08633	3.3
84.08927	0.8
85.02905	36.2
85.06532	1.9
86.06057	2.5
87.04431	0.7
91.05476	5.5
93.07047	9.3
95.04961	2.4
95.08051	1.4
95.08608	17.9
96.08121	0.8
96.08946	2.2
97.02897	6.9
97.06532	2.5
97.10174	1.6
99.04478	1.7
101.06010	0.7
103.03918	1.1
105.07037	7.3
107.04953	0.8
107.08598	12.1
108.08927	0.7
109.02872	3.5
109.06512	3.2
109.10152	9.2
110.10496	0.9
111.04433	2.8
111.08083	1.7
114.09135	0.9
115.03922	0.8
117.07018	1.5
119.08572	9.2
121.06548	0.8
121.10162	5.9
123.08061	1.9
123.11703	2.7
125.09626	1.0
126.21973	0.6
127.03911	9.6
127.07543	0.7
129.05467	1.4
131.08539	3.4
133.06531	1.1
133.10144	6.4
135.08043	2.6
135.11705	5.8
137.09642	3.7
137.13251	20.4
143.08559	3.1
145.04958	10.9
145.10132	4.8
147.08028	0.9
147.11684	4.1
149.09589	1.3
149.13264	2.2
151.07544	1.4
151.11224	2.2
157.10143	2.7
159.08064	1.1
159.11679	4.3
161.09590	2.0
161.13249	1.9
163.06021	8.1
163.11188	1.5
163.14818	1.8
165.09099	1.6
165.12793	1.2
167.08551	0.9
171.11667	2.4
173.13258	1.9
175.14742	1.3
177.12704	1.6
183.11792	1.1
185.13252	1.6
187.11203	2.3
187.14786	1.2
189.09164	0.9
189.12712	1.6
197.13240	1.1
199.14833	1.0
201.12766	1.5
203.14380	0.8
205.12262	1.1
209.94318	0.7
211.14738	1.2
215.18062	0.9
225.16574	0.7
233.15370	1.0
236.23689	1.8
237.24057	15.0
245.15417	1.5
251.25642	1.5
255.25105	7.0
257.18961	1.1
263.16428	2.0
263.25647	6.8
271.20587	1.1
275.20181	1.5
281.19189	1.5
281.26675	18.0
299.20337	5.6
299.27716	36.8
317.06567	2.0
317.10834	1.0
317.21268	15.0
317.28790	100.0
318.21262	1.0
339.18213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	2.1
55.05506	5.0
56.96561	7.2
57.03429	2.4
60.04531	1.3
61.01152	1.1
61.02934	3.5
67.05511	4.3
69.03429	8.9
69.07080	3.6
70.02937	0.7
70.06599	2.2
71.04989	1.6
71.60183	1.0
72.08157	6.3
73.02906	3.8
73.06548	2.4
74.02445	4.6
75.05601	1.4
79.05492	3.2
81.03426	3.7
81.07061	5.7
83.04964	1.4
83.08604	2.1
84.04504	7.5
84.08148	12.8
84.96052	1.5
85.02901	19.3
85.06544	2.1
86.09705	100.0
87.04451	1.6
87.05595	10.2
87.10017	1.7
88.03988	1.3
91.03954	1.4
91.05450	3.5
93.07037	5.3
95.04966	1.2
95.08606	9.3
97.02888	8.5
97.06541	2.7
98.97584	14.5
99.04424	1.0
101.07171	1.6
102.05532	1.1
105.07026	6.6
107.04965	2.2
107.08595	9.7
109.02885	2.2
109.06528	1.9
109.10156	8.7
110.97589	0.6
111.04487	3.2
111.08073	1.5
115.03938	0.9
116.03458	2.1
116.98610	9.8
117.07038	1.4
119.01824	2.0
119.08580	8.0
121.06529	0.8
121.10147	5.5
123.04417	0.9
123.08096	1.5
123.11707	2.3
125.05936	0.8
127.03896	5.7
128.02275	1.7
128.98616	3.2
129.10243	5.9
130.04999	8.1
130.08659	0.7
131.00101	0.8
131.08553	2.8
133.06087	50.1
133.10144	6.9
134.99663	6.2
135.08066	2.4
135.11676	2.5
136.06194	1.8
137.05971	0.8
137.06509	0.6
137.09595	3.7
138.05519	7.1
143.08572	1.3
143.11790	5.7
145.04948	2.6
145.10147	3.1
146.04160	2.5
146.99646	3.5
147.03340	0.8
147.07643	11.8
147.11667	4.5
149.13312	0.9
151.07596	1.3
151.11166	2.9
155.04631	11.1
155.08208	1.1
155.54840	1.9
155.99698	0.7
156.06519	4.6
157.07518	1.0
157.10091	2.6
157.13362	45.4
158.99629	6.3
159.11696	4.1
161.01300	1.6
161.02846	1.5
161.13231	2.0
163.11203	1.2
163.14772	1.7
164.05208	6.2
165.00652	1.1
165.04285	0.8
166.55424	0.9
169.10110	0.8
170.99677	0.9
171.11584	2.6
172.95233	2.5
173.09587	0.8
173.13277	2.6
174.00768	1.7
175.14835	0.9
177.00706	11.2
177.09171	0.7
177.12727	0.7
182.03487	0.7
183.11673	1.9
185.12866	23.9
187.11139	1.8
187.14859	1.1
188.05182	1.0
189.00652	1.3
189.04306	1.5
189.16406	1.0
190.96330	1.4
191.05716	1.6
194.37209	0.7
197.05647	0.6
197.13202	1.8
199.11092	1.2
199.14726	1.4
200.02330	0.8
201.12564	1.4
201.16484	1.5
205.05487	1.2
205.12239	1.7
205.15921	0.9
211.14792	1.4
213.16432	1.1
214.96213	1.9
215.14369	1.2
215.17966	1.0
216.01840	0.8
217.12210	1.0
218.06171	1.5
219.01740	5.1
225.12721	0.7
227.06775	21.6
227.56995	4.0
229.12027	1.8
229.15938	0.8
236.07318	17.9
236.57471	3.4
237.02817	6.6
239.14317	0.8
239.17943	1.2
243.13835	2.1
245.15384	1.0
246.14481	3.0
247.57986	1.0
253.19516	1.8
257.15399	0.9
257.19022	2.5
271.20654	1.6
275.20157	3.8
281.19016	1.9
289.21542	0.9
291.07538	2.6
299.17093	1.3
299.20081	8.9
303.07388	1.4
309.08585	8.9
310.08762	1.2
317.06308	3.2
317.12195	8.8
317.18439	1.2
317.21216	24.8
321.08380	1.6
333.24811	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1386
Annotation	CHEBI:69977
Peak:m/z	Relative Intensity
50.28533	1.6
53.03947	2.2
55.01870	5.3
55.05503	4.5
56.96550	2.3
57.03419	2.3
63.68371	1.4
65.03942	3.1
67.05501	8.7
69.03428	5.5
69.07087	7.2
69.43894	14.9
70.06590	4.3
71.04983	4.3
72.08161	2.3
79.05484	8.4
79.84019	1.5
81.03396	1.5
81.07056	17.0
83.04959	5.0
83.08605	2.9
84.04490	1.7
84.08131	3.1
85.02891	7.7
86.09708	18.0
91.05481	27.7
93.07034	12.5
94.04205	2.8
95.04964	8.8
95.08614	11.3
96.01084	1.7
97.02869	4.4
97.06521	3.8
98.97587	1.6
99.04447	2.7
103.05454	4.3
105.07033	11.7
106.56676	1.6
107.04948	6.9
107.08594	12.2
109.02928	1.5
109.06513	7.1
109.10177	11.9
111.04454	4.8
111.08025	2.7
111.30676	1.4
115.05444	2.2
115.56395	1.7
116.98615	1.7
117.07021	3.7
119.04929	12.6
119.08602	13.1
120.08103	2.2
121.02866	1.5
121.06510	16.1
121.10146	5.3
122.03624	6.2
123.04454	10.4
123.08099	3.4
123.11736	2.3
125.09683	2.2
127.03918	2.1
128.06232	3.7
129.07001	14.6
129.10310	1.6
131.04884	3.0
131.08574	5.3
133.06520	2.5
133.10133	9.2
134.99658	1.8
135.04428	5.7
135.08060	5.3
135.11705	5.0
137.05981	100.0
137.09631	6.1
137.13297	2.5
138.06367	2.4
141.07008	2.2
143.08540	4.0
145.06519	3.2
145.10104	6.2
146.11699	2.1
147.04402	16.5
147.08061	7.3
147.11734	4.6
149.05988	21.1
149.09618	2.6
150.06712	3.6
151.03946	2.1
151.07542	67.6
151.11208	3.4
152.07942	1.9
155.08772	4.3
155.14307	2.0
157.06517	11.7
157.07635	2.4
157.10136	4.6
159.09126	1.7
159.11671	6.5
160.05232	1.6
161.05969	5.9
161.09567	1.6
161.13251	2.8
163.07526	4.4
163.11201	2.3
165.06995	13.4
165.09103	1.7
167.08513	7.6
169.06483	3.5
171.11707	3.0
173.09517	2.7
173.13284	3.8
175.07549	39.4
175.11292	2.0
175.14909	2.0
177.09123	2.8
178.07808	5.2
179.08517	1.8
179.10709	2.3
181.06526	1.7
182.07297	2.8
183.08014	4.9
183.11571	1.8
185.09631	2.0
185.13239	2.4
187.14616	1.8
189.09123	3.5
189.12764	1.6
193.06509	9.3
193.08537	3.8
193.10185	2.3
195.08055	11.0
197.05869	3.8
197.13329	2.1
198.07887	4.8
201.12744	2.0
203.08287	2.0
203.49615	1.9
205.09734	3.6
210.06712	7.4
211.07465	8.4
213.08975	4.0
217.12334	1.7
221.06078	9.1
221.09645	6.6
223.07628	4.1
225.05338	1.7
225.09081	6.0
227.06981	2.1
227.10603	2.2
229.19359	1.9
238.06180	2.6
239.07027	9.7
239.10587	2.1
240.07639	2.0
241.08760	5.2
243.13747	2.0
249.09077	4.0
253.08540	9.3
253.12140	9.2
253.19577	2.5
255.06844	2.1
255.10333	1.9
256.07175	2.9
257.09027	2.7
257.19028	2.7
258.09003	4.6
270.08887	2.0
271.09607	34.0
271.20392	1.9
272.09793	2.2
273.11218	16.3
275.20132	2.3
281.11731	4.5
281.19003	1.7
287.10223	37.8
288.10699	2.6
289.11951	2.5
299.09827	7.2
299.13019	18.7
299.20276	10.3
299.23367	1.6
317.07355	2.4
317.10959	18.9
317.14795	8.5
317.21136	28.6
317.24869	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	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20179	0.6
53.03935	1.1
55.05495	2.8
56.96550	1.2
57.03425	1.3
57.07071	0.9
60.04531	0.6
63.83138	0.6
67.05176	0.8
67.05501	5.8
69.03426	3.3
69.06721	0.8
69.07066	10.6
70.06573	1.9
70.72249	1.7
71.04988	0.7
79.05504	3.4
81.03403	1.9
81.07050	5.7
83.04950	1.2
83.08609	1.5
84.04489	2.3
85.02903	3.8
85.06538	1.8
86.09695	2.0
87.08079	1.1
87.10023	0.7
91.05484	4.1
93.07034	5.8
95.04951	1.5
95.08601	8.6
97.02894	2.9
97.06553	3.1
97.10136	0.8
98.97558	0.9
99.04430	2.0
103.05472	0.6
105.07028	4.8
107.04974	0.8
107.08588	8.2
109.02905	1.0
109.06504	1.7
109.10149	9.0
111.04433	4.8
111.08063	1.8
115.07557	2.0
116.07079	2.1
116.98670	0.7
117.06973	1.1
119.04890	0.8
119.08582	9.4
121.06512	1.6
121.10145	5.4
123.08052	1.5
123.11694	2.0
127.03856	1.7
129.10303	0.6
131.08566	1.9
133.10114	5.4
135.08038	2.1
135.11681	1.7
137.05960	0.7
137.09624	5.8
138.05490	1.0
140.22589	0.5
141.02255	0.6
141.06975	0.8
143.08525	1.1
145.06532	0.6
145.10149	3.9
147.04395	0.9
147.08130	0.7
147.11661	4.4
149.09570	0.7
151.07637	0.7
151.11177	2.4
152.10675	1.0
153.01852	0.7
153.09073	0.9
155.06802	12.1
155.08623	0.7
157.10132	2.2
159.06601	0.8
159.08105	0.6
159.11679	3.9
161.13258	2.1
163.11176	0.8
163.14799	1.6
165.09161	0.6
169.10078	1.2
170.11784	0.7
171.11659	1.8
173.13235	2.8
174.13177	0.9
175.11189	0.8
179.10681	1.1
183.11699	1.6
185.04205	9.8
185.13258	1.5
187.11180	2.5
187.14835	0.9
188.12851	3.5
189.16412	1.0
197.13263	1.5
199.14963	1.2
201.12740	0.6
201.16353	1.2
203.05276	4.4
205.12263	1.4
205.15828	1.0
213.04083	0.7
213.16423	1.3
215.14218	0.9
215.17908	0.9
217.12306	0.7
225.12793	0.6
229.12131	1.0
237.02704	0.7
239.17940	1.6
243.13780	1.5
253.19521	0.8
257.18997	2.1
271.10803	2.0
271.20630	1.4
275.20056	2.6
281.18964	1.4
287.10245	3.2
299.10419	3.4
299.20004	9.2
317.12054	100.0
317.21017	22.6
318.12286	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	317.1209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.1
55.01862	0.8
55.05514	3.3
56.05032	0.8
56.96553	0.8
57.03433	1.7
60.04525	1.3
61.02905	0.8
66.19398	0.7
67.05176	0.8
67.05504	7.6
69.03431	7.2
69.07069	20.6
69.93675	4.2
70.06593	4.6
70.98951	0.6
71.04967	1.4
71.06911	0.7
72.08167	3.7
72.08515	1.0
73.02904	0.7
73.08459	0.7
75.70808	0.7
79.05489	3.2
81.03422	3.5
81.07051	6.4
82.06587	0.8
83.04988	1.7
83.08618	1.7
84.04510	5.6
84.08135	2.1
85.02911	6.1
85.06535	2.7
86.09708	13.4
87.05575	1.0
87.08096	1.0
87.10042	4.4
91.05477	4.6
93.07039	6.6
95.04961	2.0
95.08609	10.2
97.02877	3.2
97.06541	3.5
97.10141	1.0
98.97572	0.7
99.04460	1.3
105.07038	7.3
107.04954	0.9
107.08599	9.0
108.08117	1.2
109.02852	1.8
109.06508	1.8
109.08424	0.8
109.10146	11.4
109.10837	1.2
110.06062	1.2
111.04461	4.3
111.08076	1.8
115.07582	4.5
116.07101	4.3
116.98605	1.5
117.07442	1.2
119.08575	8.6
119.82958	0.7
121.06492	1.1
121.10128	5.8
123.08057	2.5
123.11714	2.6
124.07599	1.8
125.07936	1.0
127.03902	3.2
129.07008	0.9
129.10223	1.5
130.05014	0.7
131.08575	2.4
133.06477	0.7
133.10130	5.8
135.08014	3.2
135.11670	2.0
137.05956	2.0
137.07997	0.8
137.09610	6.2
138.05466	0.9
139.07553	1.0
143.03378	0.8
143.08516	1.3
145.04950	1.0
145.10120	3.9
147.11684	2.9
149.09618	1.2
149.13301	0.8
151.11179	2.7
152.10735	1.7
153.01802	0.9
153.09116	1.0
154.08650	4.9
155.06819	11.0
155.08946	6.6
155.10689	1.6
156.10208	1.3
157.10126	2.7
159.07982	0.8
159.11679	4.5
161.09631	0.8
161.13292	2.0
163.07532	1.2
163.11217	0.8
163.14809	1.5
169.10124	1.0
170.11810	1.9
171.11708	2.0
172.15134	0.7
173.09569	1.0
173.13141	3.0
174.13191	1.4
175.14870	1.1
179.10628	0.8
183.11702	1.5
185.04236	8.6
185.13251	1.5
187.11205	2.3
187.14851	1.6
188.12837	7.2
189.16470	0.9
197.13272	1.6
198.07864	2.0
199.14859	1.0
199.18141	1.3
200.18407	3.1
201.12668	1.6
201.16447	0.8
203.05319	3.9
203.10649	0.8
205.12260	0.8
205.15952	0.8
211.14810	0.8
213.04135	1.0
213.10246	1.4
215.14369	1.0
217.12354	0.8
227.17448	0.9
228.17889	2.5
229.12369	1.1
237.02814	1.7
239.18019	0.8
243.11327	0.9
243.13768	1.0
254.13875	1.1
254.64796	1.2
257.09262	1.7
257.19070	2.4
271.10706	1.4
271.20511	1.4
275.20114	3.1
281.19257	1.9
287.10275	9.2
289.11905	1.4
299.10269	6.0
299.20087	8.2
300.14432	1.1
302.04071	0.8
317.12042	100.0
317.20990	24.8
318.12393	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	317.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23565	2.2
71.51275	3.8
88.69317	2.0
94.93000	7.8
108.12598	2.3
112.89612	100.0
114.89381	13.4
136.94031	26.3
148.94009	8.1
154.94243	4.7
156.03551	3.7
159.47563	2.3
164.93523	9.9
166.95094	14.2
172.95242	10.1
176.93781	3.6
178.93370	2.5
180.97549	2.9
190.96358	3.6
194.97313	3.3
196.95238	17.5
202.57872	2.3
206.94958	2.7
212.98378	2.5
214.94524	2.2
214.96231	13.8
218.94881	4.1
228.05754	14.7
232.35814	2.5
237.06398	6.5
242.96727	13.9
242.98941	2.4
248.57164	2.7
258.09756	2.6
262.89935	2.5
298.97748	3.2
299.81042	2.5
316.98663	7.0
317.11319	2.6
317.21179	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	316.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21199	0.3
53.03933	0.4
54.05042	0.3
55.05265	0.4
55.05514	5.6
56.05033	3.0
57.03446	0.4
57.07063	0.7
57.22519	0.3
58.02944	0.4
59.04995	0.4
60.04531	3.5
63.82559	0.3
65.03951	0.4
67.05170	0.5
67.05505	6.8
68.05022	1.0
69.07065	4.7
70.06048	1.4
70.06591	2.1
71.08654	0.4
72.04518	0.8
80.05023	0.4
81.07059	7.8
82.06576	2.1
82.07391	0.4
83.04981	0.7
83.08614	2.4
84.08148	0.8
85.02905	0.9
86.06069	2.3
91.05472	1.9
93.07049	3.6
94.06572	0.5
95.04962	0.3
95.07343	0.3
95.08610	6.1
96.08140	2.3
97.02898	0.4
97.06503	0.4
97.10158	0.8
100.07595	0.5
105.07052	1.6
107.08612	2.5
108.08136	0.4
109.06527	0.3
109.10155	2.5
110.09686	0.7
112.07650	0.6
112.20905	0.3
113.94308	0.3
114.09206	1.3
117.51015	0.3
119.08553	1.6
121.10150	1.2
122.09630	0.4
123.11720	0.9
124.11227	0.9
124.84916	0.3
130.08626	0.5
131.08543	0.4
133.10118	0.7
133.86328	0.3
135.08044	0.3
135.11678	1.0
137.09651	0.3
137.13283	0.6
140.10674	0.3
145.10085	0.4
147.11708	0.5
154.12325	0.4
159.11632	0.5
161.13252	0.3
173.13377	0.3
185.09369	0.3
196.20673	1.1
197.13013	0.3
210.22081	0.5
236.23743	9.6
237.24124	0.8
238.53726	0.3
250.25293	1.1
254.24829	5.2
254.27246	0.6
256.11374	0.3
262.25299	5.7
263.25809	0.3
268.26251	0.4
275.20132	0.3
276.85004	0.3
280.26352	22.4
281.26718	1.6
284.64172	0.4
298.27408	32.6
299.20023	0.7
299.27695	2.0
316.13580	0.9
316.28464	100.0
317.06946	0.3
317.21164	1.7
317.28787	7.4
327.63245	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.01872	0.8
55.05510	4.7
56.05024	4.2
57.03437	1.1
57.07067	2.0
60.04523	100.0
61.04844	0.5
67.05500	10.4
69.07067	6.1
70.06589	1.4
70.55905	1.7
71.04988	0.7
71.08635	0.8
72.04510	2.2
74.06077	1.8
77.96582	0.5
79.05491	3.2
80.05025	1.0
81.07055	9.5
82.06567	1.5
83.04957	0.6
83.08618	3.5
85.06530	0.7
85.10174	0.6
86.06075	0.9
87.04455	1.4
90.05551	0.8
91.05482	2.5
93.07043	4.8
94.06559	1.0
95.04952	1.7
95.08598	9.5
97.06516	1.0
97.10167	1.8
105.07056	2.5
107.08607	3.9
109.10143	5.2
111.04443	1.0
111.08091	1.1
112.07597	0.6
112.11087	0.5
119.08585	4.9
121.10134	2.6
123.08056	1.1
123.11695	1.7
131.08559	0.9
132.96013	0.6
133.10120	3.0
135.08022	0.8
135.11697	1.6
137.09604	2.6
137.13266	0.6
143.08527	0.6
145.10100	1.1
147.11644	1.3
149.13312	0.7
151.07552	1.1
151.11125	0.7
157.10146	0.9
159.11670	1.9
161.13194	0.7
163.14795	1.1
173.13200	0.8
197.13164	0.5
205.12349	0.5
245.22624	0.7
250.25322	1.8
256.26263	1.0
262.25253	1.5
267.67783	0.6
268.26184	0.6
275.20056	0.8
280.26361	11.5
281.26617	1.1
298.24088	0.9
298.27402	12.9
299.20105	3.1
299.27686	1.0
316.28442	59.0
317.21118	9.0
317.28741	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03929	0.4
55.01868	0.6
55.05517	4.4
56.05032	2.5
56.69762	0.3
56.96549	0.6
57.07060	0.6
58.02971	0.4
60.04523	3.7
67.05172	0.4
67.05505	6.3
68.05032	0.8
69.03438	0.5
69.07066	4.1
69.52448	0.9
69.52861	1.9
69.96529	0.3
70.06596	2.1
71.04999	0.4
71.08637	0.8
72.04494	0.6
74.06068	0.5
77.18020	0.3
81.07060	6.6
82.06577	1.6
83.04961	0.3
83.08615	2.6
84.08148	1.0
85.02892	0.8
86.06068	5.6
88.29147	0.3
91.05486	2.1
93.07051	2.8
94.06562	0.6
95.04963	0.6
95.07305	0.4
95.08606	6.0
96.08117	2.1
97.06490	0.5
97.10153	1.0
100.07602	0.5
105.07026	1.5
105.48055	0.4
107.08607	2.0
108.08154	0.4
109.06527	0.5
109.10184	2.3
110.09696	0.6
112.07609	0.4
114.09152	1.3
116.10743	0.6
119.08572	1.1
121.10136	1.0
122.09648	0.6
123.11761	0.5
123.67189	0.4
124.11199	0.5
127.03946	0.4
133.10086	0.9
135.11702	0.8
177.49406	0.3
191.06198	0.4
235.44333	0.3
235.60675	0.5
236.23763	7.0
237.23949	0.4
250.25276	0.4
254.24806	3.4
255.24908	0.4
262.25327	4.7
270.13651	0.4
280.26355	22.4
281.26657	1.2
284.64325	2.4
285.14560	0.7
298.27411	26.1
299.20117	0.5
299.27808	1.5
316.28464	100.0
317.21075	1.1
317.28787	5.5
321.17273	0.5
339.18613	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	316.2848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.3
55.01877	0.7
55.05098	0.2
55.05513	5.3
56.05038	3.8
57.03429	0.8
57.07077	2.2
58.02971	0.2
58.06575	0.2
60.04528	100.0
61.04862	0.6
62.74536	0.2
65.03930	0.3
67.05508	8.3
68.05025	0.3
69.07072	5.3
70.03707	1.2
70.06603	1.0
71.05000	0.5
71.08636	1.2
72.04520	2.0
73.02930	0.2
74.06080	2.2
79.05502	3.7
80.05019	0.9
81.03417	0.4
81.07057	7.8
82.06590	1.6
82.25018	0.2
83.04980	0.3
83.08621	3.7
85.02906	0.2
85.10200	0.4
86.06083	0.5
87.04451	1.2
88.07613	0.2
90.05554	1.3
91.05489	3.1
93.07037	3.3
94.06580	1.1
95.04978	0.9
95.08610	6.8
96.08140	0.8
97.06540	0.8
97.10175	1.5
100.07634	0.5
102.05540	0.2
102.09243	0.3
105.07027	1.6
107.08593	1.9
108.08098	0.4
109.06569	0.3
109.10156	3.0
111.04442	0.2
111.08104	0.4
111.11726	0.3
112.07628	0.6
112.39682	0.2
116.07071	0.4
118.16503	0.2
119.08569	1.6
119.27277	0.2
120.80599	0.2
121.10145	1.8
123.08090	0.5
123.11723	1.3
127.16515	0.2
128.66766	0.2
130.08636	0.2
133.10121	1.1
134.80768	0.2
135.11685	1.2
137.09616	0.5
137.13280	0.3
137.53835	0.2
145.10103	0.3
146.21722	0.2
147.11703	0.4
149.13269	0.4
160.15091	0.2
161.13266	0.3
163.14836	0.3
212.23766	0.5
219.21133	0.3
233.22717	0.4
236.23645	0.5
245.22638	0.6
250.25412	1.1
256.26501	0.4
256.82190	0.3
262.25284	1.2
263.23682	0.5
268.26337	0.9
280.26364	10.5
281.26651	0.8
298.27417	12.1
299.20099	0.5
299.27655	1.1
316.28482	51.3
317.06192	0.3
317.21075	1.3
317.28809	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	316.2846
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
53.03931	0.9
55.01867	0.8
55.05511	5.8
55.23687	0.4
56.05011	0.9
56.96546	1.3
57.03416	1.3
57.07052	1.0
58.06576	1.5
59.04985	0.4
64.93209	0.3
65.03938	0.3
67.05499	10.9
68.05838	0.4
69.03408	1.6
69.03743	0.4
69.07064	6.6
70.06590	13.8
70.94530	0.8
71.04974	1.3
71.08628	0.7
72.08156	2.0
79.05489	5.7
81.03407	1.0
81.06586	0.6
81.07050	11.2
82.06562	0.8
83.04955	0.6
83.08612	2.3
84.04485	0.7
84.08127	1.1
84.21365	0.3
85.02875	1.3
85.06540	1.1
86.06065	3.9
86.09674	1.6
91.05467	3.4
93.06472	0.5
93.07040	6.6
94.06528	0.5
95.04940	1.7
95.08603	11.2
96.08113	2.3
96.08881	0.4
97.02882	1.2
97.06518	2.2
97.10146	1.1
98.09698	2.7
98.97585	0.7
105.07018	4.3
107.04924	0.4
107.08591	5.5
109.06493	1.1
109.10145	5.8
110.09692	0.7
111.04420	1.4
111.08061	0.8
114.09115	0.5
116.10715	2.0
116.98583	0.7
117.06982	0.5
119.08578	5.0
120.08057	0.4
121.06488	1.1
121.10131	3.4
121.58567	0.4
122.09631	0.7
122.10429	0.5
123.08064	1.1
123.11698	1.4
124.07594	3.1
124.11211	0.4
125.07896	1.1
128.06200	0.4
129.06985	0.6
131.08563	1.7
133.06470	0.4
133.10132	3.9
135.08073	2.0
135.11679	2.0
136.11131	0.4
137.09615	2.3
137.13260	0.8
138.12762	0.8
142.07759	0.4
143.08527	1.4
143.10675	0.8
143.11720	0.8
145.06476	0.5
145.10121	2.0
146.05988	1.0
146.11748	1.4
146.99612	0.4
147.08000	0.7
147.11678	3.0
149.09641	0.5
149.13161	0.6
151.11186	0.9
153.09158	0.5
155.08603	0.4
157.10106	1.6
159.11684	1.6
161.09637	1.8
161.13248	0.9
162.05463	0.5
163.11060	0.6
163.14807	0.7
167.56306	0.4
169.10063	0.8
171.11552	1.5
172.03938	0.5
172.06480	0.6
173.04218	0.6
173.09593	0.5
173.13271	0.8
175.11218	0.5
175.14827	0.5
177.09047	0.6
179.10692	0.6
183.11671	0.8
185.13242	0.9
187.11104	0.9
187.14769	0.5
189.09048	0.4
190.04958	1.8
190.07521	1.2
191.05362	2.3
193.06908	0.5
197.13287	0.9
200.12817	4.2
201.12932	0.6
201.16533	0.5
203.10767	0.6
207.13564	0.4
211.14816	0.9
214.18040	2.0
215.59099	4.2
216.09227	1.2
225.11131	0.8
227.60909	1.5
236.23694	1.7
236.61235	0.5
237.02730	0.6
238.21594	1.2
239.18005	0.5
245.49409	0.4
246.57437	0.4
248.12128	0.5
249.60425	0.8
252.23157	0.7
253.19569	0.8
254.17506	3.9
254.24615	0.9
255.17657	0.5
257.15259	0.5
257.18860	0.6
262.25284	8.8
269.10757	0.6
270.10965	0.5
271.17087	0.6
271.20599	1.3
272.22122	0.7
275.20114	1.0
280.26340	19.7
281.18982	0.8
281.26602	1.0
283.15933	0.5
284.64267	2.6
285.14468	0.8
287.20087	0.5
298.20480	2.1
298.27368	27.1
299.14804	0.7
299.20020	3.9
299.27679	2.2
306.63742	0.6
316.13971	1.9
316.20749	3.5
316.25119	4.1
316.28418	100.0
317.06293	0.9
317.11295	0.7
317.21106	12.3
317.25137	0.8
317.28729	6.2
334.11603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.5
55.05511	1.0
56.05016	0.3
57.03431	1.0
57.07088	0.3
58.06588	0.3
67.05503	1.9
69.03448	0.6
69.07062	1.2
70.06593	2.2
71.04960	0.6
79.05492	1.0
81.03404	0.5
81.07056	2.0
82.06568	0.6
83.04975	0.6
83.08631	0.5
84.04499	0.6
84.08155	0.8
85.02910	0.7
85.06564	0.5
86.09704	100.0
87.10034	1.2
91.05481	1.7
93.07038	2.1
95.04973	0.7
95.08594	1.9
96.08120	0.5
97.02870	0.5
97.06525	0.7
98.97581	0.6
101.06039	0.4
105.07046	1.5
106.06564	1.3
107.08569	1.8
109.06497	0.6
109.10163	1.3
111.04450	0.7
117.07032	0.6
119.04964	0.5
119.07331	1.1
119.08588	1.0
120.08067	0.4
121.10130	0.8
132.10201	5.0
133.10129	0.7
135.11703	0.5
137.09625	0.7
143.08565	0.4
145.10118	0.5
146.06007	2.0
147.11716	0.6
149.09653	0.5
155.08640	0.3
157.13362	55.9
158.13715	0.7
159.11705	0.4
161.09607	0.3
167.08728	0.4
169.10078	0.5
170.07909	0.5
179.08540	0.4
185.12852	32.0
186.13231	0.7
203.14030	0.7
207.08185	0.4
239.06966	1.1
242.10158	0.5
245.18620	3.8
253.08603	1.1
260.11066	0.9
262.25339	1.5
270.11148	2.8
270.60699	0.3
271.11490	0.4
280.26306	4.0
285.12366	1.1
298.27448	2.0
299.10458	0.5
299.13907	1.3
301.51981	0.3
316.04199	0.7
316.14297	3.8
316.28372	13.8
317.06683	0.6
317.11334	0.9
317.14917	1.4
317.21088	1.1
319.10687	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68330	0.5
53.03932	0.9
55.05492	1.7
57.03430	1.1
60.04515	1.7
61.02917	1.8
67.05493	0.8
69.03435	4.9
69.07064	3.7
70.06590	6.2
71.04974	0.9
71.36174	1.1
72.08157	6.0
73.02927	0.8
77.35868	0.5
79.05497	1.1
81.03419	2.0
81.07059	2.8
82.06580	0.9
83.06094	0.5
84.04517	1.3
84.08131	2.0
85.02429	0.7
85.02910	9.6
86.09707	30.1
87.04478	1.2
87.05574	1.6
88.04028	0.5
91.03943	1.1
91.05477	3.1
93.05791	1.4
93.07040	1.9
94.06559	1.8
95.04959	0.6
96.08131	4.8
97.02904	3.7
99.04491	1.0
105.06953	0.5
106.06541	0.5
107.04934	1.0
107.08577	0.6
108.08123	20.1
109.02862	1.3
109.06524	1.4
110.06038	1.6
110.07149	1.1
115.07556	0.7
116.07098	13.1
118.06556	0.6
122.06010	0.7
123.06772	0.7
124.06699	1.0
124.07593	19.0
127.03896	1.5
128.10735	1.0
129.10233	1.0
136.07588	14.4
137.05949	1.3
138.09135	0.6
145.05003	0.9
154.08633	100.0
155.06900	0.6
155.08966	0.8
166.08609	2.3
171.14963	1.6
173.12877	7.0
177.09047	0.6
187.10809	0.7
199.14415	1.5
199.18068	7.4
200.51410	0.5
201.12410	2.3
203.13882	2.0
207.08127	0.6
217.15021	0.6
223.07614	0.5
227.17505	3.8
240.85217	0.6
280.11612	0.7
287.10287	0.8
298.12427	0.6
299.09872	0.7
316.14139	3.5
316.24857	0.6
317.06458	0.7
317.12094	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	316.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08975	0.4
55.05510	1.9
61.02938	0.4
66.54947	0.3
67.05503	0.7
69.03418	0.7
69.99811	0.4
70.06580	1.1
71.35436	0.7
71.35766	0.5
72.08147	1.5
79.05472	1.0
81.03440	0.5
81.07054	2.1
83.08624	0.6
84.04489	0.5
84.08139	0.7
85.02904	0.7
86.09686	2.1
88.03972	0.5
91.05476	0.5
93.07036	1.1
95.08606	0.6
97.05241	0.6
98.06050	1.0
98.09690	0.6
98.97588	0.4
105.07051	0.7
106.05062	0.7
107.08598	1.0
108.08119	0.6
109.06515	1.7
109.10188	0.7
110.06017	0.9
111.06784	0.6
111.39612	0.3
116.98628	0.4
119.08546	0.4
119.82780	0.3
121.10152	0.6
124.07578	0.6
126.09138	1.5
129.10255	0.6
138.05547	0.6
138.09128	0.8
139.06277	0.9
149.09605	0.9
154.08630	100.0
155.08969	0.7
177.09120	0.9
185.16502	0.6
193.12285	0.4
195.10091	0.9
207.08109	1.0
211.13271	1.0
253.08606	0.7
270.11398	0.6
280.22644	1.0
287.10300	0.7
298.23801	1.2
299.09579	0.4
316.12082	2.1
316.13824	1.2
316.24747	3.5
317.11224	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43813	0.2
55.01864	0.4
55.05503	1.2
67.05506	0.4
68.05038	0.2
69.03415	0.4
70.06580	0.7
71.50367	0.3
72.08156	2.3
72.20282	0.2
79.05476	0.8
81.03401	0.4
81.07071	1.9
81.07493	0.4
82.06572	0.4
83.04969	0.2
83.08612	0.4
84.04480	0.3
84.08163	0.5
85.02898	0.8
86.09708	1.7
91.05468	0.4
93.07047	0.4
96.08141	0.3
97.02921	0.4
97.05274	0.5
98.06035	0.5
105.07037	0.3
106.05022	0.3
107.08599	0.3
108.08106	0.5
109.06507	1.5
109.10210	0.2
110.06049	0.8
111.06815	0.4
114.32590	0.2
115.05405	0.2
121.10132	0.3
124.07617	1.6
126.09161	0.8
133.10039	0.3
137.09639	0.2
138.05594	0.2
138.09157	0.8
139.06302	0.8
149.09618	0.4
152.10400	0.2
154.08630	100.0
155.08949	1.0
173.07997	0.2
177.09126	0.7
185.16481	0.6
195.10185	0.9
207.08148	0.2
211.79236	0.2
213.15967	0.4
216.60495	0.2
235.07637	0.5
253.08521	0.5
265.63116	0.2
270.11401	0.6
271.10275	0.2
275.51749	0.2
280.22842	0.7
287.10281	0.9
298.23843	0.3
299.09378	0.3
316.13852	1.9
316.24875	1.4
316.77615	0.3
317.06717	0.2
317.11334	0.7
317.21121	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	1.6
55.05503	4.1
55.65405	1.4
56.05035	1.8
56.96557	4.8
57.03439	1.5
57.19001	1.5
65.60261	1.1
67.05502	4.3
69.03430	2.9
69.07029	2.2
70.06583	5.8
70.26823	1.3
71.14560	3.2
72.08149	4.6
74.06061	1.3
79.05493	3.3
79.96157	1.3
80.37564	1.4
81.03452	1.6
81.07059	3.1
83.04996	1.8
84.04512	2.0
84.08155	2.9
84.61889	1.1
84.96061	1.7
85.02896	3.3
85.08576	1.3
86.09715	22.1
91.05470	4.2
93.07063	3.6
95.04990	3.2
95.08618	2.8
96.08114	2.5
97.02870	4.4
98.97591	5.1
102.09186	2.8
105.07058	1.6
107.08536	1.5
108.04404	1.4
108.08125	1.5
109.06514	2.3
110.09673	1.5
110.97572	1.5
116.98632	6.7
124.07593	13.0
128.98660	3.5
130.06529	1.6
130.08606	1.5
134.99638	3.7
136.07547	4.3
138.09134	7.7
146.05977	2.1
146.99667	3.1
149.26134	1.4
154.08644	19.4
155.08557	2.4
158.99664	1.7
165.07004	4.6
175.08640	1.6
177.00644	2.4
178.07744	4.8
179.08589	20.7
181.06461	3.4
181.10173	1.9
183.08061	77.2
193.12303	1.5
194.07277	2.3
195.07956	1.6
197.09622	1.9
206.09731	2.4
207.08061	97.9
208.08691	2.9
209.09625	9.2
211.07549	14.1
219.01881	2.3
224.10712	6.3
225.09143	3.9
229.08604	4.1
235.07574	11.7
236.20079	3.0
237.02809	5.7
239.07076	3.6
253.08604	100.0
254.08992	3.3
257.08081	52.3
270.11252	71.5
271.10925	5.8
280.22687	4.5
281.08047	4.8
287.10297	4.4
289.11557	1.5
293.09036	13.3
298.23874	3.3
299.09134	57.6
316.11188	15.4
316.14575	5.2
316.21432	2.9
316.24756	17.3
317.06369	1.6
317.11426	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	315.2683
Annotation	Mansumbinone
Peak:m/z	Relative Intensity
53.24926	2.4
55.05509	14.9
56.95924	3.3
57.07073	9.2
67.05505	20.7
69.07093	13.3
70.18784	12.3
71.08614	4.3
79.05503	13.9
81.07059	70.5
83.08616	9.5
85.06544	21.3
88.41021	2.9
91.05479	17.7
93.07047	45.5
95.08611	48.0
97.10193	5.7
99.08076	5.5
105.07025	42.5
107.08601	36.4
109.10146	21.6
111.58714	2.4
117.07012	12.6
119.08580	37.7
119.17725	3.2
121.10166	29.7
123.08072	3.8
123.11709	7.7
129.06947	3.5
130.07748	3.3
131.08575	30.3
133.10123	18.5
135.11700	18.7
137.13234	3.5
143.08577	7.6
144.09407	4.9
145.10118	56.6
147.11696	20.8
149.13246	25.2
155.65376	3.3
157.10164	13.2
159.11682	100.0
161.13272	20.3
163.14818	10.0
165.12747	3.5
171.11708	9.9
173.13283	26.8
175.14816	9.9
185.13271	6.8
187.14848	14.2
189.16412	11.4
191.17902	4.2
191.27313	3.7
199.14766	9.4
201.16379	12.6
203.17976	9.0
213.16423	17.1
215.17957	27.3
217.19576	7.7
227.17854	3.9
241.19478	4.0
297.25809	32.2
299.10928	5.4
315.14368	5.1
315.19440	5.9
315.23340	3.0
315.26797	80.0
315.34390	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	315.1049
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.05490	0.6
56.96561	1.2
57.03410	0.6
59.04990	0.8
66.80611	0.4
67.05510	0.9
69.03416	1.3
70.60876	1.0
70.61205	0.6
71.04989	0.8
72.08167	0.8
73.27412	0.4
79.05486	0.6
81.07030	0.9
82.06592	0.4
83.04969	0.4
84.08155	0.6
85.02895	3.2
86.09679	0.9
88.07628	0.8
91.05485	0.9
93.07054	1.0
95.08574	0.4
97.02873	1.2
98.97585	1.6
99.04478	0.4
105.07022	1.3
107.08603	1.2
109.02837	0.7
109.06554	0.5
116.23654	0.4
116.98605	1.2
119.08582	0.8
129.10170	0.4
131.08577	0.6
133.06502	0.9
133.10103	0.8
134.99683	0.5
135.08067	1.0
143.08543	0.5
145.05026	0.6
145.10158	0.7
147.04413	0.8
153.05307	1.3
153.06535	0.6
154.08623	0.5
156.09326	0.5
158.99683	0.5
159.11722	0.5
173.13126	0.6
177.00745	0.8
184.04825	0.4
184.55148	0.5
185.04221	0.7
205.90060	0.5
213.06049	0.5
237.02835	1.0
268.06229	0.5
297.18695	0.6
315.10495	100.0
315.19534	1.9
316.10831	2.4
316.14066	0.6
328.57474	0.4
339.85254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1339
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.6
56.05019	0.5
56.89609	0.3
58.99571	0.4
59.04977	0.6
62.36006	0.4
65.03950	0.6
67.05484	1.6
68.05022	3.1
69.07062	1.6
69.27546	3.6
69.27967	0.9
70.06617	0.8
79.05491	4.2
80.05003	0.8
81.05785	2.3
81.07043	3.2
82.06578	0.6
86.09713	0.8
89.03914	0.9
91.05478	1.8
93.07043	1.4
94.06566	0.9
95.04959	0.9
95.08598	1.0
96.04482	1.0
96.08134	5.6
98.20731	0.7
105.00125	0.5
105.07022	1.5
106.06548	1.5
107.04997	0.6
107.08595	1.0
109.06574	0.5
109.10132	0.9
110.06043	3.3
116.04993	3.0
118.06506	0.7
119.08554	1.2
120.08086	0.8
121.06528	0.6
121.10142	0.5
123.04419	0.4
124.07585	94.7
125.08403	5.4
126.09172	0.9
131.08542	0.5
133.06467	0.8
133.10144	0.6
134.06017	0.6
135.08034	0.8
138.09149	0.4
143.08594	0.4
144.04431	7.8
144.05467	0.6
145.10121	0.8
146.06006	17.8
147.06763	0.8
148.03894	0.6
148.07568	11.9
157.10141	0.7
159.11681	0.6
162.05498	5.3
163.06310	0.6
164.07059	0.5
167.66582	0.4
168.06506	0.4
171.11710	0.4
171.47234	0.4
172.03929	26.6
174.05539	2.6
190.04985	100.0
191.05547	2.0
192.04744	0.6
192.06535	10.9
194.05875	0.3
195.11693	0.4
197.13284	0.4
199.14807	0.4
211.14873	0.5
238.21704	0.5
239.22000	0.7
255.11011	0.3
269.12845	1.0
269.19009	0.5
269.44153	0.4
279.25208	1.7
283.09631	0.5
297.12274	4.0
297.18188	0.6
297.26141	1.8
314.26901	0.9
315.13379	15.1
315.19556	1.6
315.23291	0.7
315.27206	9.3
322.12329	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.2688
Annotation	(+)-Prosopinine
Peak:m/z	Relative Intensity
55.05507	2.7
56.05028	0.6
57.03416	0.8
57.07052	0.4
58.06586	0.4
59.04983	0.3
67.05176	0.4
67.05504	5.1
68.05016	0.3
69.03428	0.4
69.05784	0.3
69.07060	2.9
70.06590	8.7
70.27395	1.0
71.04982	0.6
71.06917	0.3
72.08141	0.4
73.06938	0.3
73.13985	0.3
73.42964	0.3
79.05138	0.2
79.05495	2.8
80.04984	0.9
81.03409	0.3
81.06659	0.3
81.07060	4.5
82.06576	1.3
83.04946	0.7
83.08604	0.9
84.08115	1.1
85.06538	0.5
86.06040	0.4
86.09680	0.6
87.04436	0.3
91.05474	1.6
93.07036	3.7
94.06554	1.1
95.04968	0.4
95.08601	4.4
95.33774	0.3
96.08127	3.8
97.06498	0.6
97.10174	0.4
98.09682	0.9
99.08012	0.2
103.79998	0.3
104.07094	0.6
105.07021	2.0
106.06486	0.4
107.04937	0.3
107.08598	2.4
108.08114	1.3
109.08895	0.4
109.10155	1.4
110.06007	0.3
110.09666	1.3
110.10339	0.3
111.04433	0.3
119.08564	1.1
120.08102	1.0
121.10149	1.3
122.09662	0.9
123.10407	0.3
124.07589	2.4
124.11208	0.5
131.08548	0.8
133.06519	0.4
133.10106	0.9
135.08020	1.1
135.11678	0.7
136.11224	0.3
138.12764	0.5
140.07024	0.3
145.10060	0.7
146.06032	0.3
147.11647	0.7
148.11266	0.3
148.30312	0.3
149.09547	0.7
159.11678	0.5
172.03915	0.7
190.05040	2.2
199.08675	0.3
234.22212	0.4
245.29460	0.3
246.22186	0.4
248.23735	0.3
250.25221	0.8
252.23175	0.6
254.17519	2.2
255.11409	0.5
255.30017	0.3
260.23831	1.5
269.12775	0.4
273.18491	0.5
276.23175	1.1
278.24780	19.8
279.25128	0.5
296.25839	20.4
297.18518	0.5
297.26120	0.7
299.11401	0.4
314.13861	1.2
314.19675	5.7
314.26871	100.0
315.09821	0.5
315.13382	3.7
315.19519	2.2
315.27148	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	314.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.5
55.01862	2.9
55.05504	2.3
56.05051	1.4
56.96294	1.8
56.96563	26.5
57.03430	4.3
61.02928	6.0
62.93389	1.2
67.05491	2.1
69.03433	14.3
70.06591	8.9
70.26327	6.1
71.04991	15.5
72.08138	1.5
73.02904	5.9
74.97596	2.0
76.04022	1.2
77.93810	1.1
79.05487	1.5
81.03409	7.0
81.07044	2.3
83.04961	1.8
84.08136	3.9
84.96040	2.1
85.02905	42.1
86.03228	1.3
86.09693	2.5
87.04446	3.7
89.06031	100.0
91.03970	1.9
94.33034	1.2
94.35062	1.2
95.06108	9.9
95.09631	1.3
97.02892	47.5
98.66124	1.6
98.97580	11.6
99.04451	4.4
107.04952	2.7
108.08128	11.4
109.02885	2.7
109.06541	1.8
110.97564	2.0
112.07589	1.4
112.99149	1.5
115.03889	2.3
116.07065	2.8
116.98615	13.3
117.05505	4.1
117.09051	1.5
119.01828	2.8
123.05511	1.7
124.07608	1.5
127.03942	6.5
128.98624	4.1
130.93291	1.6
131.00168	1.7
134.06030	2.9
134.09642	6.5
134.99657	9.8
135.04445	1.5
135.05504	2.4
135.06529	31.3
136.06186	77.7
136.07510	4.2
136.91963	1.4
138.02504	1.6
145.04958	5.8
146.99631	6.7
147.03062	1.4
147.04350	1.5
149.01218	3.7
150.05524	1.6
150.07767	6.0
151.06006	1.3
152.05858	2.8
152.07077	19.1
152.09186	5.9
152.10580	6.5
158.99657	3.2
161.01309	1.8
164.05640	8.8
164.07071	5.6
165.00705	2.2
174.00650	1.5
174.99078	2.9
175.02759	1.8
177.00749	5.1
177.04268	2.5
179.03644	1.7
180.08699	5.2
189.00735	2.0
189.04344	1.4
190.95296	7.8
191.02161	1.5
193.00180	4.4
203.02274	1.5
208.96481	4.4
211.03676	2.2
211.14435	5.1
214.03630	1.9
219.01790	4.1
232.04881	2.7
232.96461	2.3
237.02785	7.5
243.99194	1.4
248.95964	3.7
248.99193	9.3
250.97438	2.9
251.02493	1.9
267.00119	7.4
270.21759	5.2
272.00620	1.6
272.96185	2.3
290.96991	13.9
291.03754	1.5
296.08102	2.5
298.10764	1.5
299.11539	2.4
308.98111	3.7
313.60376	1.5
313.98361	2.1
314.09003	6.6
314.12616	12.3
314.18164	4.5
314.27530	1.9
315.07468	5.5
322.38870	1.3
323.06433	1.3
333.08600	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	314.1448
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.9
54.78744	1.2
55.01864	2.9
55.05523	1.3
56.96566	22.6
57.03439	6.4
61.01148	1.8
61.02932	8.5
67.05495	1.8
69.03435	12.5
69.07073	2.0
70.06594	8.9
70.20813	2.5
70.21206	2.6
71.04644	1.8
71.05001	18.1
72.08138	2.2
73.02907	4.4
76.04002	1.2
81.03416	6.4
81.07025	2.4
83.04993	1.8
84.08135	4.5
84.96043	2.9
85.02910	40.7
87.04471	3.7
89.06037	100.0
91.03954	3.0
95.06093	7.8
97.02283	2.6
97.02898	48.2
97.07630	1.4
98.97607	11.6
99.04434	5.0
107.04954	2.5
108.08117	9.5
109.02879	4.4
110.06049	1.4
110.97526	2.5
116.07077	3.3
116.98623	11.4
117.05470	2.1
119.01925	3.2
119.03585	1.4
123.05611	1.4
124.03834	1.5
124.07595	2.5
127.03951	11.9
128.02310	1.7
128.98624	4.1
131.00195	1.4
131.01843	1.4
134.06006	1.5
134.09648	3.7
134.99670	9.0
135.04463	1.8
135.06528	35.0
136.06190	76.0
137.06541	1.7
140.07133	1.7
143.01701	1.6
145.04980	7.5
146.99661	3.9
149.01265	3.0
150.07784	5.4
150.52325	1.3
151.08076	2.4
152.05791	1.8
152.07053	20.3
152.09190	9.5
152.10684	7.5
153.04085	1.6
155.04753	1.9
158.99628	4.1
159.03296	1.9
161.01270	3.3
164.05661	10.0
164.07088	7.0
165.00664	1.9
170.05215	1.3
174.99196	2.4
175.02777	2.3
175.04381	1.7
177.00751	4.5
177.04288	1.9
179.02248	1.5
179.03735	2.6
180.08696	6.6
182.06734	2.5
184.02907	1.7
187.02707	2.5
189.00710	1.8
190.95419	5.9
190.98650	2.2
191.02251	1.6
193.00247	5.5
199.11996	2.5
201.00656	2.1
201.04279	2.5
203.02260	1.4
208.96460	3.3
208.99599	1.6
211.14442	6.0
214.03827	2.1
215.06213	1.4
219.01721	3.3
223.05099	1.6
232.04768	1.8
232.96381	2.5
233.08759	1.5
237.02965	7.9
248.96326	2.6
248.99182	12.9
255.09676	2.6
267.00204	9.2
270.21747	5.8
272.00815	1.6
272.96085	3.7
290.97037	14.3
293.05746	1.8
296.08017	4.1
298.10690	2.5
308.98111	2.5
309.08646	1.4
314.09030	6.8
314.12643	15.3
314.18350	3.2
315.07553	4.8
333.08499	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	313.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34387	0.6
55.05516	5.7
57.03436	14.6
57.07075	47.1
58.06588	0.8
67.05502	9.3
69.07066	8.8
70.23141	1.9
70.23528	1.4
71.04993	1.1
71.08631	28.5
79.05476	1.8
81.07052	12.9
81.73744	0.6
82.07366	0.7
83.08624	10.0
85.06532	1.1
85.10189	15.1
87.04479	1.1
89.06037	2.4
91.05473	1.1
92.78833	0.6
93.07045	2.3
95.08606	18.2
97.06509	0.9
97.10173	5.7
99.08107	0.6
103.07584	2.5
105.44996	0.6
107.05013	0.6
107.08585	0.9
109.10153	8.3
111.11737	1.0
119.08619	0.7
121.10133	1.6
123.11686	3.2
125.13296	1.0
137.13261	1.8
145.10141	0.7
159.11737	0.8
239.23680	3.8
243.28769	0.6
257.24835	2.3
257.88516	0.7
284.77377	0.7
298.10822	2.7
298.27505	1.1
299.11548	1.3
313.27374	100.0
313.36334	4.5
314.13986	4.1
314.17340	1.2
314.27625	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	314.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72433	0.6
52.37439	0.5
53.03935	1.0
55.01858	0.8
55.05504	1.9
56.96558	6.5
57.03437	3.0
57.07070	1.5
60.04546	0.6
61.01156	0.7
61.02927	3.2
62.06083	2.2
66.43273	0.6
68.05029	0.7
69.03139	0.5
69.03438	6.5
69.07073	1.0
69.71661	1.7
69.72079	2.7
70.06259	0.6
70.06599	8.3
71.04987	2.0
71.08633	0.9
72.08146	2.5
73.02918	2.4
73.06548	1.1
78.38174	0.6
79.05498	0.7
81.03411	2.2
81.07050	1.7
84.04537	1.1
84.08150	1.3
85.02904	10.8
86.09713	1.0
87.04468	0.9
89.06021	3.4
90.40483	0.6
93.07064	0.8
95.04961	0.8
95.06098	5.2
95.08620	0.8
97.02898	47.6
97.07684	1.0
98.20802	0.6
98.97581	8.8
99.04453	1.0
108.08115	1.2
109.02909	0.8
110.07199	0.7
112.08731	1.8
115.08709	2.4
116.07098	4.1
116.98628	7.1
119.01771	0.6
119.03577	0.9
123.04482	0.8
125.03589	0.6
127.03912	2.7
128.98631	1.0
129.10263	0.7
134.09669	2.7
134.99666	5.5
135.06564	2.4
136.06190	100.0
137.04643	0.9
143.01639	1.1
145.01672	0.7
145.04947	1.3
146.99654	2.0
152.07097	3.2
152.09221	1.3
152.10719	2.3
153.00719	0.9
155.04631	2.6
157.09775	0.7
158.99651	3.6
159.03362	0.8
161.01373	1.1
161.02716	1.3
164.05577	5.4
164.07027	1.5
165.00746	1.1
166.55397	0.8
177.00735	6.2
178.07263	2.5
179.03781	2.2
187.06436	0.9
188.05310	2.2
189.04320	1.3
190.95399	1.9
193.13509	0.8
196.04977	0.7
197.05698	7.4
199.11954	2.2
200.02238	0.7
205.05540	1.2
206.06316	1.2
208.56451	1.4
208.96422	1.0
211.14439	3.3
213.04358	1.2
217.12959	1.7
219.01788	2.8
224.08047	1.0
227.06610	0.8
231.05417	1.8
232.96407	0.9
233.08562	8.4
233.58694	1.6
237.02763	3.8
248.07733	1.0
248.99236	2.4
250.97607	1.2
263.73413	0.8
267.00195	1.1
270.21857	2.7
278.07370	0.9
281.33932	0.7
290.97281	1.0
291.07431	0.9
296.08142	2.6
298.10715	0.9
309.08459	3.4
314.09137	7.2
314.12350	6.2
314.18268	7.1
314.61401	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	313.2737
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	5.9
57.03432	9.5
57.07075	40.6
58.06587	2.2
66.40863	1.1
67.05511	7.5
69.07072	6.5
71.08633	25.4
71.09029	0.9
71.32973	2.7
71.33400	1.0
79.05501	1.2
81.07064	10.4
83.08609	7.1
85.10185	13.4
89.06044	1.4
91.05472	3.0
93.07034	2.0
94.98247	1.2
95.08611	18.5
97.10165	3.4
99.11678	1.0
105.07053	1.7
106.77864	1.0
109.10156	9.4
121.10146	1.5
123.11678	3.0
126.85651	1.3
133.10158	1.4
151.07513	1.2
153.78653	1.1
183.01093	1.1
239.23749	2.5
257.24750	2.8
298.10730	3.6
299.11444	2.3
313.27377	100.0
314.10641	1.6
314.13873	8.0
314.17319	1.8
314.27643	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	313.2376
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
54.05613	4.9
54.73209	3.9
55.05499	14.1
57.07076	9.4
63.33343	4.7
67.05493	17.2
69.03439	4.8
69.07059	17.6
69.86475	30.1
70.06573	4.7
71.08626	10.0
79.05492	12.8
81.03410	10.9
81.07068	27.2
85.06556	6.9
91.05479	15.1
93.07053	23.3
95.04955	15.7
95.08614	25.7
97.06496	11.7
98.20689	4.8
105.07014	17.9
107.08599	10.7
109.10181	22.3
119.08590	15.1
121.10142	13.4
133.10132	9.9
134.99661	5.9
135.11685	7.0
143.08638	6.0
145.10085	7.1
147.11673	5.3
151.07494	5.6
151.11198	7.7
157.10205	7.3
159.11726	9.2
171.11618	6.1
199.14790	5.2
238.68575	5.2
239.13972	4.7
247.64511	5.0
277.21603	30.1
295.22708	100.0
296.22858	5.1
298.10883	24.8
299.11563	13.3
313.17905	14.0
313.21570	21.7
314.13843	64.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2372
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.03933	1.7
55.05513	8.9
57.03436	1.5
57.07074	6.9
67.05502	13.3
69.07074	10.6
70.10348	6.7
71.04970	1.9
71.08627	1.7
73.62006	1.2
78.52837	1.1
79.05495	8.2
80.28286	1.2
81.03411	7.3
81.07052	19.0
83.04984	5.5
83.08608	4.9
85.02921	2.5
85.06550	1.7
85.10173	8.6
86.96894	1.0
91.05483	6.8
93.06533	1.3
93.07045	10.7
95.04968	10.3
95.08601	11.4
96.09495	1.0
97.06543	2.4
97.10165	2.8
105.07023	7.5
107.08585	8.7
109.06514	3.5
109.10164	8.6
111.08064	2.2
113.09646	5.8
117.07022	1.7
119.08591	5.7
121.06420	1.2
121.10138	3.6
123.08064	1.8
125.09655	1.9
131.08546	2.5
133.10066	6.1
134.99786	1.3
135.11707	2.0
137.09586	1.2
143.08556	2.3
145.10124	2.5
147.10283	1.3
147.11670	3.0
149.09579	3.1
149.13258	1.7
151.07544	1.5
151.11172	2.9
157.10112	2.8
159.11688	1.5
161.13217	1.7
163.11188	1.3
165.12743	13.6
171.11690	2.0
173.13252	3.1
175.11084	1.4
175.14795	1.2
176.38824	1.2
197.13252	1.2
211.14796	1.2
231.20981	1.2
259.20609	1.5
268.26431	2.8
277.21643	27.3
278.21863	1.7
295.22684	100.0
296.22894	5.8
298.10587	5.4
299.11667	2.2
313.14578	1.6
313.17908	4.3
313.21506	4.0
313.24524	1.3
313.27701	1.6
313.32132	4.8
314.13895	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	313.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	6.1
55.01873	16.2
55.05520	31.9
57.07073	18.4
65.03915	6.5
66.36538	4.6
66.48983	4.9
67.05509	49.6
69.03452	6.3
69.07066	46.8
71.04999	9.8
71.08610	6.5
79.05497	56.5
79.64767	4.3
79.67235	5.2
79.81815	4.5
81.03404	9.8
81.07061	91.1
83.04977	13.3
83.08622	13.5
85.06544	13.9
91.05486	62.8
93.07046	100.0
95.04974	47.1
95.08607	69.6
97.06543	30.8
97.10208	7.7
98.21458	10.7
99.08058	8.4
101.06018	5.5
105.07027	95.2
105.37186	4.8
107.08604	51.1
109.06513	20.6
109.10162	42.6
111.08122	6.5
115.05489	6.3
117.07046	18.9
118.83038	5.4
119.08578	99.6
121.06499	34.0
121.10156	50.5
123.08057	16.0
123.11714	9.3
125.09662	9.4
129.07005	14.2
131.08559	44.3
133.06535	6.7
133.10132	91.3
135.08029	14.6
135.11714	15.8
137.09650	19.6
139.11198	9.8
141.07011	10.8
142.07794	30.9
143.08585	38.6
145.10124	81.8
147.08080	8.6
147.11674	20.4
149.09644	7.4
151.11176	5.9
155.08539	17.3
156.09308	14.9
157.10132	58.7
158.10905	17.2
159.08072	9.6
159.11693	35.9
161.09572	6.7
161.13206	11.0
163.11278	6.1
165.06981	8.1
168.98280	4.9
169.10138	21.3
170.10902	10.3
171.11682	48.3
173.09645	12.1
173.13268	86.0
175.11177	17.4
175.14835	20.3
179.08531	13.6
181.10152	15.3
183.11708	24.1
185.09584	6.3
185.13341	12.6
187.11110	5.6
187.14870	19.1
189.12732	5.7
193.10109	5.3
194.10965	11.2
195.11734	13.9
196.12511	9.0
197.13300	22.1
199.14853	23.0
201.12825	5.9
203.10466	5.2
206.10997	7.5
207.11740	9.0
209.13306	22.1
211.14865	20.4
213.12738	6.5
213.16461	6.2
221.13269	15.1
221.15408	5.2
223.63956	4.9
225.12785	5.1
225.16364	8.8
227.14348	7.3
229.19434	6.4
231.17514	6.7
235.14795	6.9
239.14262	11.9
253.19571	4.9
255.17358	6.2
267.21146	5.8
268.31967	5.6
277.21671	19.1
295.19952	35.7
295.23099	15.6
298.10727	29.6
299.11548	11.3
313.17935	17.6
313.21643	60.0
313.27383	12.5
314.13968	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	312.3258
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
55.05494	1.2
57.07061	3.8
70.79783	2.3
71.08622	1.6
72.04501	3.8
75.45803	0.9
80.25443	0.8
85.10151	1.1
86.11476	0.8
95.08559	1.5
102.09176	2.6
111.90856	0.9
116.10723	2.1
123.25162	0.8
130.12343	1.0
144.20398	1.0
250.09906	1.0
253.08083	0.9
290.71616	0.9
300.32803	1.2
312.16132	1.4
312.32611	100.0
313.32709	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	313.216
Annotation	Longithorone K
Peak:m/z	Relative Intensity
53.03941	6.9
53.49406	3.5
54.72930	3.9
55.05502	15.4
56.96559	6.1
57.07071	9.6
57.64415	3.8
63.76627	3.4
67.05516	29.4
69.07066	10.4
71.05013	6.8
71.08623	6.0
71.59998	4.6
77.01667	3.6
79.05505	23.2
81.03424	6.4
81.07057	51.7
81.49906	3.7
83.04967	11.5
83.08610	7.2
85.06521	5.9
89.83739	3.7
91.05482	28.1
93.07047	63.9
95.04974	25.3
95.08603	57.2
97.06541	10.9
102.40683	3.6
105.07026	44.2
107.08589	42.0
109.06520	9.9
109.10130	21.0
117.06969	7.4
119.08578	41.4
121.06507	46.5
121.10129	25.5
123.08082	4.9
123.11720	6.6
128.06227	6.9
129.07013	7.4
131.08563	25.5
133.10150	35.2
135.08083	9.6
135.11714	10.7
135.68198	4.0
141.06940	5.3
142.07762	6.2
143.08572	15.3
145.10120	25.8
147.08067	5.6
147.11699	13.0
149.09692	5.9
151.07591	6.1
155.08557	11.2
156.09354	11.9
157.10115	26.0
158.10956	9.0
159.11691	23.8
161.09648	7.0
161.13326	4.4
163.11163	4.3
168.09433	4.6
169.10132	15.5
169.45279	4.1
171.11658	20.7
173.13264	39.5
175.11266	4.6
175.14792	25.1
181.10086	9.9
182.10843	5.1
183.11739	12.8
185.09705	4.5
185.13321	7.5
186.14195	4.6
187.11183	6.3
187.14793	12.2
189.12808	4.4
191.14316	10.3
195.11742	8.9
196.12560	6.2
196.14897	4.0
197.13327	19.1
199.14873	9.4
207.11771	5.0
209.13396	6.1
211.14842	14.7
213.12723	9.1
215.14299	4.9
221.13341	5.5
225.16368	9.0
227.17921	3.8
231.09045	5.6
237.16328	4.3
239.14337	9.9
241.12411	4.5
251.18057	5.1
257.15472	7.5
267.21094	4.8
291.12750	9.6
295.20383	23.8
298.10773	13.6
299.11575	9.8
309.13828	6.6
313.06973	9.9
313.14551	6.4
313.18219	7.5
313.21570	100.0
314.13873	33.0
314.21942	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	312.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.2
55.01857	2.7
57.03427	4.4
59.05012	0.9
61.02923	8.6
64.52930	0.8
69.03427	14.3
69.07068	10.5
69.93556	4.1
70.06611	0.8
71.04977	2.4
73.02893	4.8
74.27263	0.8
81.03410	6.8
85.02900	100.0
87.04471	2.0
87.08100	15.2
91.03960	6.7
97.02887	25.3
99.04453	3.3
105.09151	2.5
109.02874	6.4
127.03915	25.1
133.08583	4.8
134.99684	0.8
142.54854	0.7
145.04950	46.6
150.05466	2.9
157.87967	0.8
163.06023	13.3
180.08739	1.0
246.05374	0.7
295.13989	1.1
312.18143	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	312.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01869	0.3
56.96569	1.6
57.03440	0.8
57.07065	0.7
59.04990	0.2
61.02925	1.4
69.03433	2.6
69.07074	0.2
69.68383	1.2
69.69626	0.1
70.06584	0.3
71.04993	0.3
73.02914	0.7
73.58926	0.2
74.09724	3.2
78.11901	0.1
81.03422	1.0
84.08150	0.2
84.96030	0.2
85.02902	4.1
85.06511	0.2
86.09696	0.4
87.04460	0.5
91.03957	0.2
94.84682	0.2
95.06098	1.2
97.02893	2.2
98.21495	0.2
98.97582	1.5
99.04457	0.4
108.05602	0.4
109.02889	0.5
109.05130	0.7
110.97546	0.3
113.03471	0.4
116.98587	1.0
119.01864	0.2
127.03896	0.9
128.98607	0.5
131.00162	0.2
132.08067	0.2
132.10284	0.2
133.05090	7.6
134.99628	0.6
143.03381	0.2
145.04935	0.3
146.99622	0.3
149.01215	0.2
150.07750	100.0
151.08177	1.3
158.99622	0.3
169.04506	0.2
174.99191	0.2
177.00748	0.3
183.71156	0.2
189.00739	0.3
209.12848	1.0
215.49258	0.2
219.01848	0.2
232.96333	0.2
237.02866	0.5
238.03705	0.2
268.20322	0.7
295.07047	0.2
297.06671	0.2
312.13025	32.6
313.13306	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	312.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78175	0.6
53.03933	1.7
55.01870	3.6
55.05497	0.7
57.03439	5.1
59.04989	1.0
61.02929	11.2
61.49469	0.5
67.05507	1.1
69.03428	17.4
69.07070	16.4
69.60572	2.0
69.61003	2.0
70.06581	0.9
71.05005	2.7
72.08152	1.2
73.02923	4.6
73.06554	0.9
75.23620	0.5
81.03416	8.3
81.07043	0.9
84.08140	1.4
85.02904	100.0
86.03217	0.9
86.09702	1.0
87.04465	2.7
87.08101	6.0
91.03960	7.6
95.04970	0.5
97.02891	25.5
98.97583	0.9
99.04462	4.4
100.90923	0.5
101.02342	0.6
101.06055	0.7
101.57302	0.5
105.09158	1.5
109.02884	8.5
115.03973	0.8
115.07553	0.7
115.83449	0.5
116.98595	0.9
118.06509	0.6
121.10168	0.6
122.06083	0.6
123.04441	0.7
127.03915	26.9
128.10713	0.5
129.10165	0.7
131.04884	0.6
133.02849	0.7
133.08603	3.8
136.07579	0.8
145.04961	45.1
150.05501	12.3
151.05838	0.6
158.97498	0.6
163.06012	10.4
170.03508	0.5
179.03395	8.5
180.08704	0.8
186.07492	0.7
186.96901	0.6
192.06573	0.7
209.11243	0.6
210.05875	2.3
250.96278	0.9
259.11987	0.7
266.04865	0.6
268.97546	0.6
295.13895	0.8
303.01059	0.5
303.04913	0.4
307.12442	0.6
312.18094	3.3
312.25626	0.6
312.32751	0.8
313.12598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03947	1.0
55.01865	0.7
55.05513	38.8
57.03437	16.2
57.07076	18.6
58.43547	0.5
63.40522	0.5
67.05218	0.6
67.05507	6.5
67.07965	0.5
69.07068	42.7
70.07406	1.1
70.78506	1.0
70.78856	1.3
71.05006	0.6
71.08632	11.5
75.51524	0.7
79.05502	3.2
81.07061	7.6
83.05004	0.9
83.08621	36.2
84.08963	0.6
85.10175	4.3
91.05469	0.7
93.07053	4.8
95.08608	5.9
97.06546	3.8
97.10174	25.6
103.31367	0.7
107.08600	3.2
109.10154	2.5
111.08079	2.2
111.11722	8.1
115.07457	0.6
121.10151	4.9
123.11672	1.4
125.09593	1.6
125.13258	2.0
135.11708	4.2
139.11200	1.3
139.14813	0.8
149.13300	2.2
163.14848	1.2
167.14305	0.6
170.76468	0.6
191.46550	0.6
209.11702	1.7
219.21123	1.5
237.11157	1.0
237.22083	0.6
244.75558	0.6
311.25812	100.0
312.26074	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	311.258
Annotation	2-(5-Methoxy-5-methyltetrahydro-2-furanyl)-6,10-dimethyl-5,9-undecadien-2-ol
Peak:m/z	Relative Intensity
53.03936	1.9
55.01868	0.6
55.03429	0.4
55.05511	39.8
57.03438	15.3
57.07077	19.6
58.07383	0.6
65.00412	0.4
67.05513	6.8
69.07067	44.5
69.36839	4.9
70.07394	0.6
71.04993	0.8
71.08629	10.8
73.02887	0.5
79.05493	5.1
81.06582	0.7
81.07053	9.4
83.04976	0.9
83.08617	38.1
85.10180	4.2
89.17741	0.5
91.05462	0.9
93.07041	5.2
95.04945	0.5
95.08604	6.6
96.71434	0.4
97.06533	3.9
97.10168	27.3
98.10479	0.7
99.08090	0.7
105.07008	0.6
107.08596	3.9
109.10129	2.4
111.08081	1.7
111.11716	7.4
112.12115	0.5
121.10136	5.9
123.11716	1.7
125.09622	1.2
125.13252	1.6
135.11682	4.7
135.84334	0.4
137.13220	1.2
139.11168	1.3
139.14783	0.8
147.11777	0.5
149.13228	2.3
153.05492	0.7
153.12747	0.7
163.14844	2.1
209.11670	3.3
219.21069	2.0
237.11235	1.7
237.22122	0.9
255.12259	0.7
311.25803	100.0
312.26120	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	311.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	79.2
57.03440	28.7
57.07071	51.7
67.05493	36.7
69.07066	100.0
69.30565	83.5
69.30994	52.5
71.08627	15.4
79.05480	24.4
81.07040	74.3
83.08608	55.5
91.05473	43.7
93.07035	94.2
95.04971	50.3
95.08617	59.4
97.06532	30.8
97.10178	28.7
98.20767	24.7
105.07043	55.7
107.08597	59.7
109.10153	27.8
116.43852	11.2
119.07802	14.6
119.08591	74.8
121.06498	13.2
121.10160	49.7
129.06993	14.2
131.08551	23.3
132.63315	11.4
133.10135	28.0
135.07991	12.3
135.11656	13.0
140.75784	14.1
145.10168	35.7
149.13237	13.3
157.10184	26.3
159.03168	10.6
159.11702	47.7
164.74184	11.4
171.11789	17.5
195.23859	12.8
197.13214	12.8
205.44908	14.0
209.11760	31.0
237.11163	22.6
240.74536	12.0
253.97267	14.1
268.82193	12.2
271.82315	12.8
311.26028	78.7
311.31424	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01874	30.8
55.05518	48.9
57.03429	8.1
57.07079	27.5
64.52666	5.9
67.05518	33.6
69.07072	30.7
70.75700	15.5
71.05003	6.6
71.08624	12.9
79.05492	22.1
81.03432	10.5
81.07060	45.3
83.04990	16.2
83.08620	23.9
83.19388	6.2
84.32775	6.4
90.27833	5.2
91.05479	19.8
93.07052	38.5
95.04955	31.5
95.08622	38.9
97.06508	9.5
97.10176	22.5
99.04493	5.9
105.07024	11.8
107.04951	15.0
107.08587	25.0
108.19476	5.4
109.06514	6.7
109.10128	18.2
111.04444	26.1
111.08081	15.1
119.08591	10.5
121.10142	18.8
123.08064	7.7
125.09637	51.1
131.08534	7.2
133.10159	15.8
135.04424	6.4
135.07994	5.4
137.09669	6.1
145.10110	8.2
149.09654	7.8
150.80215	5.4
151.11171	13.3
153.05475	13.0
153.09088	6.3
155.10614	8.6
159.11722	7.8
161.09639	7.6
163.11192	18.0
177.12744	6.4
180.64880	6.1
181.12180	8.1
189.11194	26.6
191.10664	9.6
209.11748	81.8
223.13139	20.0
237.11201	68.7
247.20763	8.2
255.12378	17.6
257.19043	9.1
275.20007	34.4
293.21127	100.0
294.21213	6.4
311.25732	21.4
312.12155	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03924	0.7
55.01868	2.4
55.05516	12.6
57.03419	0.8
57.07082	5.2
64.97302	0.7
67.05508	7.2
69.03412	1.2
69.07070	4.9
69.36414	1.3
69.36828	6.0
71.08637	8.3
79.05490	5.5
81.03421	1.3
81.07057	9.3
83.04976	3.0
83.08618	5.7
91.05479	4.4
93.07052	5.3
94.33756	0.5
95.04979	4.1
95.08611	4.8
97.06510	1.7
97.10178	10.4
99.08094	5.3
105.07051	3.0
107.04970	3.6
107.08585	4.1
108.05776	1.3
109.06499	1.9
109.10176	1.8
111.04439	2.8
111.08073	1.5
115.05461	0.5
117.07000	2.0
119.08593	2.1
120.55766	0.5
121.06506	4.3
121.10146	2.0
123.08072	0.9
123.11676	0.9
125.05957	1.2
125.09642	7.7
131.08588	1.8
133.10144	1.8
135.08054	1.8
135.11678	1.1
137.09601	1.0
145.06398	0.8
145.10126	1.8
147.11739	1.1
149.09572	1.7
149.13255	1.3
151.11166	1.7
153.05484	2.3
156.09337	0.6
159.11800	0.6
161.09506	0.7
163.11169	1.7
177.12740	2.8
181.12312	1.0
181.42216	0.7
189.11226	3.9
189.50826	0.6
191.10582	1.2
209.11734	14.4
211.13287	0.9
237.09038	1.1
237.11230	11.6
247.20636	1.0
255.12190	3.3
257.18857	1.0
275.20117	5.7
293.21109	100.0
294.21472	4.6
311.18600	1.2
311.25934	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01857	7.3
55.05508	33.9
56.96553	6.4
57.03428	6.0
57.07064	11.8
59.04980	2.9
61.06387	2.7
63.12738	2.5
67.05501	72.2
69.03418	10.6
69.07070	47.4
70.27840	13.5
71.05000	4.3
72.77805	2.7
79.05489	40.3
81.03427	4.7
81.07058	76.3
81.12514	2.8
83.04977	11.0
83.08624	27.9
85.02940	3.1
85.06528	7.7
88.35997	2.5
91.05477	33.8
93.07042	39.9
94.57348	2.7
94.84141	2.6
95.04972	14.5
95.08605	56.3
97.06532	32.8
97.10165	20.5
99.08092	7.3
104.17746	2.9
105.07023	41.7
106.07353	2.8
107.04954	4.1
107.08591	43.1
109.06506	9.4
109.10155	45.8
111.08065	8.5
111.11726	6.1
117.07005	9.6
119.08589	38.3
121.06482	7.6
121.10136	24.6
122.09622	4.1
123.08047	6.0
123.11700	8.0
125.09609	16.9
129.06992	4.9
131.08582	19.7
133.10124	28.1
135.08055	6.7
135.11674	10.0
137.09601	11.2
137.13277	4.3
139.07512	3.3
139.11151	6.7
141.06984	8.9
143.08525	6.9
145.10129	19.8
147.07965	3.4
147.11668	16.2
149.09621	16.8
149.13245	9.8
151.11171	4.1
153.07048	3.8
155.08545	4.4
157.10104	5.2
159.11687	12.2
161.09459	2.8
161.13231	4.8
163.11188	6.1
169.06551	7.9
169.10106	5.5
171.11685	3.0
173.09624	4.2
173.11748	12.2
173.13277	7.1
175.11186	3.4
175.14777	3.6
177.12782	4.7
183.11694	6.3
185.13240	5.1
187.07512	8.7
187.11087	3.9
189.11295	6.4
195.11684	3.7
197.13297	4.2
209.11580	4.0
209.13383	4.3
215.07025	16.1
223.13240	3.4
239.17950	7.0
247.20625	3.7
257.19049	15.6
275.20041	100.0
293.21118	27.0
293.28574	4.2
311.05560	3.6
311.12714	46.3
311.16376	13.4
311.29175	5.5
312.13025	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	311.2216
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
55.01868	20.2
55.05516	44.8
57.03420	14.0
57.07064	8.7
60.78470	5.7
61.30387	6.4
63.96696	7.4
66.39849	7.4
67.05505	100.0
67.10185	7.5
69.03409	12.4
69.07063	37.1
71.04988	19.1
71.08630	42.2
71.59858	11.1
73.38246	6.4
79.05486	50.2
79.72958	7.0
80.63763	6.5
81.03429	14.8
81.07055	96.8
83.04984	22.8
83.08626	24.4
85.02907	18.1
85.06562	7.8
88.19133	8.3
89.24239	6.6
91.05500	45.7
93.07044	62.5
95.04979	26.2
95.08607	97.8
97.02921	7.2
97.06530	29.0
99.08086	40.9
105.07018	27.7
107.04963	11.2
107.08616	18.2
109.06525	18.7
109.10164	62.3
110.58034	7.1
111.08138	7.5
117.07010	12.9
119.08573	42.6
121.10148	33.1
123.08058	20.9
123.11713	13.4
125.09641	11.7
129.07002	8.4
131.08569	29.7
133.10141	41.6
135.08073	8.6
135.11711	20.4
137.09584	21.8
139.11185	40.7
145.10117	15.7
147.11714	21.3
149.09653	13.5
149.13332	15.7
151.11198	30.9
155.10651	43.4
157.10092	15.4
159.08151	6.5
159.11684	20.8
161.09612	17.1
163.11243	15.5
165.12732	8.4
173.11765	10.9
173.13261	9.3
177.12790	16.7
191.10732	8.6
191.14317	10.9
195.13786	9.0
257.18982	15.6
275.20084	77.7
293.21127	97.4
311.12781	11.9
311.16293	11.1
311.22473	12.6
312.12033	10.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.67733	6.7
55.01878	6.4
55.05514	37.2
56.96559	6.9
57.07066	24.2
67.05516	33.8
69.07070	33.8
71.04991	6.6
71.08640	6.6
71.60665	10.8
73.00637	6.2
78.41650	7.0
79.05488	21.4
81.03403	15.8
81.07047	40.9
83.04974	27.2
83.08620	29.5
91.05460	20.0
91.71745	6.3
93.07052	32.7
95.04964	12.9
95.08585	29.5
97.06535	16.9
97.10152	8.3
101.59798	6.1
105.07001	14.8
107.08591	25.0
109.10158	9.7
111.04424	21.0
113.05329	6.4
117.07047	7.7
119.08595	12.9
121.10142	15.1
123.08078	6.9
131.08528	10.2
133.10123	12.6
134.99776	5.5
135.08057	9.3
135.11711	12.8
137.09676	6.8
145.10164	10.2
147.11693	7.5
149.09651	13.5
153.05434	23.4
157.10233	8.3
163.11128	13.3
173.09689	7.4
181.12346	8.3
187.14766	7.2
191.10709	10.7
191.85997	6.2
193.12280	11.0
209.11722	100.0
211.11353	7.9
211.13181	31.0
237.11215	66.7
255.12370	24.6
263.06339	6.9
275.20084	21.6
293.18015	11.0
293.21124	58.2
311.16199	15.8
311.25714	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	311.2217
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
52.80159	4.5
54.53333	4.0
55.01861	13.7
55.05505	35.7
57.03432	9.0
57.07072	32.3
62.82930	4.5
64.02975	4.0
65.03941	5.5
67.05506	50.9
69.03429	27.1
69.07066	25.8
69.50138	19.7
69.50561	16.4
74.23130	4.3
79.05499	48.0
81.07053	79.5
81.89199	4.2
83.04984	16.4
83.08633	21.4
85.06536	7.3
87.33624	3.9
91.05474	43.6
93.07037	45.1
95.04953	16.7
95.08613	48.0
97.06541	14.2
97.10179	6.6
99.08120	6.1
105.07034	51.8
107.04964	10.7
107.08604	35.8
109.06517	14.3
109.10162	22.3
111.04462	30.3
111.08095	10.4
115.05475	4.7
117.07028	13.9
119.08592	33.9
121.10131	27.1
123.08027	8.3
123.11710	16.2
125.06046	6.0
125.09673	9.0
129.07005	5.4
131.08563	18.7
133.10161	37.9
135.11717	16.8
137.09624	10.0
143.08557	6.3
145.10135	19.6
147.11679	18.9
149.02338	5.8
149.09630	14.5
149.13216	4.9
151.11201	10.7
153.05479	21.6
155.10661	4.8
157.10188	6.0
159.11664	15.1
161.13194	7.8
163.11165	14.6
165.12639	6.2
171.11804	5.6
173.13272	11.4
181.10147	4.8
181.12218	11.0
185.13219	4.3
191.10680	13.7
193.04933	6.2
197.13281	6.8
209.11707	100.0
213.16406	4.4
221.15274	6.0
235.16870	12.0
237.11197	80.1
255.12274	23.9
257.19104	12.4
260.08429	4.2
265.21652	6.1
275.20062	86.2
293.17416	15.1
293.21033	34.9
311.19809	9.2
311.25082	35.2
311.74805	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	311.2216
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.90538	2.1
53.03946	3.1
54.49832	2.1
55.01876	11.1
55.05509	17.8
57.03413	4.1
57.07079	26.0
67.05503	28.2
69.03419	4.2
69.07076	10.8
70.86685	4.3
70.87009	3.7
71.04970	3.2
71.08636	2.9
71.49357	2.4
79.05499	21.7
81.03407	6.0
81.07066	27.1
83.04974	14.1
83.08630	12.4
88.07598	2.7
91.05475	16.1
93.07033	22.3
95.04967	36.9
95.08600	18.4
96.05823	2.3
97.06535	5.5
97.10175	7.2
99.04436	4.5
105.07033	14.6
107.04949	9.1
107.08614	13.8
109.02912	2.5
109.06517	10.7
109.10164	13.0
111.04437	37.2
111.08081	7.5
117.07005	6.2
119.08578	13.8
121.06519	3.7
121.10139	10.0
123.08028	6.8
125.05975	3.8
125.09627	5.4
127.39893	2.3
129.06938	2.3
131.08542	8.9
133.10121	9.0
135.04378	3.6
135.11676	6.2
137.09612	5.0
139.11131	3.5
140.19145	2.2
145.10143	7.6
147.11703	4.4
149.02342	5.2
149.09613	15.6
153.05464	7.0
155.08615	2.3
155.10631	3.1
159.11690	6.5
163.11220	14.7
166.49629	2.2
172.12909	2.3
173.11728	4.4
173.13171	2.7
181.12225	4.9
187.11099	3.4
189.11189	3.8
191.10652	8.2
193.04979	8.4
196.62570	3.1
200.20117	2.3
205.12279	3.0
209.11734	65.5
209.13657	3.7
210.12001	3.4
223.13341	28.7
237.11212	57.4
238.11572	2.3
239.17979	3.1
255.12257	21.2
257.19037	4.4
275.20074	37.7
293.17880	5.1
293.21082	100.0
294.21439	3.3
311.24591	18.3
311.74698	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	311.2213
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
53.03943	4.4
55.01881	7.4
55.05508	23.0
57.03440	5.1
57.07075	35.4
67.05499	51.9
69.03413	7.5
69.07063	26.4
70.06603	3.6
70.72742	10.2
71.04986	6.8
71.08619	7.8
75.56551	3.3
79.05487	35.1
81.03422	7.8
81.07050	69.2
83.04970	15.5
83.08608	22.8
85.02888	5.2
85.06527	3.8
91.05485	31.2
93.07047	34.1
95.04973	11.3
95.08039	5.8
95.08601	44.0
97.06521	12.0
97.10149	5.9
98.15666	3.4
101.45162	3.3
101.68227	3.4
105.07033	43.1
107.04954	14.3
107.08600	32.0
108.48124	3.1
109.06514	13.8
109.10129	27.3
111.04453	22.9
111.08092	8.7
117.07017	13.0
119.08571	40.5
121.06532	6.5
121.10147	26.7
123.08101	9.1
123.11707	10.7
125.05988	5.7
125.09640	10.4
129.06947	4.7
130.47679	2.9
131.08583	16.2
133.10121	36.5
135.11700	15.1
137.05846	3.6
137.09612	13.2
141.06920	3.1
143.08580	4.3
145.10115	17.7
147.08017	3.7
147.11653	19.4
149.02348	9.2
149.09624	12.4
149.13240	5.6
151.11189	9.0
153.05453	14.0
153.12701	2.9
157.10109	8.7
159.11699	18.7
161.13258	6.1
163.11208	14.2
165.12762	6.2
171.11707	5.1
173.13283	10.5
175.09654	3.9
175.11163	4.3
175.14783	3.5
181.12253	7.6
183.11647	4.4
191.10646	8.2
193.04941	21.9
196.62439	3.7
201.16399	3.9
209.11725	83.0
215.80176	3.5
223.13316	5.2
224.65758	4.6
229.19481	6.0
235.16978	5.1
237.11220	69.3
239.17996	6.5
247.20668	3.7
255.12201	16.3
257.18869	14.5
265.21756	7.7
275.20059	100.0
293.17477	9.2
293.20959	50.1
311.18732	7.7
311.24759	42.4
311.74704	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	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
53.03955	1.5
55.01878	4.7
55.05515	11.2
56.96567	1.6
57.07075	30.8
59.31944	1.2
63.40533	1.2
66.75266	1.1
67.05503	10.1
69.03415	1.9
69.07073	5.6
70.21503	4.3
71.01374	1.5
71.04998	1.3
79.05489	7.4
81.03414	1.6
81.07051	8.6
83.04982	9.7
83.08633	8.3
85.02897	1.5
88.07618	1.0
89.42329	1.1
91.05486	5.2
93.07044	10.1
95.04966	13.4
95.08594	6.0
97.06517	3.0
97.10171	5.3
99.04461	1.6
104.29807	1.2
105.07030	4.9
107.04965	5.0
107.08601	8.7
109.02885	2.8
109.06514	1.8
109.10164	4.3
111.04445	26.7
111.08074	3.5
117.07079	2.2
119.08605	5.0
121.06551	1.7
121.10147	4.2
123.08016	1.5
123.11747	1.4
125.05996	7.7
125.09641	5.2
129.06966	1.1
131.08577	2.9
133.10159	4.5
135.04417	2.7
135.08051	2.7
135.11734	3.7
139.11229	1.4
145.10153	6.6
147.11719	2.3
149.02383	2.0
149.09639	8.9
151.11256	1.5
153.05466	17.0
155.10623	1.5
163.11172	12.6
173.11694	1.6
177.12801	1.7
181.04958	4.9
181.12242	10.1
189.11205	7.9
191.10684	12.9
193.04987	4.2
196.62553	2.0
209.11731	100.0
210.12079	3.7
219.10106	2.2
223.13278	15.3
237.11221	95.5
238.11571	3.9
247.65225	1.2
255.12274	26.2
256.12704	1.9
257.19107	2.1
271.68213	1.1
275.20096	20.7
293.17493	9.8
293.21118	25.9
311.18893	10.5
311.21625	2.0
311.24847	11.5
311.74799	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2217
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01871	13.5
55.05510	42.1
56.96556	2.8
57.03432	8.9
57.07070	19.1
58.09025	2.1
63.50097	2.0
67.05170	3.8
67.05505	61.9
69.03417	3.7
69.07063	29.5
69.53709	2.3
71.04993	9.8
71.08629	5.1
71.59678	3.5
79.05495	37.5
81.03413	8.6
81.07059	66.7
83.04987	18.5
83.08614	31.9
85.02916	5.2
85.06535	5.4
85.17012	2.4
91.05484	34.9
93.07043	46.8
95.04968	29.5
95.08605	48.2
97.02914	4.0
97.06508	12.3
97.10177	14.6
99.04492	2.6
99.08075	3.3
105.07031	33.8
107.04951	11.1
107.08599	35.8
109.02891	2.4
109.06550	11.5
109.10159	31.9
111.04452	15.1
111.08048	11.8
111.11680	2.3
117.07016	15.3
119.08592	27.4
121.06474	5.8
121.10143	20.2
123.08076	10.0
123.11677	11.6
125.05980	5.2
125.09618	14.6
129.07037	4.1
131.08571	17.3
133.10143	31.9
135.04393	3.0
135.08073	6.5
135.11697	19.3
137.09627	12.3
143.08537	4.9
145.10139	20.6
147.08051	2.8
147.11681	13.1
149.09625	28.3
149.13274	4.2
151.11188	10.4
153.05487	9.4
153.12767	4.6
155.08533	2.8
156.14984	2.7
157.10083	3.8
159.11725	10.8
161.09731	3.8
161.13179	3.2
163.11179	28.4
165.12718	4.5
169.10175	4.0
171.11674	4.5
173.09660	3.5
173.13260	8.8
177.12752	6.4
179.10623	2.0
181.12216	4.0
183.11725	3.1
187.11226	5.3
187.14801	2.3
189.11209	7.9
191.10651	7.5
191.14397	3.1
193.04797	2.8
197.13298	2.8
199.71184	2.2
209.11707	51.5
209.13600	2.9
213.16255	2.4
215.18094	2.7
223.13303	22.1
229.19528	6.6
237.11217	33.8
239.18001	6.2
247.20554	5.4
255.12212	11.1
257.19049	12.3
265.21616	7.9
275.20068	100.0
276.20367	2.7
293.17749	2.4
293.21103	73.2
311.16098	4.9
311.22308	11.1
311.25345	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	311.2218
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
52.34099	2.5
53.03938	3.6
55.01873	3.6
55.05515	83.5
57.07083	15.2
58.82942	2.5
67.05514	22.4
69.03413	6.0
69.07076	19.0
70.06590	3.6
70.06853	13.3
71.83703	2.7
79.05505	18.2
81.03423	31.3
81.07070	24.7
83.04981	15.9
83.08627	80.3
85.02895	5.8
91.05463	15.9
93.07054	26.0
95.04967	18.1
95.08613	19.6
97.06541	8.6
97.10172	6.9
98.20757	2.8
105.07023	16.5
107.04934	3.4
107.08588	18.7
109.06528	6.3
109.10149	9.4
111.04449	9.0
111.08102	14.7
119.08596	10.3
121.06502	3.8
121.10149	10.4
123.08041	5.4
123.11702	3.7
125.05992	3.7
125.09610	4.2
129.06995	4.8
131.08549	8.5
133.10143	9.7
135.11707	7.6
137.09628	4.9
139.07605	3.8
143.08571	3.0
145.10194	4.4
147.11702	8.7
149.09653	6.1
151.07634	2.6
153.05484	7.6
153.12790	3.9
157.10115	11.9
159.11714	3.1
163.11211	6.6
175.11195	10.1
181.12294	5.1
191.10651	5.2
193.12271	39.4
204.65041	3.0
209.11754	47.6
211.13310	100.0
223.13223	3.3
227.12798	4.0
237.11182	32.5
247.20450	3.3
255.12344	9.4
265.21350	3.3
275.20102	20.2
293.21130	43.4
311.16348	4.9
311.22397	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	310.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23865	2.2
55.01884	1.9
56.96578	3.0
57.03440	3.7
57.07065	2.8
60.04517	2.4
61.02922	6.1
67.05510	15.5
69.03432	8.9
70.06599	4.1
70.11177	3.4
70.11572	4.7
71.04995	24.6
73.02919	3.8
80.04012	1.7
81.03424	4.4
84.04523	3.7
84.08107	2.1
85.02912	43.3
85.06542	7.3
86.09702	2.3
89.06023	5.6
95.04980	12.6
96.74399	1.9
97.02868	9.2
99.04519	2.9
104.87202	1.8
109.02929	2.5
113.06016	84.9
120.08115	5.3
127.03914	8.6
131.07051	100.0
145.04968	11.8
149.08067	3.7
163.06046	3.9
293.12048	5.1
310.14636	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
55.05508	29.9
55.29612	2.1
56.96555	3.7
57.03425	2.2
57.07072	26.6
59.04990	4.6
61.02901	2.7
61.99987	1.7
65.03945	1.9
66.14295	1.9
67.05504	41.0
69.03423	3.3
69.07066	60.5
71.04984	7.0
71.08627	16.3
71.59908	2.8
79.05489	24.0
81.03404	3.3
81.07053	97.2
82.07390	2.0
83.04974	7.4
83.08616	29.0
85.02895	4.0
85.06530	3.6
85.10186	3.7
91.05474	15.6
93.07042	46.4
95.04975	8.3
95.08603	100.0
96.08947	3.0
97.02909	2.3
97.06550	9.4
97.10165	21.5
98.98473	2.0
99.08078	3.6
105.07020	26.0
107.04912	2.2
107.08591	34.5
109.02893	2.8
109.06516	7.1
109.10152	57.8
111.08099	6.0
111.11729	13.8
117.07065	2.3
119.08586	13.9
119.26396	1.7
121.06492	2.4
121.10142	34.4
122.06010	2.5
122.09634	8.5
123.04484	2.8
123.08058	6.1
123.11697	31.9
125.09632	5.4
125.13254	6.2
133.10139	12.3
135.08037	2.4
135.11699	34.4
136.07521	3.0
137.09630	4.6
137.13243	27.1
139.11177	8.5
145.10114	4.4
147.07964	2.7
147.11705	15.9
149.13248	23.7
151.11174	4.5
151.14824	7.6
153.12697	4.0
157.10089	2.5
159.11690	2.8
161.13258	8.3
162.45808	1.8
163.14821	15.7
164.07101	3.0
165.12772	6.2
165.16405	4.4
175.14839	3.9
177.16400	8.5
179.17862	2.2
189.12724	2.4
189.16490	4.7
191.17949	5.4
203.17938	5.4
217.16263	2.4
217.19598	5.7
225.45718	2.2
245.83931	2.1
247.24200	3.0
263.27435	3.3
273.18420	3.6
273.25784	25.6
285.10275	2.2
286.10510	5.6
291.19583	7.2
291.23737	2.2
291.26797	16.3
309.11386	2.1
309.17505	3.2
309.20953	2.0
309.27826	21.2
310.15289	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	309.2786
Annotation	2,10-Dimethyl-7-(3-methylbutyl)-6-methylenedodecane
Peak:m/z	Relative Intensity
53.03931	2.9
55.01871	5.9
55.05508	43.8
57.03433	8.2
57.07072	9.2
59.04985	2.5
65.03940	2.3
67.05502	31.6
69.03426	5.8
69.07064	60.5
70.07388	1.6
71.04991	11.9
71.08609	2.8
71.59723	1.9
73.02914	2.0
73.06548	1.8
75.04470	2.2
79.05487	17.4
81.03405	1.2
81.07051	100.0
82.00765	1.0
82.07377	1.5
83.04961	3.9
83.08611	20.8
83.33416	1.0
85.02900	29.4
85.06534	19.9
85.10160	1.6
91.05479	7.8
93.07040	29.4
95.04968	6.0
95.08601	84.2
96.08939	2.1
97.02911	1.7
97.06524	8.7
97.10162	63.4
98.10466	1.8
98.43829	1.0
98.97547	1.1
98.98449	2.1
99.04465	1.1
99.08085	12.5
101.06006	2.1
105.07032	11.5
107.04951	1.5
107.07858	1.8
107.08585	30.2
109.02891	1.5
109.06498	4.4
109.10152	49.0
110.10474	2.2
111.04453	1.1
111.08070	38.0
111.11695	12.1
113.09620	2.8
116.98650	1.4
117.07027	2.0
119.08569	8.2
121.06429	1.2
121.10132	21.6
123.08076	5.2
123.11700	44.6
125.05988	1.0
125.09615	20.7
125.13328	1.1
127.03922	1.6
127.07548	3.1
127.11187	1.9
129.05493	6.2
129.06985	1.4
131.08554	2.2
133.10129	9.5
134.10341	1.2
135.07991	2.2
135.11671	13.1
137.09599	3.8
137.13235	14.6
139.11191	6.4
141.09055	1.1
143.08507	1.1
143.10664	25.1
145.10095	4.0
147.06487	5.2
147.11687	5.8
149.09607	1.3
149.13249	20.7
151.07552	1.8
151.11128	2.1
151.14880	5.1
153.12737	5.8
155.14342	1.0
157.10095	1.8
157.12268	1.5
159.11687	3.7
161.09673	1.9
161.13232	3.4
163.11139	1.3
163.14799	11.7
165.09067	1.7
165.12781	3.1
165.16422	1.4
167.14313	3.6
171.10237	1.8
171.11674	1.5
175.14789	2.2
177.16377	5.9
181.12227	2.4
187.11180	1.1
189.11237	8.6
189.16391	2.0
191.03270	1.0
191.17931	3.4
193.12109	1.0
193.15916	1.5
203.17897	2.2
209.18953	1.6
217.16017	1.4
217.19434	2.2
221.15428	1.0
245.18723	1.1
245.22667	1.3
247.24194	1.1
263.23679	1.6
273.18481	3.0
273.21948	1.3
273.25787	3.7
281.12021	1.1
288.64355	1.2
291.19476	7.0
291.23163	10.1
291.26776	30.5
292.26920	1.4
309.03812	1.1
309.11551	2.0
309.14789	1.3
309.20547	3.7
309.24185	19.5
309.27838	26.4
310.20184	1.9
310.24216	2.6
310.28253	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	309.2423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91254	15.0
55.05497	45.2
55.73075	12.9
57.03423	23.1
59.05022	20.5
67.05502	77.9
69.07053	45.9
71.08626	55.8
79.05479	66.8
81.07055	96.0
83.04935	20.6
83.08635	28.9
85.02863	16.8
85.06578	13.9
88.72739	13.6
91.05472	44.0
93.07070	76.1
95.04961	32.5
95.08604	66.2
97.06558	15.5
97.10142	21.1
99.08094	53.2
105.07034	39.7
107.04879	15.8
107.08575	64.4
109.10130	66.4
119.08566	32.7
121.10172	35.6
125.09601	19.5
135.11722	23.9
149.13252	22.9
151.11163	27.1
153.12740	14.0
161.13271	28.0
163.11162	19.4
179.14322	100.0
277.21616	93.3
291.19525	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	309.2786
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.9
55.01871	5.9
55.05508	43.8
57.03433	8.2
57.07072	9.2
59.04985	2.5
65.03940	2.3
67.05502	31.6
69.03426	5.8
69.07064	60.5
70.07388	1.6
71.04991	11.9
71.08609	2.8
71.59723	1.9
73.02914	2.0
73.06548	1.8
75.04470	2.2
79.05487	17.4
81.03405	1.2
81.07051	100.0
82.00765	1.0
82.07377	1.5
83.04961	3.9
83.08611	20.8
83.33416	1.0
85.02900	29.4
85.06534	19.9
85.10160	1.6
91.05479	7.8
93.07040	29.4
95.04968	6.0
95.08601	84.2
96.08939	2.1
97.02911	1.7
97.06524	8.7
97.10162	63.4
98.10466	1.8
98.43829	1.0
98.97547	1.1
98.98449	2.1
99.04465	1.1
99.08085	12.5
101.06006	2.1
105.07032	11.5
107.04951	1.5
107.07858	1.8
107.08585	30.2
109.02891	1.5
109.06498	4.4
109.10152	49.0
110.10474	2.2
111.04453	1.1
111.08070	38.0
111.11695	12.1
113.09620	2.8
116.98650	1.4
117.07027	2.0
119.08569	8.2
121.06429	1.2
121.10132	21.6
123.08076	5.2
123.11700	44.6
125.05988	1.0
125.09615	20.7
125.13328	1.1
127.03922	1.6
127.07548	3.1
127.11187	1.9
129.05493	6.2
129.06985	1.4
131.08554	2.2
133.10129	9.5
134.10341	1.2
135.07991	2.2
135.11671	13.1
137.09599	3.8
137.13235	14.6
139.11191	6.4
141.09055	1.1
143.08507	1.1
143.10664	25.1
145.10095	4.0
147.06487	5.2
147.11687	5.8
149.09607	1.3
149.13249	20.7
151.07552	1.8
151.11128	2.1
151.14880	5.1
153.12737	5.8
155.14342	1.0
157.10095	1.8
157.12268	1.5
159.11687	3.7
161.09673	1.9
161.13232	3.4
163.11139	1.3
163.14799	11.7
165.09067	1.7
165.12781	3.1
165.16422	1.4
167.14313	3.6
171.10237	1.8
171.11674	1.5
175.14789	2.2
177.16377	5.9
181.12227	2.4
187.11180	1.1
189.11237	8.6
189.16391	2.0
191.03270	1.0
191.17931	3.4
193.12109	1.0
193.15916	1.5
203.17897	2.2
209.18953	1.6
217.16017	1.4
217.19434	2.2
221.15428	1.0
245.18723	1.1
245.22667	1.3
247.24194	1.1
263.23679	1.6
273.18481	3.0
273.21948	1.3
273.25787	3.7
281.12021	1.1
288.64355	1.2
291.19476	7.0
291.23163	10.1
291.26776	30.5
292.26920	1.4
309.03812	1.1
309.11551	2.0
309.14789	1.3
309.20547	3.7
309.24185	19.5
309.27838	26.4
310.20184	1.9
310.24216	2.6
310.28253	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	309.2424
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03944	14.8
55.01870	5.1
55.05511	24.4
57.07070	6.7
66.54309	2.7
67.05506	49.1
68.88799	3.2
69.07069	34.5
70.78479	9.7
71.08603	4.2
79.05490	31.6
81.02984	4.9
81.03421	52.2
81.07055	52.3
83.04971	11.6
83.08603	8.5
85.02926	3.7
85.10231	3.2
91.05474	18.0
93.07050	31.8
95.04972	27.6
95.08588	19.3
97.06512	5.4
97.10167	7.6
105.07018	13.0
105.82442	2.6
106.48508	2.8
107.08598	23.9
109.06512	10.2
109.09488	2.9
109.10126	18.1
109.43250	2.7
111.08051	3.4
113.09664	3.0
117.06991	3.9
119.08591	14.4
121.10130	11.1
123.08084	4.7
123.11684	6.6
125.09621	14.3
129.61751	2.9
131.08546	3.4
133.10178	15.3
135.08092	8.6
135.11685	7.9
147.11707	14.9
149.13249	5.7
151.11182	42.9
153.09070	3.8
157.10176	3.4
161.13261	11.2
163.14815	4.5
165.12723	10.6
171.11661	5.7
175.14868	5.3
179.14322	7.8
195.27718	2.7
203.12794	11.3
207.13881	3.7
210.89227	3.0
231.21107	11.7
241.19402	4.6
249.22134	5.3
259.20578	7.0
277.21609	100.0
283.37033	3.0
291.19760	3.0
302.41058	3.0
309.24426	4.6
310.70013	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	309.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.8
55.01866	4.3
55.05508	17.7
55.42397	2.3
57.03427	3.9
59.20427	2.3
65.03937	3.2
66.30659	2.3
67.05505	29.4
69.03440	2.3
69.07069	14.7
71.04982	3.6
71.31837	3.3
71.32147	3.1
79.05491	30.3
79.05919	4.2
81.03419	4.9
81.07060	47.4
81.18562	2.8
83.04988	3.6
83.08627	6.6
85.06522	2.6
91.05481	43.3
93.07044	82.9
95.04971	58.8
95.08613	41.3
97.06533	27.5
103.05452	4.5
105.07036	74.6
107.04967	2.9
107.08592	41.8
109.06544	13.1
109.10160	22.8
115.05434	2.9
116.04772	2.4
117.07022	20.6
119.08579	71.7
121.06525	8.6
121.10150	100.0
123.08053	12.8
123.11720	5.9
128.06241	9.2
129.06996	11.8
130.07799	6.5
131.08580	35.1
133.10129	35.6
135.08066	5.2
135.11725	13.4
141.06921	3.4
142.07809	18.8
143.08578	29.1
144.09344	8.6
145.10127	51.7
147.08101	4.1
147.11642	12.3
149.09604	3.3
149.13235	2.5
154.07814	3.3
155.08540	9.3
156.09352	8.8
157.10127	33.2
158.11044	4.8
159.07910	3.0
159.11691	42.4
161.09612	9.8
161.13280	6.7
167.08549	5.4
168.09270	2.8
169.10156	16.7
170.10918	7.3
171.11665	22.3
173.13260	19.2
174.47520	2.4
175.11082	2.9
175.14821	11.5
179.08595	2.9
179.67256	2.9
181.10062	5.5
182.10942	3.2
183.11693	11.5
184.12462	2.8
185.13239	11.6
187.11185	13.9
187.14847	18.2
193.10201	6.2
194.10844	3.3
195.11697	5.6
197.13202	13.8
199.14827	9.4
201.12766	3.6
201.16394	3.7
206.10864	3.4
207.11705	5.3
209.13235	10.0
211.14813	8.1
213.16310	5.0
221.13403	3.2
223.14772	6.0
225.12865	3.0
225.16365	6.9
235.14796	6.8
239.17950	4.2
253.15967	6.9
253.19501	3.0
281.22766	6.0
291.21036	10.0
309.22125	71.3
310.22479	3.1
311.40665	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	309.2212
Annotation	Callyspongenol A
Peak:m/z	Relative Intensity
53.03935	7.8
55.01865	3.1
55.05508	20.3
57.03419	3.2
57.07068	7.4
65.28074	2.7
67.05505	29.2
69.07059	19.5
71.08627	3.7
71.32719	3.3
71.33054	3.4
77.03941	3.3
77.82188	2.8
79.05122	3.2
79.05499	30.7
81.03402	7.4
81.06597	3.1
81.07058	49.4
82.07366	3.0
83.04944	5.8
83.08607	7.9
91.05473	44.4
93.07053	63.3
95.04449	3.8
95.04974	50.0
95.08605	42.9
97.06549	14.2
97.10141	7.3
99.08076	4.3
103.05446	2.8
105.07030	77.6
107.08596	45.5
109.06505	11.4
109.10155	25.9
111.08099	4.5
115.05453	3.4
117.07037	18.4
119.08577	56.6
121.06494	10.1
121.09322	5.6
121.10146	87.9
123.08092	9.7
123.11672	8.6
128.06230	8.7
129.07004	12.3
131.08560	34.6
133.10127	38.8
135.08015	6.4
135.11671	14.4
142.07758	11.2
143.08574	27.0
144.09381	4.0
145.06441	3.8
145.09013	5.0
145.10110	45.3
147.07997	6.5
147.11690	12.8
149.09621	6.2
149.13293	4.5
151.11214	4.2
155.08516	9.9
156.09331	9.7
157.10135	32.6
159.08121	6.4
159.11694	41.2
161.09583	8.8
161.13251	11.3
163.11136	4.4
167.08519	6.1
169.10138	16.6
170.10889	3.7
171.11708	23.1
173.13316	16.2
175.14789	10.8
179.08569	6.6
181.10083	5.6
182.10794	3.5
183.11694	14.9
184.12408	3.6
185.09665	3.5
185.13231	10.5
187.11150	11.8
187.14859	18.0
189.12744	3.1
193.10098	4.5
195.11661	12.2
196.12442	4.7
197.13281	17.9
199.11090	3.7
199.14764	10.7
201.12831	4.8
201.16501	6.3
207.11650	10.2
209.13228	13.7
211.14734	9.9
213.16270	5.0
215.14330	6.5
221.13248	5.4
223.14737	4.6
224.11914	3.0
225.16359	12.1
232.26067	3.5
235.14836	9.4
239.17896	7.6
241.19574	4.4
253.15863	8.5
259.20697	3.4
265.19608	3.4
277.21561	7.3
281.22675	8.9
291.20978	10.2
309.22092	100.0
310.22229	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	309.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76057	1.6
53.03938	3.9
55.01873	8.4
55.05511	37.4
56.74334	1.8
57.03430	4.2
57.07084	3.4
67.05509	29.0
68.50485	2.0
69.03420	3.9
69.07063	13.1
70.79432	6.2
71.04980	5.3
71.08632	5.4
79.05492	27.8
81.03429	7.3
81.07060	32.4
83.04983	7.7
83.08619	26.8
87.56868	2.2
91.05481	17.5
93.07050	35.9
95.04968	17.2
95.07989	2.3
95.08603	33.4
97.06503	9.1
97.10159	8.9
98.98469	2.0
99.08096	4.6
105.07035	19.8
107.04955	4.8
107.08604	21.6
109.06513	3.7
109.10140	10.8
111.04423	3.5
111.08091	4.9
115.05351	2.0
117.07004	6.5
119.08585	15.5
121.06548	3.9
121.10155	20.2
123.08063	5.6
123.11707	4.7
125.05960	3.0
125.09650	4.5
129.07028	5.2
131.08545	9.3
133.10139	10.7
135.08060	5.0
135.11708	28.3
139.11198	2.6
140.25056	2.1
142.07793	2.9
143.08559	5.1
145.10121	20.9
147.08070	3.8
147.11710	6.1
149.13304	3.4
151.11176	3.1
153.12730	2.8
155.08560	2.4
157.10117	5.6
159.11716	6.6
161.09651	3.5
161.13309	3.3
163.11171	30.6
169.10072	2.4
171.11670	4.1
173.09715	2.1
173.13275	2.7
175.11182	2.3
175.14777	2.3
181.12233	6.7
183.11617	2.8
185.13287	3.6
187.14908	2.8
189.11311	3.1
189.12764	2.3
193.10394	1.8
193.12247	2.3
195.11621	1.9
197.13303	2.2
209.13435	2.2
227.12787	100.0
228.13138	5.4
253.16064	2.5
259.20404	3.0
273.18439	5.8
277.21585	16.3
291.19510	20.3
292.19858	2.3
309.17038	2.3
309.21408	3.3
309.24640	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	309.2061
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
55.01874	15.3
55.05516	34.6
56.96574	3.8
57.03428	4.0
57.07070	6.0
59.04980	4.3
67.05508	43.7
69.03427	8.0
69.07077	22.7
70.78616	9.6
70.78973	3.4
71.04992	9.3
79.05495	39.7
81.03402	9.4
81.06578	5.6
81.07056	99.7
83.04979	20.6
83.08616	21.7
85.02893	8.1
85.06536	7.6
91.05460	18.1
93.07040	37.1
95.04964	22.6
95.08600	25.1
97.06532	7.7
97.10173	29.0
99.08068	4.1
105.07020	19.0
107.04918	8.0
107.08595	27.5
109.06502	8.2
109.10160	21.6
111.04453	27.4
111.08056	12.7
114.03392	3.1
117.07022	13.2
119.08600	31.4
121.06528	4.7
121.10149	16.9
123.08070	24.8
123.11723	4.8
125.05992	4.3
125.09637	29.0
129.07010	6.3
131.08560	14.3
133.10147	16.5
135.08028	6.7
135.11679	8.2
137.09607	6.6
143.08524	4.9
145.10110	13.1
147.08041	8.9
147.11636	7.5
149.09622	8.1
151.11191	9.3
152.83771	3.5
153.09088	5.6
153.12720	6.8
155.08655	3.5
157.10161	7.3
159.11678	6.5
161.09583	3.8
163.11238	17.6
165.09097	8.1
171.11742	5.3
173.09607	4.0
175.11168	5.4
181.12263	14.5
189.11224	36.9
191.10684	11.2
193.12198	5.9
209.11673	3.6
223.13319	8.3
227.12758	14.9
227.18130	3.5
231.13727	4.7
245.18684	4.5
255.17322	4.4
263.03229	3.4
263.20172	3.7
273.18484	33.7
288.65573	9.6
291.19531	100.0
292.19839	9.7
309.17001	3.2
309.20566	18.2
309.24261	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
52.43059	3.2
53.03955	3.8
55.01862	13.7
55.05311	3.2
55.05511	37.1
56.96547	4.6
57.03433	29.6
57.07084	4.4
59.04990	5.3
60.21896	3.3
62.50323	3.4
65.03941	3.3
67.05505	36.0
69.07053	14.5
69.52989	11.7
69.53422	17.8
71.04980	5.2
79.05492	42.5
79.21217	3.4
81.03406	7.6
81.07056	68.6
83.04970	5.0
83.08614	16.7
85.06516	3.4
91.05475	27.1
93.07036	26.6
95.04971	21.5
95.08609	23.6
97.06526	7.7
97.10170	26.7
99.04477	4.3
99.08078	9.7
100.11225	5.4
105.07024	29.3
107.04939	14.6
107.08574	21.5
109.06515	17.4
109.10133	13.6
111.04407	5.3
111.08067	5.0
117.07016	20.3
119.08583	32.0
121.06497	10.9
121.10168	16.9
123.08041	18.4
123.11745	4.6
125.09686	16.9
129.06956	8.9
131.08557	16.0
133.10158	18.1
135.08051	13.1
135.11693	5.3
143.08580	7.1
145.10143	13.0
147.08008	12.1
147.11617	4.7
149.09657	7.2
151.05641	3.8
157.10046	8.8
159.11682	7.9
161.09535	4.5
163.11241	7.1
171.10205	3.9
171.11659	6.4
175.11113	4.0
180.57512	3.6
182.15442	9.2
189.11176	19.0
193.12158	5.9
195.11879	4.0
199.14833	3.7
210.14981	8.1
217.15813	10.3
219.13799	9.4
223.13287	5.1
227.18015	5.2
245.18925	5.4
249.14917	7.8
255.17372	8.6
255.20181	3.8
263.20135	4.3
268.09244	4.6
273.18533	52.0
285.10095	4.2
286.10583	4.7
291.19543	100.0
292.19901	3.5
309.20651	9.6
309.25412	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	309.2061
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	3.4
55.01887	10.0
55.05515	23.4
57.03440	3.8
57.07080	2.2
59.04998	1.8
65.03934	2.8
67.05508	41.8
69.03431	4.5
69.07067	16.8
70.73753	5.3
71.05002	3.5
71.08631	6.2
79.05067	2.2
79.05501	32.2
81.03414	6.1
81.07062	57.3
83.04990	10.2
83.08623	17.4
85.06535	2.6
88.34075	1.8
91.05478	22.1
93.07043	30.4
95.04975	12.1
95.08609	21.0
97.02939	2.2
97.06554	5.0
97.10168	18.0
99.04441	2.2
99.08098	6.8
102.80112	1.5
105.07021	24.5
107.04964	4.3
107.08592	27.9
108.08905	1.6
109.06527	6.5
109.10157	32.6
111.04437	4.1
111.08123	4.2
111.54891	1.5
115.38438	1.7
117.07031	6.3
118.13355	1.7
119.04953	2.3
119.08575	15.8
121.06512	5.9
121.10162	12.3
123.04549	2.3
123.08054	8.4
123.11723	3.6
125.06055	2.6
125.09632	10.0
125.95818	1.5
129.06987	3.2
131.08537	8.9
133.06535	4.6
133.10126	30.9
135.08061	5.4
135.11732	8.5
137.06053	1.7
137.09573	3.1
138.99446	6.1
139.07539	2.0
143.08597	5.1
145.10152	7.9
147.08047	9.0
147.11716	7.0
149.09630	4.4
149.13220	3.8
151.11198	17.4
153.12785	2.0
156.02116	11.2
157.10133	2.8
159.11703	2.5
161.09633	4.7
161.13324	4.2
163.11208	6.5
165.09094	2.5
169.12260	3.8
171.11650	4.5
175.11230	2.7
179.10622	2.3
181.12300	2.9
183.42191	1.7
185.13310	3.5
187.11121	2.1
189.11243	8.4
189.12770	2.8
193.12291	2.3
203.14397	2.3
210.56712	1.8
213.00099	2.0
217.19534	1.7
223.13335	5.8
245.19055	6.9
255.17380	4.4
263.20096	7.9
273.18491	26.1
277.21631	10.6
291.19550	100.0
292.19879	4.8
301.01648	3.9
303.96600	2.1
309.13211	1.7
309.20667	14.7
309.24411	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	309.2059
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.02428	3.8
53.03942	6.1
53.22610	3.3
55.01862	13.2
55.05510	40.8
56.96563	6.9
57.03229	3.4
57.03437	38.5
57.07069	10.9
59.04979	4.5
60.12906	3.6
65.88722	3.2
67.05508	68.1
69.03416	11.5
69.07071	47.2
69.97079	22.8
71.04981	14.2
79.05495	68.8
81.03403	11.1
81.07057	100.0
83.04980	23.2
83.08618	23.6
85.02911	10.8
85.06528	12.4
87.04449	4.0
89.64193	3.9
91.05479	44.3
93.07050	68.2
95.04981	29.9
95.08612	59.8
97.02916	3.8
97.06535	39.2
97.10174	17.8
98.98500	4.7
99.04468	5.3
99.08099	23.9
105.07040	37.2
107.04958	10.8
107.08601	51.3
109.06525	33.6
109.10163	31.1
111.04427	14.1
111.08095	12.5
111.69675	4.0
113.05988	9.2
115.07568	9.5
117.07026	19.6
119.01901	4.0
119.08590	35.7
121.06496	19.1
121.10150	31.2
123.04435	5.7
123.08070	19.8
123.11716	10.0
125.09637	9.7
127.03902	3.8
127.07571	9.6
129.06995	14.6
130.77089	3.8
131.01955	4.5
131.08577	30.9
133.06477	8.1
133.10155	24.8
135.08080	27.0
135.08963	4.4
135.11693	20.9
135.83629	3.5
137.09587	12.1
139.07451	4.1
139.11169	3.7
141.24397	3.8
143.08580	14.4
145.10123	23.6
147.08058	10.7
147.11667	16.3
149.09624	10.3
149.13275	9.4
151.11165	8.3
153.09177	8.3
153.12766	4.9
157.10144	13.6
159.11682	13.2
161.09625	12.1
163.11186	4.7
165.09134	6.2
171.11697	11.4
173.09686	5.7
173.13257	11.1
175.11197	8.0
177.12718	4.4
183.11679	5.9
185.13228	6.4
189.11234	5.5
189.12752	5.5
193.12299	10.1
195.13773	4.5
199.14818	4.8
201.12711	4.8
210.35721	4.6
216.20912	3.9
217.12344	4.9
217.15854	17.1
220.78506	3.9
221.15334	5.1
223.13249	3.8
231.09030	5.4
233.15338	12.0
245.18869	8.9
249.14972	5.0
251.16391	8.5
255.17458	6.7
263.20108	14.7
266.24802	4.0
273.18506	44.0
277.64801	4.1
283.27692	3.8
291.19516	86.6
291.22815	5.1
296.24655	6.8
309.20602	34.2
315.70395	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	309.206
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03966	2.7
55.01876	15.2
55.05513	17.8
57.03418	3.5
61.73447	2.1
63.70494	2.2
67.05209	2.6
67.05509	23.1
69.07060	4.9
71.04586	2.1
71.04953	9.9
79.05495	29.7
81.07059	60.7
83.04983	25.9
83.08615	7.4
85.02892	3.6
85.06551	2.7
91.05486	16.2
93.07050	20.1
95.04983	11.1
95.08607	6.8
97.06515	4.1
97.10160	8.9
99.04424	2.6
99.08094	2.2
101.24068	2.1
105.07044	12.3
107.04959	5.2
107.08628	10.9
109.06504	17.2
109.10164	9.6
111.04448	32.4
111.08089	13.2
117.07013	8.3
119.08577	22.8
121.06487	6.8
121.10136	9.8
123.08080	7.4
125.09630	8.0
129.07034	2.9
131.08539	7.9
133.10167	2.9
135.08031	7.8
135.11664	8.1
143.08557	4.7
145.10141	13.7
147.08046	10.6
153.12732	7.9
155.02371	2.2
157.10127	4.5
159.08003	3.6
159.11710	4.2
161.09662	3.3
163.11212	12.9
165.09119	2.5
169.47917	2.5
173.09680	3.2
181.12224	18.5
189.11237	6.5
191.10658	14.9
223.13304	7.4
226.06667	2.2
227.12845	7.8
249.14906	6.1
273.18509	24.0
291.19537	100.0
292.19739	5.9
293.33972	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	309.2058
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03936	3.4
55.01865	6.9
55.05271	1.5
55.05511	26.1
55.62043	1.3
57.03431	2.1
59.04988	1.6
61.90030	1.4
67.05501	19.5
69.03410	5.4
69.07069	13.9
69.74418	1.2
70.04519	5.1
70.04944	2.1
70.12752	1.2
71.04994	1.8
75.77444	1.2
79.05489	20.5
79.90437	1.1
81.03402	2.5
81.07062	21.7
82.24743	1.2
83.04986	3.5
83.08609	12.3
91.05478	11.0
93.07048	12.8
95.04941	9.3
95.08598	10.6
97.06519	3.4
97.10166	19.9
98.20764	1.5
105.07039	12.2
107.04945	12.8
107.08583	12.6
109.02827	2.0
109.06491	2.7
109.10130	5.2
111.04440	2.4
111.08106	1.9
117.07018	4.5
119.05000	1.6
119.08575	8.9
121.06487	3.7
121.10132	4.8
123.01794	1.5
123.04463	1.5
123.08085	9.1
123.11687	1.8
125.09637	14.7
126.78013	1.4
129.06969	4.2
131.08569	5.0
133.06519	1.8
133.10112	5.1
134.66670	1.3
135.08023	7.9
137.09605	3.9
143.08583	3.1
145.10097	5.0
147.08040	4.8
147.11676	3.3
149.09569	2.5
149.13235	1.5
151.11157	1.7
157.10135	1.6
159.11703	1.6
161.09590	2.1
163.11176	3.1
165.09172	2.1
165.12706	1.5
171.11656	1.6
173.11763	1.7
173.13257	1.3
175.11168	2.9
189.11195	11.7
193.12260	1.7
199.00591	1.3
221.11606	1.5
222.94073	1.3
223.13252	5.4
227.17863	1.9
233.15506	1.4
237.16440	1.7
249.14960	2.5
255.17477	1.3
273.18420	14.1
291.19540	100.0
292.19824	5.2
309.17197	1.9
309.20514	9.6
309.23779	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	309.2058
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.28325	1.9
55.01878	9.8
55.05511	12.8
67.05501	21.8
69.03429	2.9
69.07058	6.4
69.29881	13.4
69.30308	9.3
70.11704	1.9
71.04990	2.5
73.13689	1.6
79.05491	25.9
80.11687	1.8
81.07059	47.6
83.04980	19.1
83.08612	7.4
85.02890	6.3
85.06547	2.9
91.05482	13.1
93.00067	1.8
93.07035	17.8
95.04960	10.4
95.08617	10.8
97.06508	4.1
97.10167	7.0
98.20709	3.6
99.04443	2.2
102.51880	2.7
105.07026	11.3
107.04961	4.7
107.08585	9.0
109.06528	10.9
109.10154	6.8
111.04440	29.7
111.08093	7.2
117.07011	10.1
119.08568	22.4
121.06503	5.1
121.10151	12.8
123.08073	6.3
125.09635	7.2
129.06996	4.2
131.08549	8.0
133.10118	2.9
135.08044	4.1
135.11678	8.5
143.08618	2.8
145.10127	11.3
147.08046	12.9
147.11681	2.6
149.09607	4.2
153.12776	9.3
161.09647	3.1
163.11201	16.0
165.09212	2.5
173.09601	2.9
181.12231	16.3
185.48212	1.9
189.11197	3.7
191.10658	10.4
198.75410	2.1
209.11748	2.7
223.13293	4.2
227.12820	6.4
227.17915	3.4
249.14902	4.7
255.17471	3.6
273.18506	29.0
291.19543	100.0
292.19812	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	309.206
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
51.90987	2.4
53.03935	7.8
55.01883	6.4
55.05508	19.1
57.03414	5.9
57.07056	3.6
65.03931	4.9
67.05502	44.0
69.03426	5.3
69.07066	35.9
70.32108	2.3
70.78337	5.9
70.78699	5.0
71.04984	7.8
71.84698	2.5
79.05496	44.7
81.03423	20.9
81.07058	100.0
83.04969	11.0
83.08612	7.7
84.47951	2.6
85.06536	5.1
91.05470	33.0
93.07052	44.7
95.04970	16.6
95.08590	26.5
97.06535	10.4
97.10171	3.6
97.29050	2.4
99.08084	8.8
105.07014	23.9
107.04958	44.8
107.08591	24.5
109.06500	30.1
109.10115	10.1
111.04418	3.4
111.08076	3.2
112.39495	2.7
113.05982	3.1
117.07020	11.8
119.08576	19.7
121.06504	7.2
121.10131	19.0
123.04539	3.5
123.08050	9.7
129.06992	10.7
131.08562	13.6
133.06497	4.8
133.10078	13.1
135.08040	10.6
135.11685	11.8
136.32587	3.3
137.06038	2.6
137.09592	5.5
141.06975	3.5
143.08488	3.9
145.06496	3.7
145.10124	16.7
147.08133	3.2
147.11688	11.5
149.09622	17.8
155.08540	4.2
157.10143	5.6
159.11682	7.5
161.09578	7.3
163.11208	15.6
171.11678	6.7
173.09569	14.3
175.11200	12.6
177.12651	4.2
191.10660	3.5
193.12268	10.2
203.10753	3.2
209.11691	3.6
227.12589	4.4
227.18030	5.6
255.17389	4.4
263.20081	5.2
263.97385	2.9
273.18445	19.8
291.19550	47.3
292.19833	3.7
298.96304	2.9
309.20465	18.4
310.25394	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	309.2062
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03939	7.6
55.01862	11.0
55.05518	38.1
56.55657	2.9
57.03188	3.2
57.03440	42.3
57.07084	3.4
58.83873	2.1
59.05000	3.7
65.03940	4.3
67.05175	3.9
67.05508	54.3
67.82780	2.2
69.03432	33.1
69.07075	20.4
70.56904	8.1
71.04987	11.2
79.05067	4.7
79.05495	78.4
81.03408	9.7
81.07064	98.4
82.07380	3.2
83.04972	6.3
83.08619	20.7
85.06547	13.2
91.04966	4.5
91.05486	54.1
92.05814	4.0
93.07049	66.4
95.04985	18.1
95.08612	57.2
97.06511	9.1
97.10176	17.7
98.20755	2.7
98.98463	3.4
99.08121	2.4
100.82755	2.3
105.07037	42.2
107.04961	100.0
107.08601	35.8
109.06519	57.5
109.10172	22.7
111.04444	4.5
111.08073	5.4
113.06023	2.7
117.07021	20.5
119.08597	29.7
121.06523	17.5
121.10156	34.7
123.04440	2.6
123.08076	12.4
123.11655	4.6
125.09629	11.4
128.06186	4.4
129.07034	15.6
129.27167	2.7
131.04871	3.6
131.08577	34.5
133.06493	9.0
133.10133	16.3
135.08098	23.6
135.11728	12.7
137.09636	5.1
138.89418	2.5
143.08609	13.5
145.10132	21.6
147.08054	10.8
147.11722	13.2
149.09624	14.6
149.13287	5.5
151.11189	4.4
155.08597	2.7
156.40681	3.3
157.10143	12.3
159.11673	11.7
161.09654	13.5
161.13321	6.8
163.11176	7.3
165.09091	3.3
165.12523	3.0
167.10616	3.1
171.11684	11.6
172.86891	2.6
173.09711	4.5
173.13344	5.5
175.11205	7.1
183.11678	2.9
185.13277	11.8
187.14915	12.4
189.11185	5.6
189.12624	4.7
193.12253	12.6
195.11794	3.8
199.14832	3.9
203.14326	4.2
205.15881	10.9
207.13774	5.3
213.12720	3.8
217.15829	15.8
221.15324	5.0
223.16988	2.8
227.17986	5.1
231.13789	3.3
245.19075	7.4
249.14894	15.3
249.18434	4.6
255.17459	7.7
263.03070	2.6
263.19995	3.4
273.18494	44.2
291.19574	56.9
309.20602	34.6
309.24057	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	309.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	3.8
55.01868	6.7
55.05513	29.0
56.96570	3.1
57.03434	7.2
57.07078	11.9
58.17855	1.5
59.05001	47.0
60.29850	1.7
65.03944	5.0
67.05170	2.8
67.05506	37.8
69.03426	9.5
69.07072	69.8
70.04068	1.9
70.07420	1.6
71.04997	9.8
71.08623	6.1
71.44147	1.3
71.60877	3.2
73.02918	1.7
73.06566	2.2
75.04485	1.8
77.03871	1.5
79.05494	43.6
81.03428	2.8
81.07058	100.0
83.04966	6.8
83.08627	19.3
85.02909	22.9
85.06538	11.8
85.10139	1.6
86.09698	2.1
87.90789	1.4
91.05483	35.1
93.07050	38.7
95.04980	18.0
95.08609	70.5
97.02914	10.2
97.06542	16.1
97.10171	11.9
98.98447	2.1
99.04460	2.5
99.08059	7.6
100.11233	1.9
103.05486	2.3
105.07034	54.9
107.04935	10.3
107.08595	45.8
109.06525	14.8
109.10159	45.1
110.51992	1.6
111.04453	2.6
111.08087	19.7
111.11725	7.9
113.06026	2.1
115.05473	4.3
117.07031	11.3
117.09135	9.8
119.04951	5.5
119.08583	20.7
121.06503	4.6
121.10145	25.1
123.08107	8.7
123.11721	34.8
124.08539	1.6
125.05962	8.1
125.09641	7.0
127.03975	2.2
128.06230	4.9
129.05467	5.5
129.07018	18.8
130.07875	2.5
131.08572	20.0
133.06464	4.5
133.10136	15.1
135.08040	2.8
135.11694	19.2
137.05989	3.1
137.09637	3.3
137.13263	11.8
139.11200	7.6
141.07013	6.1
142.07780	32.0
143.08553	7.0
143.10672	1.8
144.09326	7.2
145.06517	5.5
145.10165	11.1
147.04417	3.1
147.08034	2.3
147.11710	12.8
149.09584	4.4
149.13268	13.3
151.07523	6.6
151.11189	2.3
151.14812	1.7
152.06178	1.7
153.06938	2.3
153.12782	8.6
154.07747	2.8
155.07053	1.6
155.08508	2.5
157.08803	3.1
157.10130	48.0
158.07286	3.3
159.08089	8.0
159.11691	40.2
161.09570	3.4
161.13237	4.8
163.11189	2.5
163.14827	6.7
165.09151	1.6
165.12724	6.0
167.08562	3.4
169.10196	6.2
170.07196	4.5
171.08083	3.6
171.11644	1.8
172.08807	2.8
173.09416	2.2
173.13258	2.6
175.11227	7.7
175.14827	4.3
177.16371	6.1
181.79082	1.5
185.09618	49.3
185.11266	2.6
185.13190	2.1
186.10016	2.0
187.11153	15.1
189.12798	1.9
189.16449	2.8
191.17952	1.7
193.15984	2.1
195.08083	2.3
198.06808	3.8
203.10666	42.5
203.17822	1.8
205.12323	2.3
213.09143	42.7
214.09544	2.8
217.15906	2.2
217.19508	3.7
221.11761	4.9
223.14545	1.5
231.10201	10.0
242.54865	1.5
263.07275	1.4
266.09906	1.8
267.53314	1.7
273.18597	5.3
273.25714	3.8
277.08670	2.6
281.11734	1.8
291.16544	2.4
291.19592	9.1
291.23233	8.7
291.26599	14.9
309.12735	2.4
309.20929	4.8
309.24301	4.3
309.27777	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33951	0.5
52.66884	0.6
53.03938	1.0
55.01865	1.2
55.05510	6.7
56.96561	1.3
57.03442	9.1
57.07072	1.0
57.29844	0.7
59.05000	1.9
60.95843	0.8
61.02909	1.8
67.05511	7.2
69.03436	4.3
69.07069	8.5
69.39600	0.6
69.79793	2.3
69.80215	2.0
71.01352	1.3
71.04994	24.5
71.08621	1.1
73.02918	4.7
75.04481	13.1
79.05502	6.0
81.03418	1.3
81.07061	21.2
82.07394	1.1
83.04977	8.2
83.08624	3.1
85.02907	100.0
85.06554	1.6
87.04468	2.4
91.05488	10.8
92.05819	0.7
93.07038	7.5
95.04974	3.7
95.08614	11.5
96.08961	0.7
97.02888	4.5
97.06523	2.4
97.10183	4.7
98.97614	0.7
98.98450	1.5
99.04474	2.5
99.08099	0.9
101.06026	1.9
103.03972	0.9
104.38356	0.6
105.07036	4.5
107.04948	0.8
107.08585	6.5
108.08128	0.6
109.02865	1.3
109.06517	1.9
109.10166	7.9
110.10492	0.6
111.04451	4.8
111.08107	2.7
111.11732	1.3
113.05993	0.7
116.98603	0.7
117.07050	2.0
119.08582	4.2
121.10142	3.6
122.10507	0.7
123.04471	0.7
123.08093	2.6
123.11723	4.5
125.09655	2.2
127.03951	3.9
129.05493	21.3
129.06989	0.9
131.08598	2.8
133.10123	3.3
134.99529	0.8
135.08026	1.1
135.11731	3.0
137.09624	1.2
137.13280	2.3
138.98912	0.9
139.11212	1.9
143.08575	1.3
143.10745	1.0
145.04968	1.8
145.10126	2.2
147.04526	0.7
147.06528	14.3
147.11707	1.1
149.09689	0.8
149.13292	2.4
150.13652	0.7
150.98914	1.0
151.11264	0.7
153.00545	1.5
153.12743	1.2
157.10182	0.7
157.12262	1.1
159.11693	1.9
161.13252	1.4
163.11212	1.1
163.14795	0.9
165.00552	1.4
165.07610	1.1
171.06566	1.0
174.61737	0.6
188.09258	0.9
189.11263	1.6
189.16409	0.9
191.10732	0.8
205.12215	1.5
235.16914	0.8
236.92365	0.6
255.08676	1.0
263.20163	0.7
263.23831	0.8
273.14853	0.6
273.18384	3.0
288.53424	0.6
291.19623	3.2
291.23239	1.9
291.26730	1.4
309.07684	0.9
309.11481	1.7
309.14896	1.2
309.20804	2.6
309.24173	1.0
309.27435	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01880	3.0
55.05510	9.9
57.03143	0.9
57.03434	15.9
59.04990	1.3
61.02932	1.3
65.03941	1.4
67.05168	0.8
67.05507	10.6
69.03433	4.7
69.07062	3.7
69.61826	2.3
69.62253	2.2
70.06600	0.8
71.01360	3.1
71.04993	25.8
73.02908	5.7
75.04483	14.5
79.05489	10.4
81.03411	8.5
81.07050	10.7
82.06601	0.9
82.07372	0.5
83.04982	8.5
83.08613	2.8
85.02902	100.0
85.06551	1.2
86.06053	1.0
87.04477	2.8
91.05472	8.2
93.07043	9.7
95.04966	27.4
95.08618	5.5
97.02882	6.3
97.06535	2.4
97.10165	2.6
98.09663	0.8
98.21507	1.1
99.04454	2.0
100.07607	0.9
100.11249	2.7
101.06021	1.7
103.03950	2.7
105.07025	8.4
106.79762	0.7
107.04965	4.9
107.08591	6.5
109.02878	4.4
109.06511	4.5
109.10165	6.0
111.04446	5.3
111.08086	1.5
111.11731	0.9
112.07584	0.7
113.06020	0.9
115.05481	0.8
116.70486	0.5
116.98612	0.7
117.07002	3.3
119.04946	1.7
119.08578	5.7
119.53237	0.6
121.06512	2.7
121.10146	3.4
123.04427	16.7
123.08071	2.3
123.11703	1.8
125.06023	1.1
125.09617	2.0
126.09133	1.4
127.03909	3.7
127.11200	0.8
129.05484	22.0
129.06915	3.3
129.12767	1.1
131.08565	3.9
133.06462	1.6
133.10144	3.3
135.04402	0.8
135.08064	1.6
135.11662	3.6
137.05984	1.8
137.09596	0.7
139.03865	1.6
142.07767	1.0
143.07034	0.8
143.08577	1.9
145.04926	1.9
145.10109	5.5
147.06525	15.2
147.08028	2.1
147.11682	3.1
148.11168	0.7
149.05988	1.1
149.09618	1.9
149.13231	0.6
151.07607	1.4
151.11208	0.7
153.09077	1.4
155.08516	0.9
157.10133	1.7
159.08060	1.5
159.11681	1.7
161.09688	0.9
161.13217	0.7
163.11180	6.8
165.07591	1.7
165.12796	0.7
171.06483	1.2
171.07994	0.9
171.11681	3.5
173.09621	2.4
173.13345	1.1
175.08742	1.0
175.11169	0.8
182.15398	7.3
185.09583	1.4
185.13194	0.7
189.12752	4.2
191.10672	2.0
199.11145	1.2
203.10732	1.1
207.13797	5.2
210.14983	1.4
213.09106	1.9
217.12198	3.9
227.14381	0.7
231.10403	0.7
235.13275	19.5
245.15524	1.1
255.08675	0.9
263.16492	1.6
273.09711	0.9
281.11835	0.7
288.07104	0.6
291.16183	1.1
291.19321	0.8
295.71982	0.7
309.11453	2.1
309.16998	29.0
309.21362	3.4
309.24606	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01880	3.0
55.05510	9.9
57.03143	0.9
57.03434	15.9
59.04990	1.3
61.02932	1.3
65.03941	1.4
67.05168	0.8
67.05507	10.6
69.03433	4.7
69.07062	3.7
69.61826	2.3
69.62253	2.2
70.06600	0.8
71.01360	3.1
71.04993	25.8
73.02908	5.7
75.04483	14.5
79.05489	10.4
81.03411	8.5
81.07050	10.7
82.06601	0.9
82.07372	0.5
83.04982	8.5
83.08613	2.8
85.02902	100.0
85.06551	1.2
86.06053	1.0
87.04477	2.8
91.05472	8.2
93.07043	9.7
95.04966	27.4
95.08618	5.5
97.02882	6.3
97.06535	2.4
97.10165	2.6
98.09663	0.8
98.21507	1.1
99.04454	2.0
100.07607	0.9
100.11249	2.7
101.06021	1.7
103.03950	2.7
105.07025	8.4
106.79762	0.7
107.04965	4.9
107.08591	6.5
109.02878	4.4
109.06511	4.5
109.10165	6.0
111.04446	5.3
111.08086	1.5
111.11731	0.9
112.07584	0.7
113.06020	0.9
115.05481	0.8
116.70486	0.5
116.98612	0.7
117.07002	3.3
119.04946	1.7
119.08578	5.7
119.53237	0.6
121.06512	2.7
121.10146	3.4
123.04427	16.7
123.08071	2.3
123.11703	1.8
125.06023	1.1
125.09617	2.0
126.09133	1.4
127.03909	3.7
127.11200	0.8
129.05484	22.0
129.06915	3.3
129.12767	1.1
131.08565	3.9
133.06462	1.6
133.10144	3.3
135.04402	0.8
135.08064	1.6
135.11662	3.6
137.05984	1.8
137.09596	0.7
139.03865	1.6
142.07767	1.0
143.07034	0.8
143.08577	1.9
145.04926	1.9
145.10109	5.5
147.06525	15.2
147.08028	2.1
147.11682	3.1
148.11168	0.7
149.05988	1.1
149.09618	1.9
149.13231	0.6
151.07607	1.4
151.11208	0.7
153.09077	1.4
155.08516	0.9
157.10133	1.7
159.08060	1.5
159.11681	1.7
161.09688	0.9
161.13217	0.7
163.11180	6.8
165.07591	1.7
165.12796	0.7
171.06483	1.2
171.07994	0.9
171.11681	3.5
173.09621	2.4
173.13345	1.1
175.08742	1.0
175.11169	0.8
182.15398	7.3
185.09583	1.4
185.13194	0.7
189.12752	4.2
191.10672	2.0
199.11145	1.2
203.10732	1.1
207.13797	5.2
210.14983	1.4
213.09106	1.9
217.12198	3.9
227.14381	0.7
231.10403	0.7
235.13275	19.5
245.15524	1.1
255.08675	0.9
263.16492	1.6
273.09711	0.9
281.11835	0.7
288.07104	0.6
291.16183	1.1
291.19321	0.8
295.71982	0.7
309.11453	2.1
309.16998	29.0
309.21362	3.4
309.24606	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14473	0.4
53.03938	0.7
55.01858	1.3
55.05503	3.0
56.96548	0.5
57.03434	10.0
59.04989	1.4
61.02919	1.6
67.05512	2.0
69.03421	4.2
69.07038	0.6
69.59664	1.5
69.60099	1.4
71.01344	1.5
71.04989	24.0
73.02911	5.5
75.04478	13.3
79.05486	1.1
80.66029	0.4
81.03422	1.7
81.07051	1.8
82.76259	0.4
83.04977	6.3
85.02901	100.0
85.06516	0.4
86.03233	0.8
86.06056	0.5
87.04458	3.0
90.37064	0.5
91.05477	1.8
93.07042	1.5
95.04980	2.4
95.08611	1.1
97.02888	4.9
97.06541	0.7
98.97565	0.5
99.04453	1.4
101.06011	1.7
101.28236	0.4
103.03947	1.4
105.07016	1.5
107.04941	0.7
107.08582	1.3
109.02897	1.4
109.06507	1.1
109.10156	1.4
111.04418	2.6
113.05991	0.4
116.98619	0.6
117.07030	0.6
119.08559	0.9
121.10137	1.0
123.04356	0.8
123.08094	0.7
123.11702	0.4
125.09691	0.4
127.03919	3.2
129.05473	22.4
129.07005	0.7
131.04922	0.5
131.08545	1.9
133.06473	0.4
133.10101	0.9
137.06024	0.9
137.09616	1.1
143.08543	0.6
145.04961	1.2
145.06522	0.4
145.10080	0.9
147.06509	16.1
147.11754	0.5
151.07597	0.6
152.07106	1.2
153.07368	1.2
157.10130	0.7
159.06720	0.5
159.08025	3.1
159.11682	1.0
163.07521	0.5
165.07559	1.1
171.06567	1.2
175.96422	0.4
177.09201	0.6
185.09639	0.8
187.07544	0.5
203.08751	0.5
203.10701	0.6
205.08633	0.5
222.84325	0.4
223.09827	0.6
225.07471	0.5
235.13358	0.7
255.08702	0.6
273.09824	0.5
273.18805	0.4
277.08487	0.5
277.57202	0.4
291.22968	0.5
309.11429	2.0
309.17053	1.1
309.20676	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	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.8
55.05508	3.2
56.96563	0.9
57.03154	0.7
57.03434	10.4
59.04996	1.8
60.24288	0.5
61.02919	2.6
65.03928	0.5
67.05498	1.6
69.03425	3.9
69.07085	1.3
70.06599	0.6
70.96084	1.8
71.01350	1.6
71.04995	25.0
71.41917	0.5
72.08153	0.6
73.02917	4.2
75.04478	12.3
79.05482	1.0
81.03415	1.5
81.07066	1.3
83.04974	5.7
83.08614	1.0
84.08142	1.4
84.28120	0.5
85.02905	100.0
86.03239	0.7
86.06099	0.5
86.09702	1.5
87.04483	2.7
91.05487	1.8
93.07059	1.2
95.04993	1.4
95.08596	1.0
97.02898	5.1
97.06558	0.7
98.97569	0.6
99.04462	1.7
101.06009	0.7
103.03957	1.4
105.07030	1.5
107.08571	1.2
109.02900	1.5
109.06562	0.6
111.04433	3.7
119.08565	1.0
121.10149	0.8
123.04436	1.1
123.08042	0.7
124.07618	1.1
127.03907	3.9
129.05482	24.2
129.10249	0.7
131.08612	0.9
135.08073	0.6
145.04973	1.7
145.10152	0.8
147.04457	1.9
147.06514	14.9
147.11824	0.7
151.03935	0.5
165.07690	0.8
171.06512	0.8
175.79297	0.6
235.13194	1.0
255.08665	1.0
264.61475	0.7
273.12341	0.7
291.13336	1.1
302.17651	0.6
309.11591	1.7
309.14594	0.9
309.17725	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	309.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21460	0.3
53.03940	0.6
53.65492	0.3
55.01867	0.8
55.05511	2.5
57.03436	10.4
59.04995	1.3
61.02923	2.1
67.05520	0.4
69.03423	2.9
69.07050	0.5
70.86208	0.9
71.01349	1.5
71.04992	24.0
73.02920	5.1
73.20617	0.3
75.04482	13.1
79.05492	0.7
81.03429	1.3
81.07047	0.8
83.04985	5.7
85.02904	100.0
86.00135	0.3
86.03249	0.3
87.04485	2.6
91.05488	1.3
93.07060	0.5
95.04964	1.1
95.08611	0.4
97.02885	3.5
97.06519	0.4
98.97619	0.8
99.04459	1.4
101.06011	1.3
103.03952	1.2
105.07013	0.8
107.01421	0.3
107.08597	0.5
109.02879	1.0
109.06501	0.3
111.04436	1.9
116.98611	0.6
119.08580	0.9
119.44160	0.3
123.04460	0.7
127.03934	3.4
129.05479	26.5
131.08569	0.6
133.10201	0.3
134.99649	0.4
137.06023	0.3
139.03970	0.3
145.05000	1.8
145.10092	1.1
147.06522	15.2
147.11703	1.5
159.11713	0.4
161.09677	0.4
163.05983	0.4
163.11203	0.6
165.07558	1.0
169.04953	0.5
171.06628	0.5
171.11659	0.4
175.11258	0.3
209.93044	0.3
211.06192	0.4
237.02834	0.6
255.08727	0.7
283.30460	0.3
291.13437	0.4
309.11652	1.0
309.16998	1.5
315.58588	0.4
327.07620	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01871	1.6
55.05516	3.5
57.03440	11.6
59.05009	1.0
61.02923	2.5
65.03923	0.8
67.05502	2.0
69.03436	5.3
69.07071	1.8
69.31165	5.6
71.01356	1.6
71.04995	24.3
73.02911	5.3
74.94559	0.8
75.04483	13.2
79.05496	2.8
81.03418	2.0
81.07056	2.9
83.04986	6.2
83.08612	0.7
84.08147	0.7
85.02908	100.0
85.06535	0.8
87.04472	2.9
91.05481	4.4
93.07040	1.8
95.04986	3.8
95.05481	0.6
95.08631	1.9
97.02884	5.0
97.06544	1.4
99.04459	2.0
101.06020	1.9
103.03972	1.8
105.07043	2.8
107.04955	1.7
107.08611	2.3
109.02872	1.0
109.06503	1.0
109.10146	3.6
111.04453	2.7
116.06209	0.6
117.07048	1.5
119.08588	1.0
121.10104	0.8
123.04451	1.1
123.11698	0.8
127.03922	3.2
129.05489	24.4
129.07048	1.9
131.08577	4.0
133.10147	0.8
135.11728	0.7
137.05962	0.9
137.09624	0.8
141.07034	1.5
142.07820	0.7
145.04944	1.2
147.06523	14.2
152.07126	4.2
153.07445	2.9
157.10133	1.5
159.08069	7.7
163.11255	0.7
165.07697	1.2
171.06468	0.8
173.42796	0.6
185.09605	0.8
187.07649	1.3
203.10670	0.9
205.08594	1.1
235.13373	1.6
291.13345	0.7
291.23135	0.7
309.11865	1.9
309.17047	2.5
309.20737	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	309.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43988	1.0
54.94757	1.2
55.01876	1.2
55.05514	7.5
56.96564	3.1
57.03445	10.5
58.95443	0.8
59.04993	1.8
61.02917	1.9
67.05495	3.3
69.03441	4.5
69.07061	2.0
69.64024	7.4
70.04107	0.9
70.06598	2.6
71.01364	1.9
71.05000	25.1
72.08170	2.6
73.02933	6.1
74.06054	1.4
75.04491	12.1
76.02248	0.9
79.05495	2.1
81.03422	2.0
81.07054	1.6
81.48512	0.9
83.04996	6.6
83.08630	8.7
84.04494	3.7
84.08128	1.0
85.02912	100.0
85.06541	1.2
86.09726	4.5
87.04477	1.6
91.05484	6.2
91.88831	0.9
93.07059	2.4
95.04965	5.3
95.08594	1.5
97.02888	6.0
97.10173	1.1
98.97578	4.3
98.98511	1.3
99.04440	1.7
99.39239	0.9
101.06042	1.7
103.07596	1.7
105.07037	2.2
107.04967	1.6
107.08585	1.6
109.02863	2.1
109.06509	1.0
109.10156	1.5
111.04446	4.0
111.08101	1.1
116.98626	4.1
120.08125	6.9
121.06583	1.4
121.10145	2.6
122.06044	1.4
123.04429	3.1
124.07617	1.2
127.03937	4.9
128.06192	1.0
128.98650	1.8
129.05495	26.5
129.06973	1.3
129.10257	1.2
131.08568	3.5
133.10133	2.3
134.99654	4.4
135.11717	1.3
137.05980	2.1
138.09137	1.0
145.04955	2.2
145.12271	4.8
146.99661	2.1
147.04411	2.1
147.06535	14.5
147.11659	1.5
149.09596	1.3
152.07114	1.1
157.10178	1.3
158.99666	1.2
159.08032	3.4
161.01208	1.1
161.09686	1.3
163.06105	1.0
163.11115	1.4
163.13292	3.2
163.14684	1.0
165.07648	1.7
166.08687	2.1
175.11192	1.1
177.09129	1.9
179.17409	1.3
208.02898	10.4
232.06213	0.9
235.13255	2.3
237.02881	2.7
273.12326	1.5
291.09793	1.3
291.13120	3.9
291.19806	1.5
292.11795	1.1
309.07532	2.6
309.11099	2.6
309.14233	2.2
309.17352	1.7
327.07590	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	308.2218
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
51.83941	0.2
55.01863	0.2
55.05507	0.6
56.29477	0.2
56.96563	0.3
57.07069	0.7
57.67510	0.2
58.02948	0.3
62.58925	0.2
64.93958	0.2
67.05500	0.7
69.07053	0.7
70.04079	0.4
71.08627	0.4
71.60355	0.3
79.05492	1.5
81.07065	2.0
83.04950	0.3
83.08620	0.4
88.07597	0.2
91.05475	0.8
93.07029	0.6
94.04179	1.5
95.05005	0.3
95.08614	1.0
96.65643	0.2
97.06529	0.2
97.10162	0.3
105.07058	0.4
107.04954	1.2
107.08597	0.4
109.06516	0.8
109.10161	0.5
111.11795	0.2
117.06985	0.3
119.08582	0.3
121.10120	0.2
122.03654	6.1
123.02490	0.3
125.09626	0.3
128.10654	0.4
133.10133	0.3
135.07997	0.5
137.05978	100.0
137.13264	0.4
138.06328	2.2
155.14372	0.2
165.09064	0.3
172.16963	1.3
184.16972	2.9
273.18622	0.3
285.10077	0.4
290.18112	0.3
291.19528	0.7
291.22983	0.4
308.22260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2631
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03926	1.8
55.01867	1.7
55.05515	15.9
57.03414	1.2
57.07082	9.7
59.05003	2.0
63.47070	1.0
65.03930	1.9
67.05174	1.9
67.05507	26.9
69.03416	4.3
69.07069	42.0
70.85944	1.7
70.86282	2.0
71.04982	4.8
71.08624	3.7
78.61215	1.0
79.05495	16.1
81.07060	100.0
83.04976	4.8
83.08628	15.8
84.65034	1.1
85.06532	3.2
88.68289	1.0
91.05489	9.0
93.06467	2.2
93.07047	46.3
95.04968	7.7
95.08612	72.0
97.06525	9.6
97.10173	7.2
99.08091	2.2
100.99364	1.1
105.07040	16.2
107.08601	36.4
109.06519	6.2
109.10160	38.8
111.08099	12.6
111.11713	7.6
117.07035	1.7
119.08556	9.7
121.10140	21.3
123.08050	3.1
123.11720	30.2
125.09605	3.6
125.13276	1.2
131.08554	2.3
133.10135	14.6
135.11710	16.2
137.09596	1.4
137.13257	18.4
139.11185	9.3
140.14526	1.1
145.10146	5.3
147.11685	9.1
149.09596	1.1
149.13268	15.8
151.11186	16.9
151.14819	2.1
153.12737	3.7
155.10732	1.4
159.11653	4.0
161.13277	6.4
163.11177	3.1
163.14815	5.7
165.12749	4.7
167.14314	1.6
169.12248	3.4
173.13290	3.4
175.14810	3.6
177.16446	4.0
179.14261	1.7
181.12140	1.4
187.14838	2.1
189.16327	2.4
191.17975	2.9
195.17300	1.2
200.48669	1.0
201.16362	2.4
203.17937	1.4
207.17451	1.5
215.17964	4.2
219.17316	1.2
245.22887	3.0
271.24286	7.5
289.25275	16.5
307.26379	55.2
308.26718	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	307.2632
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03931	2.0
55.01876	1.3
55.05509	14.9
55.48394	1.0
57.03429	3.7
57.07077	6.7
59.04989	1.4
62.57419	1.0
67.05507	32.9
69.03416	3.7
69.07069	29.0
69.61607	8.3
71.04980	5.3
71.08591	1.4
79.05138	1.1
79.05496	12.8
81.07058	90.6
83.04981	1.3
83.08622	9.5
85.06548	9.2
91.05476	8.9
93.07049	29.4
94.07380	1.3
95.04433	1.1
95.04945	5.4
95.08609	61.8
97.06516	6.3
97.10185	6.5
98.20703	1.1
99.08087	2.9
105.07028	14.3
107.05003	1.7
107.08595	27.3
107.15694	1.0
109.06506	4.6
109.10156	44.3
111.08083	16.2
111.11684	2.4
119.08584	10.7
119.09370	1.5
121.06517	1.2
121.10146	18.2
122.06020	1.4
123.06761	1.9
123.08070	2.5
123.11713	47.4
124.07584	8.1
125.09595	3.5
126.09148	4.5
127.07530	1.3
127.11181	3.9
129.07002	2.2
131.08545	4.0
133.10132	9.8
135.08020	1.6
135.11696	8.6
136.07581	54.6
137.05984	1.2
137.07990	1.3
137.09573	2.1
137.13251	7.9
138.09143	55.4
139.09454	1.8
139.11166	3.8
140.06990	1.6
141.12729	2.7
145.10083	2.5
146.57060	1.2
146.61810	0.9
147.11674	8.1
149.09584	1.2
149.13240	12.5
151.11191	10.1
152.07068	17.4
153.12715	2.5
157.10149	1.1
159.11656	4.3
161.13327	7.3
163.11209	1.3
163.14839	4.8
164.07072	100.0
165.07414	4.0
165.12758	4.3
167.14281	1.8
169.12219	2.8
170.08118	5.4
173.11795	1.6
173.13234	2.3
175.11179	1.4
175.14813	3.5
177.00671	1.2
177.16344	2.9
179.14319	2.4
182.08138	25.1
185.09586	1.0
187.13316	3.6
187.14871	1.5
189.16394	1.6
191.08328	1.2
191.17899	2.5
201.16373	1.4
203.10654	3.2
215.17979	1.8
236.41692	1.1
271.19028	4.0
271.24170	3.9
289.15567	4.8
289.20172	3.5
289.25220	11.1
307.12918	2.1
307.16391	3.5
307.19556	1.7
307.22974	2.1
307.26285	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	2.0
55.05510	23.4
56.96561	1.9
57.03430	3.0
57.07075	9.2
59.04987	2.8
60.74070	1.2
67.05504	27.6
69.03420	4.1
69.07069	49.3
69.88667	6.8
70.06577	2.1
71.01351	1.1
71.04994	9.4
71.06947	1.1
71.08614	4.9
71.81822	1.1
74.94653	1.1
79.05492	18.4
81.07058	100.0
83.05001	5.1
83.05420	1.2
83.08617	18.3
85.06539	5.2
85.10206	1.1
86.06066	1.8
86.85775	1.1
87.04459	1.3
88.07629	1.4
91.05477	8.1
93.07046	43.6
94.07362	1.4
95.04964	8.8
95.08608	76.9
96.08937	1.4
97.06524	10.5
97.10153	7.2
98.97562	2.4
99.08113	1.9
105.07027	17.5
107.04955	1.4
107.08591	35.2
109.06538	7.1
109.10153	45.2
110.10457	1.4
111.08070	12.9
111.11716	7.4
117.07034	2.2
119.08588	13.0
121.06503	3.1
121.09312	2.3
121.10142	29.4
122.09671	1.7
123.08083	3.3
123.11700	30.7
125.06035	2.3
125.09633	5.6
125.13219	1.9
127.07556	1.1
127.11240	1.9
131.08554	4.4
133.10123	12.8
134.00453	1.2
135.08061	2.3
135.11705	16.4
137.09618	3.1
137.12299	2.1
137.13257	21.2
139.11194	9.0
145.10138	6.0
147.11688	9.9
149.09656	1.7
149.13277	17.8
151.11169	10.0
151.14844	2.7
153.12708	4.6
155.10617	2.2
158.57170	1.2
159.10577	1.1
159.11644	5.7
161.09627	1.4
161.13278	5.7
163.11169	5.1
163.14771	6.6
165.12755	3.2
165.16432	1.5
167.14325	2.1
169.12326	1.3
173.13272	4.2
175.14830	4.1
177.16359	4.9
179.14352	2.2
181.12263	2.8
184.46086	1.0
187.14813	1.8
189.16289	2.4
191.17953	3.6
192.13847	1.8
193.15794	2.4
195.17300	1.1
200.20242	1.4
201.16393	2.0
201.20479	2.5
203.18005	2.1
205.19547	1.1
209.18936	2.7
215.18040	2.9
215.59029	2.1
217.19435	1.4
229.62303	1.6
233.15790	1.3
233.18855	1.3
245.22946	6.9
264.19559	2.9
267.09122	1.4
271.24277	8.6
285.10107	2.9
289.18390	1.6
289.21866	1.6
289.25272	14.7
290.14606	1.2
290.21307	1.9
307.18753	3.8
307.26401	63.0
308.26678	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	307.263
Annotation	9-Hydroxygeranyllinalol
Peak:m/z	Relative Intensity
51.12114	1.2
53.03938	2.4
53.09008	1.3
55.01843	1.9
55.05259	2.0
55.05510	25.4
57.07082	9.8
59.04990	2.9
59.37941	1.4
59.97730	1.2
67.05503	36.5
68.63048	1.2
69.03416	3.7
69.07069	80.8
70.06577	5.0
70.31887	4.8
71.04996	11.1
71.06929	1.9
71.08607	4.7
72.00909	1.4
73.02905	1.7
79.05483	14.8
81.07057	100.0
83.04961	7.4
83.08618	22.4
85.06551	8.9
88.07635	1.6
91.05479	8.1
93.07042	36.8
95.04977	6.4
95.08605	76.0
96.34736	1.5
97.06522	8.1
97.10184	9.6
99.08095	5.3
102.09123	1.6
105.06393	1.7
105.07037	18.5
107.08600	34.5
109.06525	5.5
109.10157	58.3
111.08061	10.3
111.11723	19.1
113.09681	1.6
117.56342	1.4
119.08581	12.5
119.10986	1.5
121.10133	28.9
123.08076	2.3
123.11702	48.8
125.09603	4.7
127.11197	3.3
131.08565	3.9
133.10121	8.2
135.08083	2.1
135.11684	20.4
137.09605	2.4
137.13245	16.9
139.11166	19.4
141.12735	3.4
145.10104	5.6
147.11688	9.6
149.13252	22.6
151.11270	2.8
151.14856	2.9
153.12756	2.9
155.10703	1.6
157.10110	1.9
159.11668	5.2
161.13225	8.4
163.11208	1.7
163.14833	7.0
165.12724	3.7
173.13298	5.3
174.37645	1.4
175.14830	6.6
177.16379	5.4
179.14340	1.6
185.15343	1.5
187.14807	2.0
189.16377	4.3
191.17897	3.8
200.20111	1.9
201.16406	2.7
201.20398	3.8
203.17950	4.4
215.17882	3.9
233.18942	1.5
245.23007	13.8
265.25436	2.0
271.24149	9.0
277.25323	3.0
284.06757	1.7
285.10110	3.4
289.18030	2.1
289.22311	2.5
289.25302	20.7
307.26450	81.5
308.26767	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	307.2266
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
50.26850	0.5
53.03933	1.8
55.01858	1.3
55.05262	0.8
55.05507	12.2
57.03425	1.1
57.07056	1.7
59.05001	3.0
65.03916	1.0
66.07623	0.4
66.09523	0.5
67.05500	17.6
67.99940	0.6
69.03421	0.8
69.06725	0.7
69.07066	9.8
70.04054	0.6
70.57159	1.7
71.04990	8.2
73.06532	1.7
77.03921	0.7
79.05489	16.7
81.03415	1.0
81.06582	1.1
81.07052	20.0
83.04961	2.1
83.08617	5.0
85.06544	2.9
87.04453	1.2
87.08093	0.7
91.05475	26.1
91.71732	0.5
93.07035	21.0
94.04160	0.8
95.04977	4.9
95.08602	16.7
96.08910	0.6
97.06520	7.8
97.10152	1.6
99.08082	1.9
103.05459	1.1
105.07024	31.0
107.04921	1.2
107.08591	13.6
108.05737	0.8
108.08931	0.6
109.06515	13.3
109.09453	0.4
109.10148	10.0
110.07285	1.3
111.04472	0.7
111.08058	2.4
115.05464	1.1
117.07008	8.3
119.08577	22.1
121.02884	2.6
121.06495	5.6
121.10143	8.6
123.08057	8.8
123.11671	2.1
125.05968	0.6
125.09650	2.4
127.50145	0.6
129.06970	2.6
131.08569	9.1
133.06477	1.0
133.10121	17.0
135.08035	5.8
135.11702	4.5
136.08836	0.8
137.09631	7.7
139.11151	1.4
141.06966	1.2
143.08556	2.2
145.06554	0.6
145.10106	8.1
147.08012	1.3
147.11678	14.3
148.11983	0.6
149.09615	5.0
149.13220	2.3
151.11174	12.7
153.09106	0.8
155.08524	0.8
157.10120	2.1
159.08049	1.4
159.11681	7.3
161.09621	1.2
161.13248	3.8
163.11168	9.1
163.14809	0.7
165.12750	8.5
167.10754	0.8
169.10100	3.1
171.11702	2.2
172.13651	0.5
173.09579	0.9
173.13229	5.0
175.11246	1.3
175.14816	1.4
177.12692	3.3
179.14296	3.4
183.11670	2.1
185.13274	1.0
187.11169	1.1
187.14857	1.8
189.12802	1.3
191.10675	0.6
191.14268	1.5
196.12375	0.6
197.13324	3.3
201.12747	1.0
203.14319	0.6
205.12341	0.5
211.14752	0.5
213.05363	1.0
213.16371	1.3
215.14307	1.2
215.17876	0.6
229.19469	4.0
233.15317	1.5
239.17992	8.4
247.20561	3.3
249.18422	1.7
257.19006	9.8
265.17969	0.7
275.20047	45.5
276.20401	2.3
289.18063	3.2
289.21686	2.0
307.09659	1.3
307.22662	100.0
308.22949	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	307.2267
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
55.01865	3.8
55.05511	14.5
56.85936	1.4
57.03421	2.3
57.07069	4.4
60.33514	1.5
63.78645	1.3
67.05505	25.1
69.03416	1.9
69.07068	18.2
69.28039	1.3
69.74792	5.4
69.75215	4.6
70.03679	1.3
70.04049	1.7
71.04960	1.5
79.05488	19.2
81.07057	31.8
83.04971	5.4
83.08612	4.8
85.06529	2.3
88.15559	1.5
91.05480	17.8
93.07041	25.4
95.04980	10.1
95.08607	19.1
96.12278	1.4
97.06516	5.1
97.10173	4.3
105.07033	24.5
107.04955	7.4
107.08600	16.3
109.06535	13.1
109.10170	8.6
111.04520	1.6
116.44221	1.4
117.07014	7.4
119.08612	12.8
121.02863	2.7
121.06516	10.0
121.10135	10.5
122.19708	1.6
123.08091	4.8
123.11699	1.7
127.01061	1.4
129.07025	3.4
131.08566	13.2
133.06497	1.8
133.10135	17.9
135.08037	5.8
135.11691	5.4
137.06000	2.4
137.09628	3.9
143.08553	2.1
145.06494	2.8
145.10121	12.4
147.08073	3.5
147.11702	10.8
149.09631	5.9
149.13264	4.2
151.11220	8.8
157.10152	2.0
159.11682	7.2
161.09659	3.3
161.13292	2.6
163.11205	6.4
163.14743	1.5
169.10120	2.3
171.11716	2.4
173.09686	3.2
173.13272	6.4
175.11214	1.8
177.12750	2.8
187.14775	2.0
191.14333	3.2
199.14732	1.5
201.12825	3.0
207.13777	3.5
219.13869	4.3
229.19492	2.1
237.14731	2.6
239.17976	2.1
247.20598	3.5
257.19009	13.0
275.20050	100.0
276.20453	5.3
289.18463	2.0
289.21735	3.6
307.09424	2.0
307.22702	52.0
307.28198	3.4
308.23041	2.9
308.29523	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	307.2265
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03929	4.4
55.01859	4.5
55.05505	11.9
55.19729	1.7
57.07060	2.8
67.05174	1.8
67.05505	23.9
69.03423	2.4
69.07059	12.6
71.60567	2.4
79.05486	34.4
81.03406	5.3
81.07053	100.0
83.04979	3.1
83.08608	5.9
83.20712	1.8
85.06512	2.7
87.20623	1.5
91.05486	14.8
93.07040	17.9
95.04958	10.4
95.08599	15.0
97.06537	7.0
97.10159	2.5
99.08096	2.7
105.07027	17.4
107.04939	5.8
107.08586	12.6
109.06513	58.4
109.10147	6.1
111.08073	2.3
117.07000	3.2
119.08602	12.4
121.02907	2.0
121.06479	3.5
121.10147	8.5
123.08077	6.1
123.11686	3.3
125.09679	2.5
129.07068	2.1
131.08545	9.5
133.06506	2.0
133.10118	17.2
135.08014	3.2
135.11667	5.3
135.28528	1.7
137.05997	3.8
137.09604	3.8
138.06265	2.5
141.07018	1.9
143.08592	1.6
145.06506	2.2
145.10092	10.8
147.07974	1.9
147.11662	14.4
149.09621	5.9
149.13240	5.7
151.11150	2.8
155.08643	2.0
157.10077	3.1
159.11702	5.7
161.09550	1.9
161.13159	2.7
163.11185	6.2
163.14812	2.5
165.12721	4.4
171.11655	2.1
173.13251	3.6
175.11244	2.6
175.14799	3.6
177.12785	2.1
179.14204	1.7
183.11653	2.1
193.12291	4.4
201.57864	1.4
229.19510	3.3
239.17950	2.9
247.20633	4.5
257.19037	5.0
275.20056	59.0
276.20465	5.9
280.41382	1.5
289.18076	2.6
289.21326	3.0
307.19574	1.6
307.22742	25.0
307.28055	3.1
308.29285	1.7
312.04150	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	307.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33310	5.5
53.03935	7.1
55.01862	10.0
55.05517	30.3
57.03423	25.2
57.07081	7.0
59.04976	6.3
67.05503	44.5
69.03414	8.0
69.07076	32.0
70.04079	10.7
70.31965	14.7
70.32368	14.8
77.39923	6.5
79.05487	53.2
81.03411	8.7
81.07061	100.0
83.04966	30.7
83.08620	13.9
85.06525	8.1
91.05471	45.9
93.07051	68.2
95.04961	20.7
95.08585	39.8
97.06507	15.6
97.10150	12.2
98.98478	5.9
103.05439	7.8
105.07031	49.8
107.04989	10.2
107.08587	66.8
109.06505	41.1
109.10172	20.7
117.07027	18.2
119.08566	42.1
121.02860	8.6
121.06532	14.4
121.10136	21.4
123.08070	14.2
125.09638	11.2
129.06956	5.6
131.08578	30.3
131.62099	5.3
133.06462	7.2
133.10118	32.4
135.08073	9.3
135.11693	10.0
137.05981	40.0
137.09570	5.7
138.06293	34.1
143.08607	6.6
145.10106	25.4
147.11711	19.6
149.09639	13.7
149.13248	7.2
151.07648	5.8
151.11122	6.1
157.10130	15.9
159.08104	6.7
159.11694	21.4
161.13307	13.1
169.10283	8.0
173.13274	12.0
175.11104	7.6
183.11787	6.4
185.13300	22.8
194.11833	7.0
195.11955	8.9
201.04263	5.4
203.14319	16.4
219.17462	33.0
224.78918	5.9
235.16869	18.6
246.41411	7.5
250.18011	7.7
251.18272	14.2
257.19003	17.7
261.18512	7.0
271.16879	8.7
271.24124	6.4
275.20013	69.6
276.20520	8.2
289.17996	22.1
289.21548	23.9
307.09570	6.7
307.23056	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	307.2268
Annotation	Methyl haplodesertoate
Peak:m/z	Relative Intensity
53.03934	4.3
55.01863	13.9
55.05291	3.7
55.05517	33.2
57.03437	5.0
59.05006	3.4
59.13065	3.3
60.27152	3.2
65.03937	4.3
67.05512	59.9
69.03426	4.6
69.07069	34.4
70.80946	9.1
71.04987	24.9
79.05493	51.1
81.03418	5.6
81.07058	63.8
83.04977	4.0
83.08619	18.7
85.06545	7.2
86.70104	2.9
91.05484	42.4
93.07059	44.8
95.05003	17.8
95.08596	37.7
97.06535	30.8
97.10161	17.7
98.06034	6.8
99.06414	4.4
99.08080	6.0
105.07040	46.7
107.04961	12.8
107.08601	68.9
109.06518	26.3
109.10143	24.5
111.04441	61.6
111.08076	6.2
117.07030	15.4
119.08569	40.1
121.06515	9.7
121.10166	24.2
123.04575	3.6
123.08084	13.4
123.11701	7.9
125.06028	4.5
125.09650	20.5
131.08571	17.6
133.06496	5.3
133.10130	35.4
135.08070	10.8
135.11720	12.3
137.05992	12.3
137.09645	14.2
138.06316	9.7
141.07054	3.8
143.08615	4.6
145.10139	19.7
147.08003	6.2
147.11693	14.4
149.09624	18.7
149.13243	5.1
151.11209	6.7
153.09081	5.9
156.25571	3.5
157.10130	5.3
159.08093	4.0
159.11697	11.1
161.09633	6.5
161.13240	8.7
163.11185	9.8
165.09187	5.3
165.12755	6.5
171.11659	7.8
173.09737	3.2
173.13271	11.5
175.11180	4.8
203.12825	13.4
229.19365	4.2
239.17996	6.5
247.20551	7.7
252.19453	4.2
257.19025	10.1
268.23758	3.4
275.20068	88.9
289.18015	10.1
289.21719	13.8
307.22769	100.0
307.28201	85.6
308.23328	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	307.2054
Annotation	Callyspongenol B
Peak:m/z	Relative Intensity
53.03950	5.4
55.01879	3.4
55.05512	12.7
56.96563	3.1
57.03427	7.2
57.07069	4.0
59.05013	3.0
67.05503	21.0
69.03433	2.7
69.07059	11.7
71.05003	2.6
71.51441	2.4
71.59422	5.3
79.05490	21.9
80.26353	2.5
81.03436	3.3
81.07050	32.0
83.04971	3.4
83.08630	5.0
91.05465	31.5
93.07035	25.0
95.04967	32.9
95.08597	15.4
97.06548	18.3
105.06384	4.4
105.07040	52.8
107.04946	5.1
107.08603	13.6
109.06525	11.4
109.10164	6.9
111.08093	2.9
115.05491	7.4
117.07019	17.7
119.08585	54.8
121.02881	5.4
121.06533	6.8
121.10119	13.4
123.08096	3.4
123.11687	2.6
125.09631	4.4
128.06216	12.9
129.07027	16.8
130.07820	6.8
131.08557	21.7
133.10129	68.9
133.11089	4.4
135.08087	8.6
137.09583	3.7
141.06992	13.7
142.07785	17.1
143.08571	40.4
144.09366	6.4
145.06487	6.1
145.10130	32.1
147.08067	10.6
147.11671	12.6
149.09621	3.4
150.81943	2.3
151.07532	3.9
154.07816	5.4
155.08594	13.0
156.09337	13.3
157.10141	28.7
158.10904	8.0
159.08044	11.8
159.11705	25.0
161.09642	9.3
163.11203	2.7
165.07002	5.9
167.08574	20.2
168.09380	5.8
169.10138	33.5
170.10948	5.9
171.11699	18.5
173.09668	6.0
173.13266	18.9
175.11308	2.5
178.07785	3.3
179.08582	7.1
180.09309	4.2
181.10130	16.2
182.10905	28.0
183.11702	18.6
184.12463	7.0
185.09636	3.3
185.13269	5.6
187.11209	6.9
192.09390	8.1
193.10178	14.9
194.10948	10.0
195.11752	16.2
196.12560	6.9
197.13277	32.2
198.14069	4.5
199.14809	7.1
204.09393	2.6
205.10222	6.3
205.12155	2.9
206.10881	15.2
207.11647	16.9
208.12549	10.7
209.13309	24.6
211.14812	14.5
216.90343	2.7
217.10115	6.2
218.10973	7.0
219.11612	11.9
220.12485	10.8
221.13258	29.7
222.14070	5.9
223.14813	15.3
230.10962	3.8
231.11780	4.6
232.12492	6.1
233.13272	15.9
234.14105	9.5
235.14894	11.7
237.12741	2.7
237.16495	8.5
244.12466	4.5
245.13309	5.6
246.14078	5.3
247.14932	6.4
248.15726	6.8
249.16476	8.3
251.14304	7.0
251.18051	6.7
259.14822	11.5
260.15698	3.7
261.16479	5.1
263.18024	23.7
265.19720	4.1
267.09079	3.0
271.16922	5.1
274.17212	10.3
279.21188	4.0
285.10165	6.5
289.19446	16.5
292.18292	4.5
307.09888	3.1
307.20596	100.0
308.20770	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	307.1904
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03946	4.6
55.01868	13.0
55.05510	31.5
57.03437	82.2
65.03929	3.2
67.05508	51.0
69.03399	2.4
69.07054	11.6
71.04997	4.5
76.51276	2.4
79.05496	37.9
81.03407	5.5
81.07054	37.1
83.04984	64.8
83.08611	8.2
85.06532	8.0
91.05476	49.2
93.03400	3.2
93.07037	37.6
95.04958	14.8
95.08614	26.4
97.06515	9.1
97.10146	2.9
99.04442	7.1
105.07037	34.9
107.04958	80.4
107.08582	26.1
108.05743	4.3
109.06522	28.5
109.10139	9.6
111.04447	45.5
111.08099	5.9
113.06001	3.6
115.05424	3.3
117.07017	17.4
119.08564	25.2
121.06514	12.4
121.10130	14.8
123.08044	7.5
125.05996	10.0
125.09610	3.8
128.06229	3.6
129.06993	11.0
131.08559	19.3
133.06496	11.1
133.10175	13.7
135.08051	20.3
135.11653	8.9
137.05989	28.9
137.09627	7.1
138.06319	19.1
141.06927	4.2
143.08569	6.0
145.06499	8.6
145.10129	16.7
147.08054	14.7
147.11678	6.2
149.05995	10.9
149.09599	5.0
151.07530	4.4
153.09102	2.7
155.08537	7.8
157.10175	8.9
159.08054	12.4
159.11722	11.5
161.09616	9.6
161.13281	3.7
163.07593	8.2
163.11182	11.4
166.21764	2.7
167.18884	2.6
169.10130	5.4
171.11742	10.8
173.09596	9.5
173.13194	5.8
175.11116	5.5
177.09106	7.6
177.12762	24.6
178.13429	5.5
179.14323	2.9
183.11737	4.7
187.11121	4.3
187.14867	7.7
189.09146	5.2
189.12704	5.3
197.13321	3.7
199.11197	3.7
201.09138	3.4
205.15881	14.9
215.14305	9.7
217.12270	5.9
225.12790	2.9
225.16348	6.3
229.35260	2.7
233.15341	47.0
243.17497	13.4
253.15944	10.0
257.19049	3.6
261.18506	38.7
271.16901	33.9
275.19986	12.7
289.17990	100.0
289.21243	4.7
290.18253	3.0
307.19098	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	307.1904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	6.1
55.01873	16.3
55.05266	2.4
55.05513	34.3
57.03421	4.3
59.04970	2.3
63.52402	1.7
64.77066	1.7
65.03921	3.4
67.05503	30.4
67.05841	3.6
69.03416	4.8
69.07049	9.1
70.13787	10.5
71.04987	3.4
73.75169	1.7
79.05490	54.4
81.03406	6.7
81.07059	93.2
83.01285	2.0
83.04964	5.9
83.08611	10.3
85.63715	1.9
86.80555	1.8
91.05481	38.3
93.03376	2.7
93.07055	30.2
95.04955	13.0
95.08603	16.6
97.02890	6.4
97.06543	2.8
97.10169	12.8
98.21422	2.7
101.50899	2.2
105.07027	29.1
107.04958	32.4
107.08593	29.1
109.02872	18.3
109.06522	42.1
109.10133	6.3
111.04472	4.3
111.08095	5.1
115.05447	4.2
117.07034	16.7
119.04931	3.8
119.08589	25.7
121.02869	5.5
121.06530	9.0
121.10098	3.0
123.04419	4.7
123.08063	6.2
123.11718	2.7
125.09641	8.2
128.06204	3.9
129.06987	6.4
131.08604	10.7
133.06487	6.2
133.10115	18.6
135.08061	35.7
137.06046	9.1
137.09631	9.0
138.06293	5.4
138.50348	1.9
141.06934	3.9
143.08559	7.9
145.06493	8.3
145.10124	10.6
147.08032	6.3
147.11687	5.8
149.09572	5.6
151.11169	5.8
153.09093	5.6
154.68465	2.1
155.08568	2.8
157.06445	2.6
157.10141	6.4
159.08067	11.6
159.11691	4.0
161.09583	16.7
161.13255	4.8
163.07550	19.0
163.11136	3.1
165.09154	6.9
169.10182	4.9
171.08075	4.5
171.11726	4.4
173.09647	5.9
173.13179	2.1
177.09129	3.0
177.12811	2.4
179.10655	22.7
183.11681	3.5
187.11174	4.0
189.09140	6.7
189.11165	3.9
189.12743	2.6
191.10590	5.4
207.10187	4.8
211.14996	2.1
215.18028	4.3
225.11259	5.2
225.16402	5.3
243.17471	26.6
253.15872	3.0
261.18518	22.5
271.16965	16.0
275.19989	3.0
289.17969	100.0
290.18405	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	307.1902
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
51.39909	4.0
55.01864	6.9
55.05512	33.3
56.96564	14.1
57.03427	18.7
57.07073	7.0
59.04995	13.5
67.05494	36.3
69.07066	18.5
69.48895	14.1
69.49325	22.3
71.04961	5.1
78.81177	4.3
79.05498	50.7
81.07053	100.0
83.04958	5.7
83.08606	20.1
83.35986	4.0
85.06564	4.4
91.05473	32.5
93.07071	22.9
95.04967	18.1
95.08585	37.4
97.06542	8.6
97.10172	24.1
98.98442	4.7
105.07018	25.2
105.07622	4.2
107.04943	12.2
107.08563	28.2
109.06533	15.2
109.10148	29.0
117.07000	10.7
119.08571	21.6
121.02860	8.5
121.06479	7.7
121.10147	12.9
123.08060	6.4
123.11684	7.5
125.09641	23.6
129.06973	6.4
131.08591	23.3
133.10091	11.8
135.08040	10.5
135.11668	7.8
137.05986	15.2
137.09636	11.5
138.06276	9.9
139.11197	5.8
141.07076	4.3
143.08591	6.9
145.06487	5.5
145.10158	13.3
147.08069	6.5
147.11761	5.1
149.09615	6.9
153.09169	5.4
155.00964	4.5
155.08438	5.4
159.08083	7.6
159.11716	9.6
163.07573	6.5
163.11171	7.3
169.10152	5.0
173.13232	8.6
175.11113	6.0
187.11104	6.1
187.14767	10.0
189.11201	21.0
189.12830	5.4
193.12219	5.3
197.13234	5.4
207.17435	12.2
213.05403	4.6
215.14345	17.9
229.07526	5.6
233.15352	20.9
243.17445	7.4
261.03162	5.6
261.18497	9.3
267.09036	8.1
271.16895	24.2
285.10181	12.9
289.17953	83.2
289.25372	12.8
290.11053	4.5
307.09528	6.2
307.12772	4.5
307.19159	18.7
307.26361	10.5
308.12119	4.7
310.75745	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	307.1903
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
53.03944	4.8
55.01857	8.4
55.05270	2.6
55.05510	40.8
57.03434	33.7
59.04984	2.0
67.05499	31.1
69.03423	4.5
69.07064	9.5
70.78236	4.4
70.78609	3.7
71.04988	2.4
72.79581	1.8
79.05489	36.5
81.03401	6.6
81.07050	21.3
83.04966	5.0
83.08624	16.3
85.06512	2.0
91.05462	27.3
93.07039	17.8
95.04974	12.5
95.08595	7.7
97.06511	4.8
97.10174	30.9
105.07021	18.5
107.04961	20.1
107.08596	22.5
109.06506	7.4
109.10169	10.2
111.08089	3.7
115.05441	2.4
117.07024	13.0
119.08579	20.7
121.06499	9.1
121.10136	6.0
123.08022	3.6
125.09616	26.8
128.06227	2.3
129.06993	4.6
131.08569	10.4
133.06468	3.8
133.10112	7.3
135.08040	19.5
137.06007	2.3
137.09613	6.6
141.06990	3.1
142.07756	3.0
143.08559	5.1
145.06467	7.0
145.10123	8.1
147.08023	7.4
147.11673	3.2
153.09100	6.7
155.08534	4.1
157.10104	5.7
159.08054	54.1
159.11694	5.4
160.08781	2.7
161.09618	4.4
162.01952	2.2
163.07570	5.5
169.10118	5.8
170.10234	2.4
171.10225	2.1
171.11710	5.1
173.09666	5.2
173.13255	2.6
175.11183	2.9
177.09111	4.7
177.12920	2.0
183.11684	3.2
185.09602	3.4
185.13185	2.4
187.14786	4.9
189.11217	15.0
197.13257	5.1
199.11206	3.4
199.14809	2.2
215.14319	10.3
223.14886	2.5
225.16325	2.5
233.15361	22.9
243.17497	3.9
253.15849	8.3
261.18423	2.6
271.16913	37.0
279.20972	3.3
289.17966	100.0
290.18320	2.2
307.09753	2.4
307.20700	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	307.1903
Annotation	Corrin
Peak:m/z	Relative Intensity
50.61601	2.1
52.77251	2.2
53.03944	7.0
53.35513	2.1
55.01872	11.6
55.02098	2.5
55.05509	33.1
56.82398	2.2
57.03434	15.0
57.07080	3.2
65.03949	3.3
65.44635	2.2
67.05502	35.1
69.03407	4.2
69.07072	20.1
69.89063	6.4
69.89492	8.1
71.04980	6.2
79.05495	39.3
81.03400	7.8
81.07052	48.6
83.04962	9.3
83.08633	12.9
85.06524	4.3
91.05472	46.1
92.81803	2.4
93.07043	48.2
95.04969	48.2
95.08603	23.8
97.06528	25.1
97.10161	20.4
103.05441	5.6
105.04552	2.4
105.07030	70.9
107.04947	9.1
107.08584	32.0
109.06509	13.8
109.10141	10.6
111.08086	7.1
115.05457	6.4
117.06998	25.5
119.08578	70.6
121.02865	3.6
121.06487	12.1
121.10137	16.7
123.04409	3.3
123.08086	6.1
125.09633	19.9
128.06223	17.9
129.07004	18.9
130.07756	6.2
131.08566	38.5
133.06497	7.1
133.10126	73.1
133.11087	4.9
135.08073	15.2
135.11662	3.5
137.05965	5.2
141.06944	14.3
142.07785	21.6
143.07480	4.2
143.08557	54.9
143.09677	2.9
144.09357	12.3
144.79587	2.2
145.06497	12.0
145.10120	38.3
146.32259	2.2
147.08044	16.0
147.11673	9.5
149.09596	9.7
151.07576	3.9
151.11189	3.9
153.06989	5.8
154.07735	7.3
155.08549	14.4
156.09320	16.6
157.10141	31.1
158.10907	12.3
159.08035	14.1
159.11682	28.8
161.09610	12.4
163.07497	6.5
165.07001	8.2
166.07773	4.4
167.08562	23.2
168.09344	6.1
169.10106	34.4
170.10794	6.7
171.11650	21.3
172.08781	3.6
173.09596	5.7
173.13246	18.7
175.11264	3.3
177.09058	4.3
177.12756	2.5
179.08554	8.8
180.09258	6.9
181.10132	16.2
182.10954	26.9
183.11629	18.3
184.12503	6.7
185.09564	3.8
185.13278	6.9
187.11197	8.4
187.14738	2.6
189.11212	10.5
192.09358	7.4
193.10133	17.7
193.11906	3.4
194.10936	13.4
195.10063	3.6
195.11635	16.4
196.12468	9.9
197.13246	38.2
199.11275	2.5
199.14799	6.5
203.08514	2.2
205.10127	5.7
206.10880	11.1
207.11697	19.8
208.12454	10.5
209.13278	21.8
210.13998	4.5
211.11075	2.7
211.14786	15.1
215.14299	3.6
217.10130	8.0
218.10854	3.3
219.11699	9.0
220.12485	7.6
221.13251	25.7
222.14005	6.2
223.11275	3.0
223.14847	18.3
224.15536	4.5
225.16309	5.5
229.10126	4.0
231.11623	6.1
232.12494	3.9
233.13239	15.0
233.15282	4.1
234.14056	10.8
235.14751	10.1
236.15436	2.8
237.16324	10.5
239.17799	3.4
243.17310	2.8
244.12502	5.3
245.13141	4.4
246.14056	4.9
247.14853	9.0
248.15685	7.3
249.16339	8.6
251.14282	7.1
251.18002	3.9
253.15927	3.2
254.32332	2.5
259.14835	13.0
260.15604	5.3
261.16083	2.8
261.18484	6.9
263.17978	21.5
265.15787	4.2
271.16974	16.3
274.17130	10.3
279.17801	2.5
279.21048	10.0
289.17654	37.8
292.18250	2.6
307.20709	100.0
308.20825	4.1
309.11371	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	307.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10887	0.3
55.01870	0.4
55.05521	0.5
56.05046	2.3
58.06598	3.5
61.01144	0.4
68.05021	0.5
69.03440	0.8
69.07068	0.8
69.48390	1.7
69.48801	1.1
70.04084	0.5
70.06583	1.1
72.08169	0.4
79.05486	0.4
81.03419	0.5
81.07056	0.9
83.04983	0.5
84.04508	23.4
84.08145	100.0
85.02888	0.8
85.04862	0.4
85.08473	1.3
86.06071	7.3
86.09710	6.7
88.04018	2.0
96.04479	0.4
96.08168	0.4
98.09684	0.5
98.97587	0.4
98.98441	0.8
99.09195	0.4
102.09159	0.4
105.06992	0.4
111.00600	0.4
111.04469	0.6
112.11275	0.3
114.12794	0.7
116.98647	0.4
124.07575	0.4
129.05545	0.4
130.08656	1.3
131.08813	0.3
140.03444	0.8
141.13867	6.9
144.10146	0.9
146.06035	1.1
169.13371	9.6
183.16327	0.4
187.07829	0.4
188.11226	0.4
198.11273	1.6
215.13913	41.3
216.14246	1.4
243.17052	56.0
244.17412	1.5
262.11090	3.3
289.11874	0.9
307.12930	1.3
307.16852	27.8
308.17200	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.3
69.07065	0.4
71.03716	0.6
72.30549	0.3
79.05497	0.4
81.07040	0.4
91.05488	0.5
98.06077	0.7
105.07024	0.4
106.06523	0.3
107.08559	0.6
108.04461	0.8
114.07701	0.3
115.60941	0.3
121.02849	0.3
122.06039	1.7
123.04419	0.6
123.89619	0.3
124.07565	0.6
131.08542	0.4
135.08069	1.5
136.07579	1.0
140.07053	1.2
148.07498	0.4
150.05533	0.5
156.66992	0.3
158.09703	0.4
159.08018	0.4
159.09201	0.6
160.07550	1.5
162.09113	0.4
163.08640	1.4
164.07059	0.4
168.06526	1.7
169.47151	0.3
173.07076	0.4
174.09169	1.6
175.08710	0.3
176.06998	0.3
177.10239	1.2
178.07028	0.6
178.08620	11.4
180.09529	0.3
182.08145	0.8
184.07587	1.3
187.08688	1.4
188.07063	3.4
188.08722	0.4
188.09286	0.4
190.08636	0.4
196.09732	0.5
198.09134	1.4
200.10780	0.5
201.06403	0.6
201.10275	2.4
202.06856	0.5
202.08653	4.7
204.10284	0.6
205.09724	3.5
206.08173	2.3
212.07077	0.5
216.10255	2.5
217.09892	0.5
219.07727	0.9
219.11263	4.2
220.09706	1.6
226.08611	2.0
229.09790	3.6
230.08083	3.0
234.10027	0.4
237.12433	0.3
243.11299	1.2
244.09718	3.7
247.10800	10.7
248.09142	1.0
254.08093	0.4
261.12357	1.3
262.10764	1.5
265.11832	11.6
266.12061	0.3
271.10736	1.8
272.09134	1.4
280.01550	0.4
289.11844	12.7
290.10162	0.5
307.12872	100.0
308.06564	0.4
308.13239	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	307.1287
Annotation	Brachystemidine B
Peak:m/z	Relative Intensity
50.94506	0.5
55.01863	0.9
70.70684	0.5
71.05128	0.9
71.05452	0.5
73.02897	0.7
79.05518	1.0
85.22572	0.5
91.05489	0.6
93.07030	0.8
94.06571	0.6
98.06091	0.8
107.08559	0.9
108.04494	1.1
122.06013	1.6
124.07587	0.8
135.08063	1.8
136.07570	0.8
140.07054	1.8
143.07477	0.5
150.09186	0.9
160.07574	1.2
162.09106	0.6
163.08635	1.3
168.06543	1.4
170.09599	0.7
174.09149	1.3
177.10251	0.9
178.08615	12.9
178.10094	0.9
182.08064	0.9
184.07614	1.2
187.08810	0.8
188.07045	3.8
189.01775	1.0
191.11911	0.7
198.09122	2.4
201.10326	2.8
202.08633	4.3
204.10269	0.7
205.09795	3.3
206.08159	2.4
212.07141	0.8
216.10219	2.3
219.07777	1.0
219.11336	4.5
220.09676	1.1
226.08618	2.0
229.09743	4.8
230.08089	3.8
243.11331	1.7
244.09680	4.5
247.10773	11.1
248.09105	0.9
254.08310	0.6
261.12311	1.3
262.10828	1.2
265.11804	12.0
271.10709	1.9
272.09177	1.7
289.11850	15.1
289.15164	0.7
303.93362	0.6
307.06299	3.2
307.12881	100.0
308.06552	0.7
308.13190	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	307.079
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77588	2.4
54.91144	2.4
56.96556	11.0
57.03440	4.0
71.02606	7.3
85.02884	6.7
94.93027	3.9
97.91795	2.9
98.97581	8.2
101.00885	7.1
112.89621	3.4
115.02417	2.7
116.98595	5.9
119.01939	34.3
128.98575	4.8
131.01904	8.9
133.03476	9.4
134.99683	3.6
136.47346	2.6
137.02946	12.7
143.01913	6.1
145.03496	7.5
146.47789	2.7
146.99608	4.4
147.05089	3.1
155.01869	5.9
157.03452	4.3
158.99779	2.9
161.02959	19.5
168.99678	3.8
173.02946	13.0
174.99036	3.6
175.04578	5.8
177.00729	3.5
177.02379	5.1
187.00827	5.5
187.04660	3.4
189.00769	5.2
193.00307	5.0
202.89099	10.1
205.01965	8.9
205.05530	5.3
215.00424	13.2
217.05615	5.1
219.01585	3.1
219.03548	4.9
221.05081	7.8
232.90088	10.5
237.02873	3.2
247.01244	2.4
247.03059	23.5
247.06650	7.6
265.07657	11.1
307.04507	4.3
307.07660	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	307.0791
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.1
56.96561	53.7
57.03421	9.1
58.23029	2.3
61.02916	10.2
69.03432	19.0
70.03080	9.0
70.06567	4.2
70.98096	6.5
71.04992	4.3
72.90176	2.7
73.02908	10.7
74.54487	2.5
75.20669	2.9
78.35418	3.0
81.03404	7.7
83.04989	2.9
84.08136	3.6
84.96034	8.7
85.02908	35.2
86.09702	5.2
87.04443	3.9
88.99145	4.9
97.02364	2.9
97.02884	14.3
98.20782	3.1
98.97585	69.2
99.04444	7.0
100.97146	2.7
100.99090	3.8
101.00859	5.8
109.02888	4.8
110.97552	13.7
116.98620	38.3
119.00125	4.8
119.01921	29.5
124.95452	3.2
127.03914	9.0
128.98611	19.3
130.08640	7.5
131.00185	8.2
131.01874	6.2
133.03433	12.3
134.99677	14.1
136.95093	2.4
137.02963	5.3
138.82722	2.4
140.98500	2.7
143.00175	4.2
143.01897	5.9
145.01752	4.3
145.03484	9.2
145.04938	6.8
146.07756	2.7
146.99606	20.2
149.01224	4.3
149.02914	5.8
151.06281	4.1
155.01877	5.6
157.03421	5.4
158.99644	10.8
159.11290	3.6
161.01239	9.4
161.02957	12.4
163.02782	16.0
163.04530	3.8
165.00754	8.8
168.03604	8.4
169.04376	14.2
170.05113	4.9
170.96056	4.0
170.99667	6.0
172.97580	3.1
173.01349	5.2
173.02960	9.3
175.02899	6.3
175.04478	10.1
177.00696	11.7
177.02167	4.7
177.04112	14.1
178.04919	4.3
181.03807	10.7
187.00859	7.4
187.02771	3.9
187.04506	3.5
188.97057	13.8
189.00706	8.9
190.98624	16.3
191.02274	5.8
191.43073	3.3
193.00208	3.8
193.03836	4.3
196.54683	4.3
197.55417	3.2
199.04451	3.0
202.98549	4.0
203.03964	5.0
205.00206	4.6
205.03899	6.0
205.05634	5.2
206.98088	11.6
207.01682	3.1
208.99695	6.3
214.06000	4.3
215.00311	3.3
217.00081	3.6
219.01714	16.3
220.99744	5.6
221.05075	8.9
223.01225	3.8
225.56801	4.4
226.05910	5.4
227.06830	12.1
230.98106	4.7
232.99646	7.0
235.01205	3.4
237.02814	31.3
240.05717	4.6
241.06599	6.7
247.02995	8.1
247.06645	10.2
248.99118	4.6
249.06314	7.5
251.00758	18.0
255.03909	4.3
263.00748	11.2
265.05884	13.4
265.07953	11.0
269.01740	3.8
283.07056	5.7
298.08188	3.2
299.08817	7.9
307.07794	100.0
307.60272	3.0
308.09567	19.7
313.11215	3.6
325.08099	17.7
328.31482	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	306.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
67.66301	0.4
69.07039	0.7
70.23001	0.9
79.05482	0.5
81.07047	0.7
94.04179	1.4
109.10129	0.6
114.09164	0.5
122.03654	4.6
133.10121	0.7
135.11659	0.8
137.05972	100.0
138.06325	1.6
151.11160	0.4
153.12708	1.4
170.15399	2.2
182.15398	3.5
184.63689	0.4
306.20602	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	306.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.2
55.01878	1.0
55.05513	6.5
56.05019	0.2
57.03407	0.3
57.07061	0.6
65.03936	0.4
67.05505	8.2
69.07070	7.3
70.86996	0.5
71.08643	0.3
72.04507	0.4
78.43017	0.2
79.05487	2.2
81.03429	0.2
81.07059	7.5
82.06570	0.3
83.04971	0.3
83.08619	2.4
84.04465	0.2
85.05287	2.2
85.06529	0.2
86.06049	0.7
88.73996	0.2
91.05478	1.2
93.07049	1.8
95.04963	0.2
95.08612	4.7
95.09233	0.2
96.08136	0.2
97.06544	0.8
97.10172	1.1
98.06055	13.1
99.06857	0.3
100.07611	0.1
105.07037	1.4
107.04963	0.2
107.08592	2.3
109.06525	0.5
109.10136	1.9
110.09682	0.3
112.07600	2.0
117.07023	0.2
119.08575	0.8
120.08119	0.2
121.10168	1.0
123.08048	0.2
123.11714	0.4
124.07578	0.2
124.11227	0.3
125.08353	0.3
125.09620	0.3
126.09136	0.5
131.08589	0.3
133.10100	0.8
135.11673	0.4
136.11113	0.2
137.05971	2.3
138.09096	0.4
140.10713	0.6
145.10083	0.3
147.11714	0.4
149.09627	0.3
149.13228	0.3
152.10670	0.3
154.12302	0.8
157.22543	0.1
159.11682	0.3
161.13196	0.2
166.12315	0.3
168.13853	0.5
173.13193	0.2
180.13832	0.3
182.15384	0.6
194.15306	0.4
196.16940	0.6
203.12920	0.2
208.16942	0.8
210.18573	0.3
222.18529	0.5
236.20107	0.5
250.21700	0.2
257.18875	0.2
275.20071	1.5
289.17868	0.2
289.21576	0.2
306.27908	100.0
307.22873	0.8
307.28217	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
51.83244	2.1
53.03945	3.5
55.01842	2.2
55.05308	2.2
55.05511	22.6
56.96333	2.2
56.96562	25.7
57.03425	2.9
57.07052	9.5
59.04978	3.0
67.05499	38.4
69.03421	6.2
69.06731	3.7
69.07066	54.8
69.52565	2.1
71.01343	2.1
71.04971	9.3
71.08633	3.0
71.95328	2.0
79.05487	33.7
81.07054	100.0
83.04955	10.2
83.08620	16.4
84.96033	3.9
85.06519	6.5
91.05482	22.9
93.07043	96.0
95.04968	23.0
95.08605	77.0
97.06522	10.3
97.10152	6.0
98.97576	24.9
99.08089	3.1
105.07021	41.0
107.08593	77.7
108.08880	2.3
109.06532	10.5
109.10157	60.9
110.97578	11.6
111.08052	4.0
111.11730	6.4
112.99132	13.7
116.98620	19.0
117.07002	4.5
119.08582	34.6
121.06505	4.1
121.10143	70.7
123.08075	6.1
123.11720	26.1
124.99082	4.2
125.05954	2.6
125.09597	4.8
128.98601	22.0
131.00169	33.6
131.08536	8.5
133.06422	2.7
133.10120	24.2
134.99625	6.8
135.11684	49.2
137.09590	8.1
137.13232	10.7
139.11163	9.9
140.00113	2.2
143.00185	15.6
143.08554	4.0
145.01750	2.8
145.10133	12.3
146.99641	16.3
147.11685	22.6
149.01204	29.8
149.09550	5.8
149.13249	34.3
151.11154	5.4
151.82947	2.3
154.01822	3.6
155.10674	2.3
157.10146	7.1
158.99666	2.9
159.11729	14.7
161.01222	21.5
161.13287	13.3
163.02771	3.1
163.11186	9.7
163.14806	6.3
165.00780	2.5
165.12740	9.4
167.02296	4.6
167.10709	10.3
170.99646	3.5
171.11633	5.3
173.01158	5.3
173.13274	5.9
175.14853	5.8
177.00752	4.2
177.12756	5.1
177.16374	5.8
179.02293	4.6
181.12195	3.4
185.01198	18.1
185.13371	3.0
187.02872	5.4
187.14787	4.8
189.00703	7.8
189.16371	6.4
191.02237	5.6
193.15956	2.7
195.13745	3.9
199.14803	4.6
201.16367	4.5
203.02267	48.6
203.17929	5.8
207.17528	3.0
213.16406	5.7
215.18024	2.7
221.03304	14.0
223.16714	2.3
226.03868	6.7
227.02298	3.7
245.03400	11.6
261.21741	2.3
263.04507	4.3
269.22623	9.8
287.23663	24.6
305.24719	86.1
306.25055	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	305.2476
Annotation	8Z,11Z,14Z,17Z-eicosatetraenoic acid
Peak:m/z	Relative Intensity
53.03935	3.1
55.01870	1.7
55.05511	24.4
55.95389	0.9
57.03439	7.3
57.07082	9.6
58.09509	1.1
58.94081	0.8
59.04984	3.7
65.03916	1.7
67.05505	33.2
69.03426	6.5
69.07070	64.6
70.06574	1.4
70.14684	4.9
71.04999	12.1
71.08627	2.3
79.05064	2.0
79.05495	30.6
81.03416	2.3
81.07059	93.4
82.07407	1.3
83.04987	7.2
83.08624	17.4
85.06555	5.5
91.04901	1.2
91.05478	25.1
93.07047	100.0
94.07345	1.6
95.04973	38.2
95.08608	92.5
96.08942	1.7
97.06519	9.0
97.10176	7.3
98.97585	1.4
99.08067	5.1
105.04509	1.6
105.07031	38.4
107.04961	1.7
107.08601	57.0
109.06532	10.5
109.10156	45.2
110.10471	1.3
111.08081	6.1
111.11720	8.6
113.42492	1.0
117.07037	3.2
119.08588	30.2
121.06502	3.4
121.10143	69.3
122.10456	1.8
123.08057	8.3
123.11709	32.2
124.11992	1.2
125.06023	1.2
125.09640	4.3
125.13277	1.5
127.07526	1.0
127.11205	1.7
129.07001	2.2
130.07736	1.4
131.08577	10.2
133.10132	23.9
135.08052	3.7
135.11697	25.2
137.09618	8.1
137.13246	11.3
139.07507	1.3
139.11165	15.8
142.07816	1.1
143.08577	2.9
143.10664	1.4
145.10104	13.9
147.11705	18.8
149.09633	8.3
149.13254	17.3
151.11168	9.1
153.12766	4.3
157.10110	7.2
159.11699	12.3
161.09697	2.1
161.13251	8.4
163.11165	6.4
163.14822	5.6
165.03020	1.2
165.12773	8.6
166.64259	1.0
167.10678	31.0
169.12276	1.1
171.11694	4.5
172.12119	1.1
173.13278	7.5
175.11237	2.5
175.14867	5.4
177.12755	3.5
177.16412	5.7
179.10657	2.3
179.14267	1.7
181.12253	4.5
185.13300	3.2
187.14856	4.6
189.16406	5.8
191.14362	2.0
193.15880	5.8
195.13814	2.0
195.17371	1.0
199.14798	4.1
200.20081	2.1
201.16374	4.1
203.14288	1.2
203.17957	6.8
205.15872	3.1
207.17554	2.0
213.16368	5.0
215.17833	2.4
217.19537	1.9
219.17415	1.7
223.16808	1.4
227.17982	1.4
229.19539	3.1
231.17451	2.0
233.18944	1.2
243.21083	2.7
244.22665	3.4
245.22513	1.2
247.20586	1.3
249.18810	1.4
259.24216	4.4
261.22272	2.4
269.22623	13.0
287.16647	1.3
287.20557	1.0
287.23703	27.4
288.24063	2.0
305.24750	95.3
306.12225	1.2
306.26419	9.4
308.64761	1.1
316.98352	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	305.2475
Annotation	13-Oxogeranyllinalol
Peak:m/z	Relative Intensity
53.03938	3.1
55.01855	2.0
55.05271	1.4
55.05515	17.3
57.03421	3.4
57.07069	6.6
59.04980	2.0
61.13903	1.0
65.03941	1.8
67.05503	31.2
69.03434	5.4
69.07068	30.1
69.28614	5.2
69.29039	6.9
71.04990	7.3
73.06541	1.3
79.05495	19.1
81.03400	1.1
81.07056	82.3
82.07385	1.8
83.04982	3.7
83.08617	9.6
85.06544	7.6
88.72632	1.1
91.05480	15.2
93.07043	56.7
95.04971	33.8
95.08607	48.5
95.09063	0.7
95.09240	1.4
96.05290	1.4
97.06541	5.6
97.10175	5.6
98.97585	1.8
99.08113	2.8
103.05498	1.3
105.07028	28.4
107.08591	42.7
109.06510	13.3
109.10156	39.6
111.08093	8.1
111.11694	1.7
117.07017	3.2
119.08585	22.6
121.06497	1.4
121.10146	37.0
122.05997	2.8
123.08087	5.3
123.11710	32.0
125.09614	4.6
127.07590	1.3
129.07004	1.8
131.08606	5.8
133.10121	14.8
135.08055	2.2
135.11691	22.6
136.07584	1.7
137.09639	5.7
137.13277	5.9
139.11188	8.1
142.07779	1.8
143.08582	1.5
145.10118	7.3
147.08069	1.4
147.11694	19.1
149.09605	4.3
149.13257	12.4
150.05460	1.6
151.11174	6.0
152.07065	1.2
152.11525	1.2
153.12730	3.2
157.10109	4.1
159.11697	10.9
161.13222	8.3
163.11212	2.7
163.14818	4.9
165.12723	8.3
167.10690	4.5
167.14285	1.5
171.11729	1.5
173.13245	6.2
174.13182	1.1
175.11168	1.8
175.14787	5.6
177.12759	3.5
177.16318	2.7
179.10660	1.2
179.14330	3.1
181.12227	2.9
185.13292	2.2
187.14841	4.3
189.16435	3.5
190.02000	1.4
191.14348	2.1
193.15842	1.8
199.14870	2.3
201.16368	4.1
202.03261	1.9
203.18033	2.2
205.15837	1.4
206.02783	1.3
213.16402	4.3
219.17455	1.5
227.18022	1.5
247.20561	1.2
259.11234	1.0
259.24106	1.6
269.22687	8.3
275.23810	1.3
287.13525	1.2
287.23669	20.7
288.24124	1.8
305.14655	2.2
305.24744	100.0
306.25256	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	305.2109
Annotation	monacolin L lactone
Peak:m/z	Relative Intensity
55.05509	32.3
56.96542	5.7
57.03432	9.9
57.07056	13.1
57.07550	3.5
58.33946	3.5
59.04980	4.5
67.05503	39.7
69.03413	7.9
69.07066	33.2
71.04961	5.7
71.08640	4.2
79.05478	26.4
81.07050	70.6
83.04973	31.1
83.08619	12.4
85.06509	9.9
91.05485	34.6
93.06473	6.2
93.07037	93.5
95.04956	21.6
95.08605	98.9
97.06546	18.3
97.10148	7.6
101.06008	5.3
105.07021	59.6
107.04942	4.4
107.08595	77.3
109.06511	21.9
109.10152	46.7
111.08082	6.4
113.05993	3.7
114.60658	4.0
115.44773	3.6
117.07002	16.9
119.08580	83.4
121.06485	9.7
121.10132	100.0
123.08056	16.0
123.11711	31.3
125.09621	8.3
128.06213	3.9
129.06978	14.8
131.08565	61.9
133.10124	53.8
135.08032	9.3
135.11700	16.0
137.09618	8.9
137.13216	6.0
139.07533	8.7
142.07776	15.9
143.08585	32.5
144.09299	14.0
145.10110	65.8
147.08012	7.3
147.11681	27.4
149.01164	4.8
149.09615	39.3
149.13274	21.4
155.08534	12.4
156.03706	5.4
156.09349	10.8
157.10141	47.6
158.10950	9.1
159.11691	71.2
161.09625	13.8
161.13283	11.4
163.14752	7.9
165.09132	27.1
165.12851	5.1
167.10674	22.5
169.10089	21.7
170.10886	15.7
171.11670	41.9
173.09589	8.9
173.13257	75.6
174.14040	6.3
175.11191	8.8
175.14789	17.9
177.12749	11.4
183.11710	15.8
185.13217	31.5
187.11174	17.3
187.14833	19.5
189.12778	7.9
191.14314	6.0
195.11690	11.2
197.13234	10.3
199.11192	10.8
199.14807	23.3
201.16367	4.5
203.14314	6.2
209.13255	5.9
211.14821	20.0
213.12726	11.1
213.16344	25.1
215.17924	9.6
217.15831	6.4
224.08020	33.6
225.16383	13.7
229.15791	4.6
231.13771	8.8
231.17337	5.2
241.19511	22.4
243.17412	10.1
245.19168	5.4
249.18594	4.4
251.18069	7.7
259.20483	7.9
269.19000	25.9
269.21707	4.7
287.16736	6.9
287.19995	47.5
305.10562	14.5
305.17407	10.7
305.21088	80.6
305.24725	40.6
305.28757	13.6
305.60791	8.1
306.16937	5.0
306.21088	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	305.1596
Annotation	Urechitol B
Peak:m/z	Relative Intensity
51.84539	4.9
55.05519	12.3
56.96567	7.7
58.06610	8.6
67.05497	22.5
69.03419	16.0
69.07062	24.8
71.04984	21.2
71.59947	7.9
79.05503	37.1
81.06634	9.2
81.07060	75.8
82.07379	5.1
83.04976	16.4
83.08561	7.3
84.04488	6.1
85.02899	13.8
85.06565	5.9
86.06081	37.3
86.09702	10.5
91.05469	29.1
93.07048	59.4
94.06579	10.7
95.04971	9.9
95.08602	14.3
97.02876	7.8
97.06531	53.6
98.97585	11.1
99.04452	16.9
105.07037	59.6
107.04968	5.8
107.08593	98.8
109.06507	36.4
109.10113	8.6
116.98652	7.4
117.07002	10.2
118.06541	19.3
119.01868	6.2
119.04961	29.6
119.07267	7.5
119.08591	19.5
120.08083	26.8
121.06521	10.4
121.10138	12.0
122.06026	25.9
123.08065	18.5
124.07607	14.0
125.05980	39.0
125.09605	8.7
126.09201	11.3
127.03928	5.9
127.07547	5.1
129.05452	7.0
130.08676	7.6
131.08559	13.9
133.10133	21.0
134.06027	8.6
134.99626	4.8
135.08073	13.4
135.11681	17.9
136.07564	34.8
137.05965	17.3
138.09129	8.3
140.07068	5.7
143.00186	5.5
143.07034	69.9
143.08533	10.9
145.06444	8.6
145.10133	100.0
146.06055	12.8
146.08075	30.3
147.06819	11.0
147.08052	6.4
147.11664	35.8
148.07599	15.5
150.05550	6.8
152.07097	5.4
159.08058	6.9
159.11694	46.4
161.09592	11.8
161.13307	8.4
161.79985	5.3
162.05513	7.7
163.11162	30.8
164.07071	89.2
169.10188	17.3
173.09648	36.3
177.12788	8.4
180.02930	8.4
181.06282	6.8
182.08170	7.2
187.11205	63.6
189.12773	21.0
191.10626	10.6
205.12263	82.6
207.13834	14.1
209.11728	5.4
213.10326	6.2
215.10710	51.2
219.05811	5.5
223.13268	54.9
233.11755	86.2
242.11708	8.7
243.71690	5.7
245.12889	15.5
251.12798	75.0
259.14410	9.9
269.12994	73.7
273.12378	12.7
287.10406	12.1
287.14389	71.1
288.12317	6.6
305.11530	11.2
305.14624	55.1
305.21643	7.0
305.24805	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	305.1596
Annotation	Urechitol B
Peak:m/z	Relative Intensity
53.03945	2.7
53.96867	1.9
55.01860	2.7
55.05513	8.7
56.96559	3.2
57.03431	2.8
57.07058	1.9
59.05001	2.3
65.03958	2.8
67.05511	15.1
69.03424	12.1
69.07073	14.9
69.56951	16.8
71.04986	5.7
71.49206	2.0
76.47640	1.9
79.05499	17.7
81.03418	3.1
81.07061	37.7
82.37251	2.0
83.04982	14.3
83.08609	3.3
84.08140	2.3
84.40009	1.9
85.02920	2.7
85.06529	9.3
91.05485	11.6
93.07047	43.3
95.04970	21.4
95.08610	24.7
97.02897	2.7
97.06520	18.7
98.20786	3.9
98.97593	5.3
99.04457	5.0
99.08091	4.5
101.06013	2.9
105.07030	23.9
107.04961	4.7
107.08593	30.1
109.06526	28.9
109.10154	13.8
111.08103	7.9
113.05989	5.5
115.07603	2.6
116.98637	2.3
117.07025	5.3
119.08570	13.5
120.08134	2.7
121.06530	12.2
121.10146	13.3
122.06024	7.5
123.08081	7.0
123.11735	6.1
124.07597	10.2
125.06045	9.2
125.09674	2.0
126.50794	2.2
127.07565	16.2
129.05493	2.4
129.07022	2.1
131.00175	2.6
131.08565	6.0
133.06461	1.7
133.10120	10.1
135.08047	13.4
135.11703	13.1
136.07579	100.0
137.09557	2.5
139.07524	9.0
139.11153	5.0
140.07050	2.7
141.05472	3.4
143.07060	9.2
143.08546	4.0
144.09311	2.0
145.06563	2.0
145.10149	24.4
146.99651	1.8
147.08080	1.8
147.11711	9.0
149.09654	2.2
149.13252	5.0
151.07512	2.6
151.11220	2.3
152.07057	18.4
153.12848	2.0
157.08620	4.1
159.06548	3.8
159.11694	16.9
161.09665	5.1
161.13295	4.2
163.11168	27.1
164.07076	88.7
165.12822	10.1
169.08765	2.1
169.10178	4.8
170.08209	3.5
171.11723	2.6
173.08150	2.3
173.09595	3.0
177.12720	10.6
179.10718	2.5
181.12209	14.0
182.08197	20.4
187.11198	24.8
189.12779	3.4
191.10620	4.6
195.13936	4.4
197.09663	5.0
199.13286	4.8
203.02155	2.9
205.12259	31.1
207.13777	2.5
209.11745	5.7
215.10721	9.3
223.13297	56.5
227.12779	7.8
233.11745	7.1
241.14346	33.3
245.13800	7.7
251.12766	26.1
252.13232	2.2
259.14835	3.5
269.13846	21.1
281.08456	2.8
287.13895	14.9
305.11850	2.7
305.14886	10.7
305.24728	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	305.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
55.01843	1.9
55.05493	4.3
56.96538	3.2
57.03416	1.7
67.05502	7.9
69.03414	4.4
69.07082	5.5
70.06584	1.9
71.04983	2.8
71.45246	1.0
71.60278	1.5
71.60622	1.2
72.08134	2.2
75.49801	1.1
78.57874	1.0
79.05479	5.9
81.03388	1.7
81.06643	1.4
81.07059	15.7
83.04961	3.0
83.08599	1.3
83.61594	1.0
84.04448	1.0
84.08144	1.2
84.96008	1.2
85.02905	5.1
85.06522	3.5
86.09707	2.3
91.05472	8.4
93.07043	9.4
94.06580	2.7
95.04948	4.6
95.08603	12.2
96.08115	1.6
97.02896	5.3
97.06495	4.6
98.97553	5.2
99.08083	2.7
105.07027	5.8
107.04928	2.3
107.08591	6.9
108.08076	1.9
109.06474	2.3
109.10172	7.5
110.06026	1.3
111.08099	1.5
111.32710	1.0
114.05555	6.5
116.98590	4.9
117.06959	1.9
119.08591	5.7
120.08102	2.9
121.06467	1.5
121.10160	6.5
122.06025	11.2
123.04406	1.2
123.08022	2.3
123.11668	4.1
124.07602	16.2
125.09585	3.3
126.09113	1.5
130.06516	11.1
131.00186	1.6
131.08527	2.7
133.10069	4.5
134.99602	3.2
135.08029	2.0
135.11639	3.3
136.07576	100.0
137.06012	1.9
137.09593	1.6
138.05521	5.5
138.09119	6.6
139.11160	1.2
140.07045	3.7
143.00104	1.6
143.10628	1.5
145.04997	1.1
145.10060	3.2
146.05988	7.6
146.99557	3.0
147.11620	3.0
148.06013	1.5
148.07460	2.2
149.01221	1.5
149.13211	2.6
150.05469	3.3
152.07079	18.7
157.10077	1.3
158.05951	2.4
158.99667	2.5
159.11674	4.1
161.01202	2.3
161.13303	1.2
163.11198	1.6
163.14806	1.5
164.07071	89.9
164.10681	4.9
166.04996	2.7
166.08678	1.6
168.06548	1.3
170.08133	6.8
171.11635	1.9
173.01270	1.2
173.09648	1.3
174.09064	1.8
177.00667	3.3
177.12726	2.1
179.02316	1.4
179.92751	1.1
180.03000	1.1
182.08148	20.5
184.07553	2.2
185.07053	1.6
186.09164	1.8
187.11171	2.6
187.14720	1.3
191.02296	1.5
192.10220	9.5
194.11682	2.0
203.02200	1.8
205.12250	1.9
207.07613	2.8
207.09691	1.2
213.10083	2.2
217.05960	3.2
217.13335	1.6
219.01826	2.5
223.13293	1.4
224.07872	1.8
224.10538	1.5
228.06432	1.8
231.14914	2.5
237.02713	1.6
241.13356	1.2
242.11783	1.7
245.09091	2.4
245.12950	5.2
255.11240	1.1
259.11099	2.2
259.14343	4.8
260.12790	1.5
269.09424	1.2
269.13342	6.7
270.11121	1.9
281.08478	3.8
287.10190	18.7
287.13766	24.8
287.16470	1.5
288.12109	3.3
295.63705	1.4
305.05515	2.5
305.11206	8.0
305.14816	37.9
305.17618	1.6
305.20670	1.4
305.24582	7.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
51.93950	0.2
53.03960	0.8
55.05513	0.8
56.05046	0.3
56.08278	0.2
57.03448	0.2
65.03950	0.3
67.05498	2.2
69.03426	0.4
69.07080	1.2
69.58565	1.4
71.05012	0.3
77.03924	0.4
79.05525	1.0
79.05909	0.2
81.07056	3.9
83.08607	0.4
85.06536	0.3
86.09716	0.5
91.05483	3.6
91.95779	0.2
93.05776	0.5
93.07047	4.4
94.06585	1.4
95.04962	2.2
95.08604	2.2
96.08136	0.7
97.06545	0.6
97.10114	0.3
99.08144	0.3
103.05460	0.2
104.05278	0.2
105.04492	0.3
105.07037	1.3
107.08598	1.7
108.08124	2.2
109.06530	0.5
109.10157	1.5
109.41949	0.2
111.08093	0.3
117.06957	0.3
118.06524	0.3
119.08587	0.9
121.10155	1.5
122.06030	5.8
123.11683	1.0
124.07593	9.4
126.05529	1.3
133.10129	0.7
135.08115	0.2
135.11682	0.7
136.07578	100.0
137.07909	1.0
137.13371	0.3
138.05553	0.3
138.09140	1.1
139.11240	0.4
140.07053	1.6
145.10103	0.6
147.11710	0.6
149.13246	0.7
150.05511	0.8
152.07071	19.8
153.01854	0.3
154.07664	0.2
157.10213	0.3
159.11722	0.4
161.13271	0.4
163.14844	0.2
164.07066	80.4
165.07381	1.1
166.08678	1.4
170.08118	5.2
173.13243	0.3
174.05847	0.3
177.16322	0.3
182.08130	18.7
183.08484	0.2
184.09709	0.7
194.90742	0.2
202.05859	0.2
269.22772	0.3
274.95023	0.2
287.13898	6.9
287.23611	0.5
300.12888	0.2
305.05533	4.1
305.11453	0.4
305.14856	2.1
305.17993	0.5
305.24673	2.1
306.05768	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	305.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.2
55.01879	1.3
55.05514	2.9
55.40444	0.5
56.96566	0.7
57.03440	0.7
57.07072	0.7
67.05492	4.4
69.03421	2.9
69.07063	4.4
70.06594	0.9
71.01393	0.5
71.04978	1.7
79.05493	3.7
81.03416	1.0
81.07053	12.2
83.04998	3.5
84.08139	1.1
85.02902	2.0
85.06533	2.1
86.69991	0.5
87.04479	0.7
91.05470	5.4
93.07037	11.9
94.06555	1.9
95.04971	4.7
95.08604	7.4
96.08096	1.3
97.02894	1.3
97.06533	5.6
98.97589	2.0
99.04446	1.8
99.08095	1.9
101.06007	1.0
102.21155	0.6
105.07037	6.2
106.85274	0.5
107.04948	1.4
107.08590	6.8
108.08134	1.3
109.06506	7.4
109.10149	3.4
111.04431	1.0
111.08054	3.1
113.05995	1.1
114.05521	0.8
116.98599	1.0
117.07020	1.0
119.08600	2.7
121.06487	3.5
121.10134	4.1
122.06038	5.2
123.08047	1.9
123.11700	1.3
124.07576	11.0
125.05952	2.8
125.09608	0.9
126.05518	1.1
127.07550	2.3
129.50356	0.5
131.08591	1.1
133.06503	1.3
133.10164	1.8
135.08031	1.8
135.11691	3.2
136.07571	100.0
137.06024	1.2
137.07898	0.8
138.05493	1.7
138.09135	0.9
139.07515	2.4
139.11201	1.0
140.07048	1.8
141.05438	0.9
142.12294	1.2
143.00003	0.6
143.07014	3.7
143.08539	0.9
143.12631	1.2
145.10118	6.3
146.99638	0.6
147.08032	0.7
147.11688	1.7
149.13240	2.0
150.05504	1.1
152.07065	17.3
153.09195	0.9
157.08592	1.7
157.10115	1.1
159.06552	1.0
159.11658	4.7
161.09686	1.1
161.13281	1.6
163.11180	5.8
164.07060	78.3
165.07381	1.6
165.12733	1.9
166.05019	0.8
169.10124	1.3
170.08113	4.9
171.11674	0.9
173.09575	1.0
174.08116	1.1
177.12729	2.5
181.12227	3.8
182.08121	18.1
183.08467	0.7
187.11148	5.3
189.12640	0.9
191.10725	1.7
192.10234	1.8
193.12271	0.7
195.13832	1.4
197.09708	0.9
199.13280	1.1
203.02361	0.7
205.12225	7.8
206.12454	0.6
209.11703	1.3
215.10634	1.9
223.13277	14.2
227.12718	2.1
233.11720	2.4
241.14343	7.7
241.36351	0.6
245.13791	1.5
251.12791	6.3
259.15036	1.0
269.13824	4.0
287.13885	8.5
287.23776	0.6
305.08087	1.3
305.14828	4.8
305.17834	1.3
305.24719	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	305.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03954	0.8
65.03934	0.3
67.05505	1.7
69.07058	0.7
69.81198	1.6
77.03931	0.4
77.08278	0.3
77.09290	0.3
79.05486	1.2
80.05024	0.3
80.91461	0.3
81.07051	2.5
86.09711	0.3
91.05484	3.0
93.05776	0.5
93.07044	2.7
94.06567	1.0
95.04976	1.6
95.08624	1.2
96.08122	0.6
105.07019	0.5
107.08588	0.9
108.08113	1.5
109.06494	0.4
109.10165	0.7
119.08552	0.4
121.10152	0.9
122.06036	3.9
123.11702	0.4
124.07596	9.8
126.05493	1.2
133.10123	0.4
135.11673	0.5
136.07574	100.0
137.07890	0.9
138.09145	1.0
140.07057	1.8
147.11702	0.4
149.13245	0.4
150.05525	0.6
152.07068	20.2
159.11597	0.3
164.07065	81.6
165.07315	0.6
166.08617	0.9
170.08125	5.8
170.09570	0.3
182.08130	17.8
184.09682	0.5
287.13892	5.8
305.14923	2.3
305.24667	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	305.0181
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37214	0.9
55.61390	0.9
56.96562	100.0
57.03444	1.9
58.51187	1.1
61.02952	1.2
68.96556	0.9
69.03442	2.5
70.06595	1.1
70.52663	3.4
70.97736	1.3
70.98119	16.6
71.95277	6.3
72.08156	1.3
72.96062	2.1
74.97628	3.8
80.05031	1.5
81.04554	1.3
82.68897	0.8
84.96034	4.9
85.02908	5.3
86.09729	1.1
88.99146	10.0
89.17673	0.8
92.98632	1.4
95.08621	0.9
97.02904	3.4
97.99205	1.1
98.97578	70.2
99.04475	0.9
107.00221	2.9
110.97585	4.6
112.99183	3.3
115.00713	1.9
116.80640	0.9
116.98616	57.2
119.01962	3.1
124.03934	1.3
124.95478	6.0
124.99087	1.0
125.02416	1.7
126.97086	1.0
127.03944	1.7
128.98593	9.4
131.00146	5.4
131.01923	1.4
131.05592	2.2
131.99120	0.9
133.01810	4.0
133.03471	1.6
134.99657	38.2
140.00206	1.6
140.98608	2.7
141.02261	0.9
141.06630	4.2
142.96513	12.7
143.00174	8.1
143.01979	1.6
143.03442	11.1
143.08118	5.1
144.98109	2.6
145.01759	3.1
145.03546	2.0
146.99663	11.7
149.01198	4.6
149.06642	3.1
151.86238	0.9
152.98671	1.2
153.00696	5.6
154.96584	1.5
155.01927	1.2
155.05588	1.1
158.99657	11.5
159.03307	1.9
160.97580	11.5
161.01213	14.9
161.02715	1.3
161.03036	1.2
161.06677	3.6
161.94508	1.1
162.99141	4.5
163.02841	1.5
165.00713	7.4
170.95992	4.8
170.99724	2.0
172.97528	6.0
173.01411	1.3
173.03009	3.5
173.06680	3.8
174.99144	9.6
177.00716	13.4
178.98671	1.8
179.02264	7.4
183.01711	1.2
184.97595	5.9
185.01318	2.8
185.02994	1.0
185.06715	2.1
186.99237	3.4
188.97063	29.2
189.00677	8.7
190.95525	1.0
190.98630	26.2
191.00276	1.5
191.02251	5.5
193.00197	12.8
195.01859	2.1
195.54007	1.7
201.00807	2.5
202.98624	17.7
203.00177	1.7
203.02257	17.4
203.03879	1.6
203.07544	4.5
205.00169	10.7
206.98143	22.3
206.99933	1.6
207.01694	7.1
208.99702	6.7
211.01447	1.6
211.98790	1.5
212.97255	1.9
214.00372	1.0
214.98689	6.1
215.02368	2.2
215.07645	6.5
217.00206	4.8
219.01721	6.3
220.99716	17.0
221.03358	3.4
221.05202	2.8
223.01208	5.9
224.99339	2.6
226.00291	1.3
228.02003	1.2
230.98116	25.5
232.99686	15.4
233.03333	1.2
235.01266	7.7
237.02841	6.0
239.00699	4.9
244.99664	5.0
245.03455	1.9
247.01282	1.2
248.99174	17.1
249.01425	1.5
251.00856	2.6
256.01529	1.4
263.00739	28.6
263.03461	1.6
267.00375	3.2
274.53647	0.9
275.04791	0.9
275.09912	1.2
281.01794	28.7
286.02448	2.4
299.03024	3.8
305.02161	1.1
305.05475	25.6
305.12024	55.2
323.02951	2.7
323.06439	24.7
323.10153	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0182
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96567	100.0
57.03446	1.0
60.95850	0.7
61.02924	1.7
68.50526	0.9
69.03432	2.5
70.02098	3.6
70.06610	0.7
70.98123	18.9
71.95264	4.9
72.96049	2.5
73.02930	0.8
74.97626	3.0
80.05034	1.3
81.79312	0.6
84.08138	0.6
84.96024	4.6
85.02910	4.2
88.99165	10.4
93.77356	0.7
97.02921	3.5
98.20815	0.8
98.97586	81.9
102.97047	0.7
107.00179	3.4
110.97581	8.3
112.99114	3.6
113.03466	1.1
115.00748	1.7
115.72500	0.6
116.07089	0.9
116.98627	63.2
119.01922	2.7
124.03940	1.5
124.95483	6.4
124.99134	1.9
125.02379	0.9
125.03569	0.6
125.07107	0.7
127.00713	0.8
127.03911	0.9
127.91114	0.7
128.98615	11.9
129.03949	0.9
131.00169	5.8
131.01900	2.1
131.05553	2.9
133.01756	4.1
133.03491	1.7
134.99664	34.0
140.00204	2.4
140.98611	2.9
141.02264	0.9
141.06593	2.7
142.96526	13.8
143.00185	8.7
143.03397	13.7
143.08089	3.7
144.98108	1.3
145.01645	3.4
145.03432	1.1
146.99660	11.4
149.01215	4.1
149.06575	3.5
151.02795	1.2
152.94966	0.8
152.98611	1.2
153.00769	4.8
155.01930	1.6
156.98105	1.0
158.01300	2.2
158.99669	7.8
159.03313	1.8
160.97601	9.7
161.01242	15.7
161.02660	1.3
161.06590	2.8
162.99156	3.1
163.02834	1.1
165.00751	8.1
170.96030	4.6
170.99683	2.2
172.97597	8.2
173.01283	1.8
173.03009	2.9
173.06612	4.0
174.99136	6.9
175.04686	0.7
177.00725	12.8
177.04318	1.3
178.98741	1.5
179.02255	6.3
181.00258	0.9
183.01759	0.9
184.02716	0.7
184.97583	7.0
185.01265	4.4
185.02826	1.1
185.06645	2.4
186.99162	2.5
187.08257	0.7
188.97079	34.2
189.00705	8.9
190.98640	19.4
191.02258	4.6
192.04625	0.8
193.00214	12.1
195.01791	1.1
197.01273	1.0
201.00711	2.8
202.98653	16.5
203.02290	17.9
203.03932	1.1
203.07568	5.5
205.00221	10.2
206.98137	26.7
207.01785	7.8
208.99696	6.8
211.01257	1.7
211.98662	0.9
212.97121	2.5
214.00168	0.7
214.98666	5.5
215.02287	2.2
215.07664	6.1
217.00175	4.0
218.98315	1.2
219.01794	5.8
220.99718	15.4
221.03098	4.8
221.05208	3.7
223.01279	5.1
224.99216	2.0
226.00240	0.9
228.01741	1.1
229.99866	0.9
230.98134	25.1
232.99690	12.4
235.01228	7.1
237.02837	9.3
239.00708	3.8
239.07613	1.1
241.02211	0.8
244.01189	1.0
244.99734	6.3
245.05258	1.2
245.08687	0.9
247.01340	1.5
248.99193	15.8
251.00784	2.9
253.99733	1.3
263.00751	22.5
267.00293	2.4
275.00888	1.4
275.04376	0.8
281.01782	17.0
286.02344	2.3
293.01785	1.1
299.03055	3.3
305.02158	1.3
305.05466	28.6
305.12012	38.9
323.03214	1.0
323.06491	28.0
324.07062	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1907
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.0
56.96546	0.8
57.07063	0.8
59.04991	0.4
65.03935	0.7
67.05500	1.6
69.07066	3.1
72.37139	0.4
72.77478	0.5
74.06091	0.7
79.05488	1.7
79.88470	0.4
81.07050	1.6
83.08618	0.8
88.07619	1.5
91.05465	0.5
92.04989	0.8
93.07046	2.3
95.08607	1.9
96.08917	0.6
97.06534	1.5
105.07012	0.6
107.04940	0.6
107.08591	2.5
109.05243	0.5
109.06499	0.5
109.10133	1.4
110.03658	4.3
111.04433	4.1
119.08602	0.5
120.04490	0.6
121.10158	0.7
122.08099	0.6
124.07554	2.0
125.05981	9.7
125.09622	0.8
133.10133	0.9
135.11678	2.1
137.04710	4.2
137.05977	3.0
152.07063	100.0
153.07430	2.0
177.09137	0.5
215.68854	0.4
256.26401	1.5
257.10666	0.4
304.05325	1.2
304.19186	5.4
304.23444	0.9
304.28857	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	304.139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	2.0
56.96560	1.7
57.03433	1.2
61.02923	1.1
67.05476	2.1
68.05830	0.8
69.03429	3.1
69.07050	2.6
70.06593	1.6
71.58401	1.3
71.58780	0.9
72.08140	0.9
79.05499	5.8
81.03407	1.0
81.05803	4.7
81.07068	4.4
82.06577	1.3
84.08103	1.1
85.02888	3.1
86.09704	2.7
91.05447	0.8
93.07029	1.6
94.06569	1.7
95.04944	1.4
95.08593	6.2
96.08124	18.3
96.08894	3.2
97.02866	1.9
97.06512	1.9
98.97558	1.1
105.07004	1.5
106.06553	2.6
107.08579	1.8
108.08908	1.5
109.02876	1.1
109.10182	1.3
116.98653	0.9
119.08554	1.7
120.08097	1.1
121.10114	1.3
122.05981	1.2
123.04412	1.5
124.07594	100.0
125.06001	2.5
125.07923	0.8
125.09619	1.3
127.03905	1.3
129.01083	0.9
133.10112	1.9
134.10396	1.0
134.99617	1.0
135.11674	1.7
136.12094	0.9
142.08633	2.5
148.11975	1.1
151.05151	0.8
153.01837	1.9
162.05389	1.0
162.11905	0.9
162.13545	1.6
164.07118	1.2
174.13689	0.9
177.00731	1.2
179.03304	1.2
185.09396	0.8
187.61981	0.8
204.18190	1.2
220.28162	0.8
231.06516	1.4
258.22913	2.3
268.11615	0.8
286.22516	1.9
304.14459	7.0
304.23569	3.6
305.11246	1.3
305.14850	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	303.2317
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
55.05501	11.0
67.05504	22.2
69.07055	15.3
79.05499	8.3
81.07052	19.6
83.02379	3.4
83.08618	12.3
91.05489	6.3
91.17991	3.7
93.07018	20.6
93.63505	3.0
95.08607	100.0
97.06547	4.4
97.10180	5.9
98.20686	6.0
105.07019	18.0
107.08588	37.1
109.10142	31.0
111.08062	4.2
119.08601	22.3
121.10155	29.7
123.11680	12.9
125.05978	5.8
131.08525	6.3
133.10146	23.7
135.11702	35.6
137.13181	5.4
141.09166	4.5
142.65904	4.1
145.10083	9.9
147.11685	16.2
149.13243	13.1
159.11682	9.6
161.13275	14.5
163.14827	13.6
167.19897	3.6
173.13248	11.6
175.14886	4.4
187.14827	11.0
189.16444	3.8
191.17929	4.2
201.16406	8.7
203.17924	23.2
207.13860	4.5
207.17438	4.4
213.71883	3.6
221.15288	3.9
229.82257	4.3
233.15440	6.8
243.17389	4.2
243.20959	5.6
257.22552	23.6
285.22098	10.3
303.04990	14.6
303.23227	51.3
303.26584	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	304.1214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80873	2.3
55.05505	4.6
56.96565	37.3
62.32277	2.3
67.05504	5.3
69.07071	3.3
70.06586	3.5
79.05498	5.3
81.07055	8.7
82.07394	2.8
83.08611	2.4
86.03835	2.1
88.07631	6.0
91.05475	2.4
93.07040	8.9
95.08605	14.6
96.08952	6.9
97.06511	2.5
104.47447	2.4
105.07026	3.1
107.08599	12.7
108.08933	3.8
109.10130	8.3
110.10564	5.9
113.05993	3.6
117.06964	2.2
119.08569	4.1
121.10153	6.2
122.10475	4.0
123.11735	2.7
131.08565	2.3
131.97398	2.2
133.10138	3.6
134.10561	2.7
135.08018	6.9
135.11720	5.6
136.12030	3.7
139.00706	2.3
146.10455	3.3
150.11267	3.5
150.13585	2.7
157.01768	2.4
162.13647	2.2
163.07570	3.2
163.11235	2.8
167.10684	4.2
169.01802	4.5
171.03287	12.4
185.04843	5.0
189.04367	8.9
197.04980	3.2
199.04318	2.4
199.06322	5.1
203.05878	8.0
204.18323	4.4
217.07516	6.1
225.07930	5.6
227.12671	5.2
242.21184	8.5
242.24631	3.5
251.09589	5.1
255.12334	6.2
258.22974	5.6
263.09552	15.0
269.10382	2.9
281.10605	100.0
282.11026	4.0
286.23703	5.3
299.11652	80.2
304.05118	3.6
304.12216	23.7
304.19449	6.2
304.23691	9.0
304.28979	2.9
322.13232	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	303.2318
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
51.52631	1.4
55.05510	8.4
57.07076	8.0
60.04514	2.1
64.54922	1.2
65.03941	1.6
67.05499	16.3
69.03412	2.2
69.07068	14.0
69.33273	7.7
69.33701	6.3
70.06599	7.6
71.04993	1.8
71.06917	2.5
71.08633	2.9
78.79976	1.3
79.05488	8.8
79.64508	1.5
80.20585	1.3
81.07053	32.2
82.94855	1.2
83.04993	1.8
83.08613	10.9
85.10157	1.8
88.07622	10.5
89.07959	1.7
91.05485	17.4
93.07040	21.9
95.04974	5.5
95.08604	63.8
96.08984	1.5
97.06495	2.4
97.10155	2.8
102.09148	2.0
104.33218	1.3
105.06393	1.9
105.07027	23.7
106.08647	5.5
107.04966	2.5
107.08583	32.7
109.06506	3.1
109.10155	21.1
110.35297	1.4
117.06986	4.0
119.08581	31.9
121.06477	3.0
121.10140	23.0
123.08020	3.2
123.11688	9.7
125.05971	3.4
131.08554	8.4
133.06456	1.5
133.10130	27.2
135.08044	4.8
135.11691	19.6
137.09601	2.0
137.13197	3.3
139.07574	1.6
141.09117	1.5
143.08565	5.2
145.10112	8.6
147.08041	34.9
147.11681	15.5
149.09628	4.9
149.13272	12.8
155.08554	1.9
157.10130	5.1
159.11703	6.4
161.09633	9.7
161.13234	10.7
161.26759	1.6
163.11165	3.8
163.14828	6.8
165.09166	1.4
169.10158	3.4
171.11714	3.1
173.09676	2.4
173.13208	6.9
175.11215	4.5
175.14813	5.5
177.16373	4.2
179.10710	2.0
181.12282	2.4
183.11673	2.0
185.13263	3.2
187.11218	1.7
187.14841	6.1
189.12822	2.4
189.16367	3.9
193.12231	2.5
197.13289	3.6
199.14862	2.6
201.16386	5.9
203.17924	8.9
207.13852	1.8
211.14806	2.7
215.17938	2.0
217.15857	1.9
221.15253	2.4
233.15204	1.9
241.19653	2.1
243.17432	2.6
243.20946	1.9
257.22653	19.3
267.21097	8.0
285.22110	50.2
285.29663	8.7
292.18961	1.4
303.04883	12.8
303.19629	5.2
303.23160	46.4
303.30844	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	303.2318
Annotation	(5Z,8Z,11Z,14Z,17Z)-Icosapentaenoic acid
Peak:m/z	Relative Intensity
52.28440	9.2
55.05518	11.6
67.05504	22.2
69.46242	28.1
69.46648	59.3
78.17275	8.7
81.07062	28.4
82.92348	8.1
83.08624	12.6
91.05534	10.6
93.07049	24.3
95.08613	100.0
105.07047	17.9
107.08607	42.0
109.10159	26.5
119.08571	27.9
121.10156	37.1
123.11717	13.3
131.08575	9.7
133.10124	17.9
135.11693	33.8
143.03345	10.5
145.10097	13.0
147.11668	17.8
149.13219	11.5
159.11661	15.0
161.13329	11.2
203.17841	12.5
233.15436	12.2
257.22687	12.5
303.04901	34.7
303.23218	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	303.134
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.6
57.07082	0.9
65.03934	2.4
67.05504	3.5
69.03418	1.3
69.07082	3.4
69.56454	0.6
69.99522	3.3
71.04967	0.7
76.44217	0.5
79.05495	2.4
81.07063	7.6
83.04996	1.4
83.08629	0.5
86.09727	1.4
91.05482	3.1
92.05009	2.4
93.07059	5.7
94.06595	0.8
95.04971	2.4
95.08616	5.7
97.06549	1.8
98.20794	0.8
98.97614	0.6
103.05467	1.4
105.07023	4.2
107.08595	6.1
109.06542	1.4
109.10150	4.3
117.07023	0.9
119.08585	5.7
120.04508	0.6
120.08113	14.0
120.08944	1.3
121.06476	0.8
121.10160	5.0
123.08076	0.6
123.11725	1.9
131.08586	1.7
133.02634	0.6
133.10147	3.6
135.08040	1.5
135.11690	2.9
137.05981	2.6
137.09570	1.1
138.05515	22.7
138.09146	8.7
143.08546	1.0
145.10097	2.9
147.11737	4.7
149.05772	0.7
149.09633	1.1
149.13281	1.2
150.09093	1.1
153.01855	2.3
157.10150	1.4
159.11708	3.3
161.09666	0.7
161.13266	1.9
163.05006	0.6
163.07542	0.7
163.11137	1.1
163.14847	1.2
166.05017	35.0
167.05316	1.1
171.11702	0.7
173.13268	1.9
175.11186	0.7
175.14867	1.0
177.12869	0.7
185.13287	1.0
187.14856	2.1
189.12808	0.7
191.14417	0.7
196.09882	0.9
197.13344	0.7
198.09164	0.6
201.05475	1.0
203.17918	0.9
205.15846	0.6
211.12329	2.0
212.10779	2.4
214.12277	3.4
217.15884	0.8
224.10738	0.8
228.08972	0.8
229.05008	3.3
229.09676	0.7
229.13339	1.8
230.11839	1.2
232.13252	3.1
239.11868	1.4
240.10201	1.0
242.11765	2.6
243.21120	0.9
245.04472	1.0
256.08206	1.4
257.04428	3.4
257.09024	1.6
257.09772	1.1
257.12863	10.2
257.22662	1.2
259.06052	2.5
259.12000	0.8
260.12894	3.1
267.11316	0.9
267.21194	1.1
271.09631	0.7
272.11551	12.4
274.09500	7.6
275.05664	2.8
275.10056	1.0
275.13907	5.5
285.03946	2.3
285.12344	14.6
285.18997	0.8
285.22198	3.7
303.05206	8.5
303.13416	100.0
303.23038	13.2
304.13828	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	303.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57808	0.6
53.03929	0.6
55.05502	2.5
56.96539	1.4
57.03431	0.8
57.07064	0.8
57.18653	0.6
61.02923	0.6
67.05499	7.0
69.03413	1.2
69.07066	5.6
70.06577	1.6
71.04974	1.5
71.58764	0.9
71.61489	0.5
72.08153	1.2
73.02850	0.6
79.05492	4.7
81.06591	0.8
81.07048	10.4
83.02802	0.6
83.04977	2.7
83.08607	1.9
84.08112	0.8
85.02895	1.5
85.06519	1.2
85.96333	0.5
86.09696	1.4
87.10049	0.6
91.05475	4.3
93.07044	8.1
95.04948	2.2
95.08604	22.8
95.31537	0.6
97.02885	2.6
97.06527	6.2
97.10172	0.8
98.97596	1.4
99.04459	0.9
99.08060	0.8
104.92978	0.6
105.07027	5.1
107.04929	1.2
107.08591	11.6
109.06499	1.4
109.10164	8.8
111.04426	1.0
111.08092	1.4
116.07096	1.3
116.98597	0.7
117.07012	1.4
118.12641	0.6
119.08585	7.4
121.06509	2.1
121.10141	7.9
122.06038	0.9
123.08071	2.5
123.11704	2.6
124.07588	2.4
125.06016	3.8
128.98657	0.6
131.04883	0.8
131.08537	1.8
133.10139	5.1
135.08069	1.5
135.11681	8.0
136.07610	0.9
137.05989	1.4
137.09628	0.7
137.13269	0.7
139.07582	1.1
139.11072	0.9
141.09146	1.2
143.07018	4.9
145.10133	3.0
147.11674	3.6
149.09621	1.2
149.13229	1.9
152.07024	0.7
153.01810	1.0
155.10614	0.6
157.10121	1.5
159.11707	2.4
160.07716	0.6
161.09625	2.4
161.13263	3.6
162.05527	1.3
163.07565	0.8
163.11211	2.0
163.14847	2.5
165.06972	0.6
171.11670	1.2
173.13283	2.6
175.11195	0.7
175.14854	1.7
179.10677	1.6
185.04025	0.8
187.14844	2.5
189.12677	1.4
189.16418	1.2
193.12303	1.0
197.11729	0.8
201.16371	1.6
203.10670	1.2
203.17937	4.7
207.10190	1.0
207.13860	1.7
215.18008	0.8
221.15463	0.8
223.22604	1.0
229.05128	0.6
229.19543	0.7
233.15306	1.3
239.12817	1.8
243.21080	1.5
257.13477	0.9
257.22672	3.7
267.21356	0.9
285.12268	3.7
285.18829	0.9
285.22180	3.8
286.10397	0.9
303.05029	9.0
303.14114	100.0
303.23239	15.2
303.61279	0.7
304.14465	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	303.1074
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.30704	2.6
53.03942	4.4
55.05509	41.0
56.96560	8.7
57.03434	4.3
59.04437	2.2
60.04515	2.9
67.05497	7.3
69.03429	41.8
69.07059	4.4
69.95680	2.2
70.06573	3.1
71.04981	7.4
71.59598	4.4
72.08134	4.6
73.02925	2.9
73.06557	100.0
77.22987	2.7
79.05475	6.3
81.03427	32.5
81.07059	8.8
83.04970	5.5
85.02904	22.5
85.06551	2.9
86.09737	6.8
88.07616	3.7
91.05452	4.2
93.07035	7.8
95.08607	20.4
97.02889	9.6
97.06499	4.7
98.97574	2.6
99.04454	21.5
101.05370	4.9
101.06024	80.3
105.07030	4.8
107.08595	5.8
109.02868	10.6
109.10153	7.4
111.04453	7.3
115.48656	2.3
116.07075	3.8
116.98650	7.0
118.04575	2.4
119.08590	7.3
121.10143	6.7
123.08067	8.3
127.03902	19.3
129.10229	3.8
133.10141	3.9
134.99608	3.0
135.11682	4.7
136.07622	2.6
141.05260	13.0
141.09137	6.3
141.10205	10.0
143.03429	12.2
145.04948	4.5
145.10112	3.9
147.11725	4.7
149.13329	3.3
156.20610	2.5
176.09166	2.6
181.08598	2.7
185.04176	8.9
189.12546	2.9
199.09625	5.0
203.18098	2.7
213.03859	12.3
214.05673	2.8
230.24559	2.5
231.05013	10.8
237.02859	3.4
255.00359	2.8
257.22855	2.9
285.09723	9.7
303.05029	8.5
303.10519	99.0
303.19925	3.6
303.23108	11.3
319.00113	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	303.1338
Annotation	Altiloxin B
Peak:m/z	Relative Intensity
55.05500	0.5
55.93694	0.3
56.96532	0.3
60.39683	0.3
60.56176	0.3
60.73885	0.3
65.03935	1.0
67.05499	1.6
69.03429	0.3
69.07062	1.9
70.71716	0.8
70.72076	0.4
71.05013	0.3
74.68099	0.3
77.03940	0.3
79.05490	1.9
81.03407	0.5
81.07057	1.5
82.06570	0.6
83.04998	0.5
83.18200	0.3
85.02892	0.3
86.09686	0.7
86.42316	0.2
87.48644	0.3
89.03909	0.7
91.05464	1.0
92.04996	0.9
92.52045	0.2
93.07026	1.3
94.06572	1.6
95.04962	1.1
95.08608	2.1
95.54358	0.2
96.04475	0.5
96.08111	0.3
97.06551	0.3
98.97594	0.3
105.07015	1.1
106.06557	1.9
107.04935	0.7
107.07339	0.8
107.08550	1.3
109.06518	0.8
109.10148	0.8
110.06049	5.5
111.08027	0.3
112.07623	0.7
113.06003	0.3
116.05021	0.6
119.08573	0.8
120.04465	10.4
121.10144	1.2
122.06030	3.4
122.57618	0.3
123.11759	0.3
124.07588	4.0
133.10136	0.8
134.06006	4.1
134.40497	0.3
135.04410	0.6
135.08031	0.4
135.11650	0.6
136.07594	0.4
137.05965	0.7
138.05539	0.6
140.07072	6.7
141.07851	5.8
142.08633	16.1
144.04480	0.9
145.10054	0.3
147.11662	0.5
154.08611	1.6
154.93831	0.3
158.06004	0.3
159.11687	0.6
161.13239	0.4
162.05498	100.0
163.05989	2.3
164.07043	1.2
173.13272	0.4
187.14819	0.3
198.09111	0.5
203.17953	0.5
216.10191	1.4
217.13504	0.4
217.71239	0.2
223.22517	0.4
225.20377	0.3
230.08110	0.4
233.12570	0.3
240.10135	0.3
243.11395	1.5
244.09683	1.2
257.12946	0.4
258.11276	2.8
261.12338	6.3
268.09723	0.3
279.13370	4.1
285.12271	2.5
285.22372	0.7
286.10751	3.4
303.05231	0.6
303.13373	14.9
303.23260	2.8
304.13696	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	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	9.4
56.96563	24.4
57.03439	6.3
57.30635	4.3
61.02915	4.7
61.11367	4.5
64.48054	4.6
67.05503	11.1
69.03429	18.4
69.07079	7.3
70.06599	7.6
70.21100	19.7
73.06557	9.2
81.03436	9.7
81.07074	8.5
81.99290	4.4
83.08626	6.0
84.04550	4.8
84.08155	5.5
84.96016	7.6
85.02910	39.6
85.97213	5.0
86.09697	6.8
91.05513	5.4
93.07034	6.4
95.08610	25.7
97.02891	16.9
98.97581	54.3
105.07016	5.2
107.04940	5.4
107.08613	12.4
109.02847	8.8
109.10131	8.1
110.07193	10.5
110.97630	5.7
116.98622	47.3
119.01956	4.8
119.08570	8.6
121.10150	8.1
123.04369	9.2
124.70267	4.5
127.03918	7.7
128.98604	10.3
133.10118	11.6
134.99648	26.2
135.11717	8.8
141.05235	53.6
145.10115	5.4
146.99666	16.4
147.11670	6.1
149.13365	4.8
153.09071	6.5
155.04697	9.4
158.99687	19.0
159.03282	9.8
161.01323	4.7
161.13269	6.4
163.14708	6.1
169.83192	4.5
177.00737	41.1
177.04333	10.8
185.04257	19.0
195.01740	6.4
201.04329	6.0
201.06070	10.7
203.17947	6.3
219.01793	20.5
222.06506	10.1
237.02832	35.8
255.03925	4.8
257.22668	13.3
285.09357	6.1
303.07825	31.6
303.11011	100.0
303.23245	20.9
321.08530	24.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14585	6.8
55.01869	9.9
56.96558	16.4
57.03434	19.8
61.02925	30.0
69.03427	40.0
70.88125	14.2
70.88463	10.2
73.02913	25.8
81.03448	10.5
85.02919	84.2
87.04511	8.7
88.53898	7.6
97.02884	23.9
98.97596	51.3
99.04469	11.3
116.98621	18.3
119.01867	20.3
122.42903	7.3
127.03900	26.5
128.02321	20.1
128.98592	14.3
137.02863	8.7
137.62062	6.8
140.08165	11.9
141.03111	11.8
146.02370	11.8
150.03633	9.6
158.99666	18.1
161.02960	10.7
177.00746	9.5
183.02354	13.3
189.00804	14.0
191.03900	21.3
196.14627	8.1
200.04440	25.7
204.02885	20.4
213.03398	72.2
213.05331	16.8
222.03934	39.3
222.05853	13.5
237.02826	12.3
247.01170	8.7
263.00867	8.3
281.05600	10.4
294.06116	10.2
303.08307	100.0
303.13632	13.3
304.07993	18.4
306.27155	7.6
306.30820	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	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
55.01863	0.3
55.05499	0.6
57.03420	0.2
63.41990	0.1
65.03934	0.6
67.01857	0.3
67.05505	1.2
68.99784	1.7
69.03413	0.5
69.07066	0.7
69.49349	0.5
69.49786	0.5
71.04980	0.3
74.58854	0.1
79.05486	0.7
81.03423	1.1
81.07050	1.6
83.04973	0.2
83.08629	0.4
84.08128	0.4
85.02899	0.3
86.06048	0.4
86.09705	1.4
87.10049	0.1
87.88910	0.1
90.37881	0.1
91.05473	0.7
93.03400	0.7
93.07030	1.0
95.04972	1.4
95.08597	1.6
97.02892	0.3
97.06497	0.3
97.10148	0.2
97.51376	0.1
103.05443	0.3
105.03392	0.3
105.07025	0.9
107.04925	0.3
107.08597	0.9
109.02880	0.7
109.06506	0.3
109.10130	0.9
110.03673	0.1
111.00806	1.7
111.04446	0.3
111.08064	0.2
115.05470	0.1
115.88876	0.1
117.07034	0.6
119.08576	1.0
120.08099	1.3
121.02860	1.8
121.06482	0.4
121.10149	1.1
123.00795	0.2
123.04391	0.7
123.08014	0.2
123.11701	0.3
127.03901	0.4
128.06177	0.2
129.06992	0.2
131.04921	0.4
131.08583	0.3
133.06535	0.2
133.09219	0.1
133.10100	0.6
135.04427	0.5
135.08067	0.4
135.11681	0.7
137.02333	6.3
137.03362	0.3
137.05948	0.7
137.09560	0.2
143.08527	0.2
144.10150	0.6
145.06479	0.7
145.10088	0.4
147.08101	0.1
147.11694	0.6
149.02336	0.7
149.09589	0.2
149.13246	0.3
151.11217	0.2
153.01819	8.6
154.02068	0.2
155.04903	0.8
157.06461	0.2
157.10202	0.3
159.04433	0.2
159.11711	0.3
161.06018	0.7
161.09583	0.2
161.13242	0.3
163.03931	1.0
163.11209	0.2
165.01830	3.3
165.12860	0.2
166.02573	0.6
166.08609	0.4
166.52319	0.1
171.11642	0.1
173.05984	1.3
173.13232	0.3
175.11215	0.2
175.14879	0.2
177.05492	0.3
178.07851	0.1
179.03380	0.4
183.02878	1.3
183.04425	0.7
184.05060	0.2
187.03862	0.7
187.14778	0.2
189.12764	0.1
189.16360	0.2
191.03381	0.3
191.07037	0.2
192.10129	0.1
193.10204	0.2
193.12204	0.4
195.02864	0.5
199.14844	0.2
201.05458	3.8
201.16193	0.1
202.05806	0.2
203.17969	0.3
205.05002	0.5
207.02966	0.1
211.03877	0.4
213.05479	0.3
215.03340	0.2
219.06529	0.5
228.04231	0.6
228.59985	0.2
229.04948	8.5
230.05386	0.3
233.04482	0.2
239.03401	0.3
239.20079	0.2
241.12169	0.1
245.04520	0.2
247.05951	0.9
247.16989	0.1
249.23917	0.1
257.04443	5.0
257.12823	0.1
257.22647	0.2
258.04929	0.2
266.24728	0.2
267.25015	0.1
271.14343	0.2
272.12784	0.2
274.04712	1.3
275.05429	0.5
285.03915	2.3
285.12299	0.4
285.22009	0.3
286.04398	0.2
299.14163	0.3
302.26926	0.3
303.04974	100.0
303.23120	1.7
303.27032	0.7
304.01822	0.2
304.05313	4.2
310.10953	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	302.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.7
53.83446	0.5
55.05509	8.0
56.05033	0.9
56.96562	2.3
57.03417	0.7
57.07064	0.7
59.78645	0.5
60.04523	2.1
63.43484	0.5
67.05511	2.4
69.03448	3.5
69.07071	1.8
69.92160	3.6
70.06584	3.3
71.04984	0.8
72.08154	100.0
73.02901	0.6
73.08495	1.2
73.56601	0.7
79.05502	1.9
81.03426	2.0
81.07066	3.4
83.04984	0.8
83.06127	0.6
84.04504	9.2
84.08151	2.8
85.02904	10.1
86.09705	49.2
87.04475	0.8
87.10036	0.7
88.03990	0.9
91.04019	0.7
91.05479	2.7
93.07051	1.6
94.06544	0.8
95.04966	1.7
95.08603	2.3
96.04480	0.9
96.08976	0.6
97.02890	8.6
97.06534	0.8
98.97607	1.7
99.04388	0.6
100.07621	0.9
101.06032	0.8
103.03991	0.7
105.07043	1.8
107.08610	2.7
108.08112	1.9
109.02892	1.9
109.04032	0.6
109.06563	0.9
109.10145	1.4
112.07594	0.9
112.08835	0.6
114.05534	0.9
114.09145	0.9
116.32076	0.7
116.98620	1.8
118.08620	1.3
119.08636	1.1
120.08121	1.4
120.08950	1.0
120.79742	0.6
121.06519	0.9
121.10155	1.3
122.06042	2.5
123.08050	1.2
124.07608	0.8
125.06011	1.1
126.05487	1.1
126.09199	1.0
127.03942	2.4
128.98633	0.7
129.10228	1.5
130.06557	2.0
131.08548	1.1
132.10194	10.7
133.10139	1.8
134.99643	1.4
135.11700	1.1
136.07625	2.8
137.06052	0.8
138.05499	3.1
140.07068	5.7
141.09145	0.8
143.11794	64.4
144.12157	0.9
145.04985	1.4
145.10240	0.8
146.99725	0.9
152.07071	3.2
154.08629	1.2
157.13368	19.8
158.99678	1.0
162.05550	1.8
164.07103	2.3
171.07712	2.6
171.11290	39.3
177.00740	1.2
178.08717	1.5
182.08130	11.1
185.12859	11.8
185.14391	1.0
193.12277	1.2
201.12392	1.0
203.13869	4.6
206.08141	3.9
207.08492	0.7
210.15070	0.7
222.08363	0.8
231.17004	3.0
237.02943	1.0
241.09856	0.7
242.10509	0.8
248.09258	1.0
256.09665	1.2
256.12167	1.1
257.12955	0.9
284.11575	1.5
285.12473	3.3
302.12656	5.3
302.21838	2.2
303.05093	1.1
303.13504	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	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.6
54.03459	1.0
55.01868	1.2
56.96560	2.3
57.03440	2.8
57.56100	0.3
58.23315	0.4
58.74952	0.4
61.02930	6.5
69.03428	7.9
70.85542	0.8
71.05023	0.9
73.02908	3.6
81.03496	1.9
81.04539	34.2
82.04865	0.7
84.96028	0.4
85.02907	12.4
87.04463	2.9
90.94802	0.5
91.03941	1.0
91.25819	0.4
95.08622	0.4
97.02902	5.4
98.97584	3.9
99.04462	1.0
105.05478	0.7
109.02891	1.2
110.97598	0.7
113.02380	0.9
116.98626	3.1
119.01831	2.6
119.52244	0.4
122.07151	25.8
123.06555	0.8
124.08671	0.8
127.03912	4.4
128.02333	2.7
128.98607	1.3
131.01826	0.7
134.05971	0.5
134.99663	1.5
137.02808	0.9
140.08186	100.0
141.08549	1.5
143.01976	0.6
145.04973	1.7
146.02287	0.6
146.99602	1.3
152.02261	0.4
152.07053	2.3
158.99673	1.2
160.02106	0.5
161.01241	0.6
161.02818	0.6
162.01785	0.8
164.07072	0.5
165.00720	0.6
169.02628	0.8
170.03371	0.6
170.99695	0.8
173.03117	0.5
174.99136	0.7
175.90648	0.4
177.00711	1.4
177.02260	0.7
182.03418	0.9
183.02348	1.8
184.97606	0.5
189.00677	1.7
191.03970	1.8
192.02820	1.2
193.00203	0.6
200.04414	1.9
201.00656	0.8
202.98627	0.9
204.02733	2.2
205.00294	0.5
206.02638	1.6
206.98141	0.5
207.01776	0.9
209.05002	0.5
213.03424	7.2
215.00392	0.6
215.03151	1.4
219.01767	1.0
220.99704	0.6
222.03922	4.2
222.05774	0.9
224.03673	0.4
224.54201	0.5
230.98123	1.3
237.02809	1.4
247.01195	0.6
263.00754	1.1
264.05048	1.0
273.09052	1.1
294.06042	1.9
302.13467	93.8
303.10474	1.5
303.13776	3.3
305.01752	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93158	0.4
53.03937	0.7
55.01867	1.1
55.05524	0.5
56.96571	2.1
57.03435	3.1
61.02927	5.6
69.03073	0.7
69.03428	8.1
70.06609	0.6
70.14497	1.2
71.04973	1.2
72.08166	0.6
73.02915	4.1
76.09631	0.4
77.83900	0.4
81.03496	2.0
81.04540	37.3
83.04955	0.4
83.45883	0.4
85.02906	13.0
87.04465	2.3
91.03944	0.9
97.02898	5.2
98.05997	0.5
98.97585	4.6
99.04478	1.1
105.05492	0.5
109.02874	1.7
110.01290	1.3
110.97558	0.9
113.02435	0.5
116.98624	3.7
119.01795	2.3
121.78606	0.4
122.07153	27.9
123.06560	0.6
124.08715	0.9
127.03916	3.8
128.02312	3.3
128.98613	1.2
129.07756	0.4
131.01898	0.4
134.06001	0.6
134.99683	1.3
137.02890	2.0
140.08186	100.0
141.08537	1.2
142.96529	0.6
145.04980	1.7
146.02267	0.4
146.99655	1.6
149.01302	0.4
149.02850	0.6
152.07057	1.4
155.02924	0.6
156.01826	0.5
158.99681	1.2
161.01297	0.8
161.02864	1.1
162.01797	1.1
163.02858	0.6
163.04343	0.9
165.00716	0.7
170.99632	0.9
173.02931	0.5
174.99153	0.7
177.00739	1.7
177.02324	0.8
182.03404	0.6
183.02356	2.1
184.97575	0.5
188.96965	0.9
189.00742	2.2
191.03954	1.3
192.02911	1.6
193.00269	0.7
200.04384	2.3
201.00685	0.9
202.98604	0.5
204.02895	1.7
205.00247	0.8
206.02632	0.9
206.98128	0.7
207.05231	0.8
211.01022	0.5
213.03401	7.5
213.05278	0.6
215.03148	0.9
217.00160	0.5
219.01778	1.7
222.03888	3.5
222.05708	0.6
230.98203	1.0
233.54742	1.0
235.01224	0.5
237.02853	1.4
244.99825	0.5
248.99202	0.6
263.00827	1.0
264.04858	0.8
271.90692	0.4
273.09027	0.8
279.03998	0.6
279.51151	0.4
289.46567	0.4
294.05911	1.1
302.13470	92.4
303.10406	0.8
303.13519	3.8
305.01874	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	302.1347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.9
54.03454	1.0
55.01853	2.6
55.05525	2.0
56.05024	0.9
56.96564	30.8
57.03437	5.3
59.76782	0.8
60.04538	0.8
61.02930	7.2
69.03426	14.0
70.03775	0.8
70.06592	5.6
70.83453	2.1
70.83797	0.9
70.98116	1.0
71.01334	1.0
71.04990	2.3
72.08179	3.8
72.93789	1.0
73.02935	5.7
74.02438	0.7
81.03443	4.2
81.04539	36.8
84.04516	2.3
84.08146	4.3
84.96030	1.5
85.02904	25.6
85.06531	1.1
86.03229	1.4
86.09713	5.1
87.04453	3.2
87.09996	0.8
88.99149	1.5
90.94807	1.6
91.03947	1.9
91.05461	0.8
94.06544	1.2
97.02888	11.2
98.97573	12.0
99.04465	2.8
101.02403	0.9
104.01237	0.9
109.02866	2.9
109.04025	0.8
110.01254	1.0
110.07156	0.9
110.97565	2.6
114.05462	0.9
115.00681	0.8
115.03929	1.0
116.07043	1.2
116.98627	8.2
119.01897	5.6
121.03500	0.8
122.06024	14.8
122.07140	26.1
122.08035	1.5
124.07563	1.0
125.01228	0.9
127.01559	0.8
127.03927	5.9
128.02298	1.6
128.98657	4.5
129.10243	1.7
131.00157	2.1
131.01918	2.6
131.03590	1.4
131.97427	0.9
132.04381	0.9
132.10265	1.1
132.95801	1.1
133.01680	1.4
133.03476	2.1
134.06001	5.0
134.99670	6.6
136.06203	5.2
137.02827	1.2
139.05031	1.4
140.02332	1.8
140.03336	1.2
140.05939	2.1
140.07066	23.6
140.08177	100.0
141.04045	1.1
141.08572	1.6
142.07228	1.3
143.01907	0.9
145.03424	1.8
145.04959	1.9
146.99648	6.3
147.03226	1.9
147.04372	1.4
149.02869	2.2
150.01796	1.4
150.96889	1.0
151.02711	1.4
152.05800	1.7
152.07054	9.7
153.00720	0.9
155.02855	1.3
157.02591	1.0
158.99635	1.7
160.06503	2.0
160.97624	0.9
160.98985	1.5
161.01225	1.3
161.02896	2.0
161.04642	3.1
163.02682	1.2
164.07086	2.2
164.98515	0.8
165.00729	3.9
170.05232	12.6
170.06732	2.2
170.55301	1.4
170.99632	1.4
171.05144	0.8
173.01282	1.1
173.02922	1.9
173.12927	1.0
174.99162	8.0
177.00659	4.1
177.04327	6.5
179.05626	1.1
181.55949	1.0
186.05905	1.0
187.00981	0.9
188.97090	1.7
189.00717	3.6
189.04149	1.0
190.03098	1.4
190.98573	1.8
191.03885	1.4
193.00201	19.9
195.05362	2.9
199.00963	1.5
199.03572	1.4
201.04198	1.0
201.50050	0.9
203.02228	1.1
203.04060	0.9
205.00240	1.6
206.06992	1.9
206.98059	1.2
207.01836	2.3
208.06575	1.5
211.01256	2.0
212.55170	0.9
213.03345	1.1
217.01877	1.1
219.01746	3.1
219.05315	1.4
220.02187	1.0
220.57948	1.2
221.05048	2.0
221.06816	1.4
221.08611	8.3
221.58797	1.8
224.08055	3.7
226.07567	1.9
235.02989	1.1
236.57156	1.2
237.02783	5.8
242.03198	1.2
242.07338	3.2
245.01500	1.6
253.07509	1.3
255.03960	1.1
260.99295	1.1
267.00192	1.1
271.08554	1.0
273.09198	3.9
277.03925	1.4
278.97275	1.0
279.00699	1.2
279.03540	1.0
285.09073	1.0
288.98663	1.0
289.04059	1.5
296.97995	1.4
297.06427	2.6
302.13647	81.2
302.61307	2.4
303.10394	6.1
303.13770	4.6
320.15662	2.3
321.08554	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	302.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	3.2
55.05498	8.9
56.05021	3.5
56.96568	6.2
56.98165	2.4
57.03426	7.5
60.04531	5.3
61.02921	6.4
67.05502	13.6
69.03425	16.5
69.07070	9.6
70.06579	10.6
70.87133	7.7
71.04984	5.1
72.08145	18.7
73.02915	7.9
79.05491	10.6
79.99351	2.6
81.03415	9.6
81.07079	16.4
83.04983	6.5
84.04495	5.5
84.08162	12.8
85.02908	100.0
86.09711	44.9
91.05489	8.8
93.07040	9.7
95.04961	10.3
95.08619	11.3
96.04469	3.1
97.02895	55.9
97.06538	6.0
98.97595	5.4
99.04439	6.4
101.05997	3.9
103.03934	6.3
105.07031	7.8
107.04976	2.7
107.08591	8.4
108.08112	10.6
108.08863	2.5
109.02892	14.1
109.06484	3.0
109.10150	3.5
110.06033	2.4
110.10483	2.6
111.04445	3.5
112.07553	4.8
114.05551	3.6
115.04003	3.6
115.08797	2.9
116.98641	4.9
117.17963	2.5
119.08555	5.9
120.08073	3.0
120.08900	2.7
121.10152	6.2
122.06024	11.0
124.07615	3.9
125.05971	7.9
126.05521	6.3
126.09142	3.8
127.03939	24.1
128.07051	3.7
128.34306	2.6
129.10246	5.8
133.10143	5.1
134.06100	2.8
134.99622	4.1
135.07970	2.7
136.07610	19.0
137.06004	2.9
138.05502	11.7
140.07086	46.3
140.08157	2.0
143.11798	7.0
145.04980	14.6
145.10133	4.3
147.11670	5.3
150.09108	5.0
152.07069	22.3
154.08595	6.3
157.07623	3.1
157.10133	5.7
157.13397	6.3
159.11577	3.2
164.07063	25.3
165.07097	3.1
173.02936	4.5
173.13091	2.8
178.08859	15.4
179.08553	5.9
182.08147	95.8
185.12894	5.2
189.00691	3.1
189.12340	3.9
193.12299	3.3
197.09627	7.7
203.10631	5.2
206.08124	41.9
218.08200	5.4
221.09589	9.7
221.11697	6.4
236.09238	3.4
239.10713	14.6
239.12822	7.1
243.10214	10.2
248.09230	10.8
256.13336	7.6
267.78909	2.8
279.70673	3.2
284.11472	3.6
285.10989	13.3
302.12524	27.0
302.21918	10.5
303.05136	4.0
303.14160	20.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1235
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45530	3.6
52.00565	3.4
53.03947	3.3
55.05516	7.2
56.49486	2.6
56.96560	14.6
57.03411	8.4
60.04523	6.8
61.02921	5.2
67.05511	20.2
68.05833	3.1
69.03429	20.0
69.07061	11.1
70.06592	16.6
70.51591	12.7
72.08154	15.4
73.02911	9.4
74.70329	3.1
76.35873	2.8
79.05469	5.1
81.03423	6.4
81.07056	9.0
83.08614	3.5
84.04498	11.6
84.08151	19.4
85.02912	43.7
86.09209	6.8
86.09707	100.0
88.03988	6.6
91.05503	4.8
93.07045	8.7
93.31116	2.9
95.04974	26.3
95.08615	13.8
96.08936	5.7
97.02882	32.3
97.06474	3.6
98.97575	14.6
105.07047	5.0
107.08571	4.5
109.02834	6.9
109.10131	5.4
110.06059	3.8
112.07599	15.3
114.05584	3.6
116.98625	9.9
119.08537	3.3
122.06007	5.4
124.07606	5.7
127.03899	14.2
128.02286	3.8
128.98587	4.7
129.10291	16.7
134.06029	8.4
134.99660	6.0
135.11682	3.4
136.07568	13.5
138.05516	9.6
140.07077	46.1
140.08122	7.0
142.08682	3.4
145.04941	5.4
146.99686	7.3
147.04410	7.9
147.11635	4.0
152.07072	8.0
156.06714	3.1
158.99593	4.8
159.11568	3.5
164.07065	11.5
177.00684	5.3
182.08128	31.4
187.10796	4.9
189.12337	6.1
199.18002	22.5
206.08116	6.7
227.17578	10.5
237.02881	10.1
239.02402	5.8
248.09448	3.5
255.03934	4.2
256.09595	7.4
256.21472	4.5
257.03363	6.3
268.75403	3.7
279.01810	6.1
293.09097	3.9
294.09421	4.0
302.12494	23.1
302.15518	3.7
302.22040	16.7
303.04944	9.0
303.13889	38.8
303.62180	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	302.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45940	1.9
53.03949	4.1
53.36215	1.9
55.05503	8.8
56.96560	4.4
57.03435	8.6
61.02933	4.3
67.05508	13.5
69.03432	16.9
69.07068	6.4
70.06593	10.0
70.71539	5.9
70.71889	2.8
71.04998	2.4
72.08152	23.8
73.02895	4.3
77.34125	2.3
79.05484	9.5
81.03423	8.6
81.07044	14.2
84.04499	4.8
84.08134	6.4
85.02902	92.5
86.06052	3.1
86.09710	15.6
86.46523	2.5
87.04453	4.4
91.05482	27.8
92.05806	2.9
93.07037	8.1
94.06580	4.0
94.07419	2.5
95.04967	7.8
95.08611	10.4
96.08935	4.3
97.02895	49.3
97.06552	2.4
97.49953	2.6
98.97578	6.5
99.04461	2.2
103.03969	5.3
105.07056	5.5
106.07331	2.7
107.08588	9.9
108.08114	13.5
108.08786	2.0
109.02874	11.3
109.06542	5.2
109.10165	2.8
110.06056	2.6
112.07605	2.2
116.98613	7.1
119.08569	3.8
120.08958	2.5
121.02903	3.3
121.10148	3.6
122.06055	11.1
124.07645	3.0
125.05984	7.2
126.05517	8.4
126.09143	6.2
127.03922	21.2
128.98601	2.5
129.10274	2.3
132.10193	2.4
134.06004	2.2
134.99681	5.6
135.11731	2.7
136.07578	19.8
137.06007	3.5
138.05507	8.9
139.07558	2.6
140.07077	53.1
140.08131	2.3
142.08699	2.7
143.11797	8.7
145.04968	16.1
146.99689	3.1
148.07524	2.5
149.05943	3.1
150.06374	2.7
150.09137	6.7
152.07059	15.4
154.08594	5.3
162.05511	9.4
163.06000	2.4
164.07060	24.2
170.99657	2.5
171.11377	6.0
177.00743	3.1
177.05428	2.5
178.05870	3.8
178.08632	15.4
182.08139	100.0
183.08582	4.1
195.09277	2.6
201.16396	2.5
203.13943	2.5
204.91772	2.3
206.08130	47.1
210.90375	2.3
212.10733	2.4
218.08107	5.9
219.01765	2.8
220.82213	2.7
232.14174	2.8
236.09242	4.5
241.09721	18.4
242.10422	4.8
248.09180	8.5
249.02902	2.5
256.09589	4.6
257.12997	2.7
258.16965	3.2
267.11142	2.4
284.11337	4.4
285.09167	5.0
285.12390	10.9
286.10767	2.9
302.12247	10.2
302.22290	12.1
303.05121	5.1
303.10361	4.5
303.13513	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	301.2373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	1.8
55.01860	4.0
55.05509	24.0
56.96560	4.2
57.03433	4.7
57.07075	58.6
67.05507	28.6
69.03409	4.9
69.07066	28.3
71.04979	5.3
71.08353	1.2
71.08638	15.0
71.59711	1.7
78.59070	1.4
79.05492	18.7
81.03429	1.6
81.07056	32.6
83.04983	3.4
83.08611	12.1
85.02901	2.4
85.06538	3.1
91.05488	20.0
93.07043	33.4
95.04955	5.0
95.08604	100.0
96.08945	2.3
97.02910	1.4
97.06522	5.8
97.10168	12.2
98.97558	3.1
99.04452	1.8
99.08093	12.7
99.11739	5.9
99.57227	1.5
105.07030	25.7
107.04959	5.2
107.08598	44.1
109.06529	3.9
109.09460	2.4
109.10156	33.9
110.10553	1.7
111.04417	5.4
111.08081	2.3
111.11732	3.2
112.62988	1.5
116.10744	2.1
116.98610	1.9
117.07022	4.9
119.07792	2.9
119.08584	36.6
121.06495	3.8
121.10143	34.7
123.08043	5.0
123.11719	15.1
125.05998	8.5
125.09646	2.3
127.11241	3.4
129.05542	1.7
129.07005	4.5
131.08557	9.8
133.10126	26.2
135.08043	11.4
135.11694	17.9
137.05971	3.7
137.09613	4.3
137.13240	3.8
141.06998	1.7
142.07726	1.7
143.08563	6.7
145.06479	1.8
145.10124	16.7
147.08005	2.6
147.11673	13.9
149.06042	1.7
149.09650	1.7
149.13246	12.0
151.11127	2.4
151.14825	1.5
153.09067	2.9
157.10138	11.8
159.08066	2.5
159.11681	19.3
161.09599	5.6
161.13245	11.4
163.11174	4.4
163.14824	6.9
164.07079	5.1
165.09140	2.3
167.08536	2.1
169.10136	4.3
169.74594	1.5
170.10867	1.7
171.08119	1.7
171.11655	10.5
173.09615	3.2
173.13277	10.8
175.11201	3.2
175.14792	3.4
177.00708	1.6
177.09081	1.5
177.12762	2.7
177.16487	1.6
179.10681	6.3
181.01291	1.4
182.52269	1.5
183.11693	2.6
185.13298	9.5
187.11192	6.3
187.14833	5.9
189.09068	1.6
189.12720	2.1
191.10669	3.8
193.12268	2.6
197.13173	2.1
199.11240	3.7
199.14838	3.8
201.12793	1.8
201.16380	4.9
203.10538	2.0
203.17957	5.0
205.12260	5.6
209.13351	1.6
213.12723	5.5
213.16383	4.1
215.14259	2.4
217.12238	4.7
219.13837	4.7
219.21091	8.9
227.14378	3.7
227.17917	1.5
229.07437	1.9
229.19524	5.2
231.13805	10.3
233.15369	2.6
237.22122	5.2
239.17924	3.5
239.23683	2.7
241.15874	2.5
241.19493	3.1
241.21632	5.8
245.15329	5.0
247.08456	3.6
247.20621	4.7
248.08815	1.8
255.21121	13.4
259.16873	2.4
259.20615	4.0
260.11740	3.2
260.62015	2.5
265.21683	32.7
269.12256	3.5
273.22092	2.0
283.20258	13.2
301.03546	2.6
301.07074	5.3
301.16196	4.9
301.21616	92.5
302.19522	4.7
302.22192	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	301.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.7
55.05286	1.1
55.05510	10.0
56.96558	1.5
57.03429	2.5
57.07074	100.0
61.02934	1.4
66.04992	1.0
67.05505	14.1
69.07069	10.6
70.75514	2.4
70.75878	2.7
71.04968	4.4
71.08629	2.5
79.05500	9.4
81.07059	14.5
83.04967	2.4
83.08632	7.1
91.05470	5.5
93.07048	13.7
94.19201	1.1
94.76927	1.0
95.04987	1.9
95.08605	27.8
96.66927	1.0
97.02827	1.3
97.06511	3.3
97.10167	7.6
99.08076	2.2
99.11736	9.8
100.99794	1.1
105.07047	9.6
107.04946	1.7
107.08591	11.9
109.06512	2.1
109.10146	12.0
111.08077	1.7
111.11686	5.0
117.06969	1.7
119.08588	9.7
121.09331	1.3
121.10147	18.4
123.08054	7.4
123.11727	3.4
125.09623	1.7
127.11182	5.1
128.06187	1.1
129.05484	1.4
129.06940	1.2
131.08562	4.7
133.06546	1.3
133.10144	6.3
134.99603	1.2
135.11664	5.8
137.09630	1.9
143.08557	2.4
145.10120	4.4
145.12198	2.3
147.08032	1.2
147.11659	3.4
149.09599	1.5
149.13222	4.6
153.09094	1.5
157.10130	1.9
159.11668	3.5
161.09573	1.6
161.13271	2.1
163.11130	3.5
163.14722	2.4
167.14299	2.4
171.11603	1.5
173.09641	1.7
173.13228	3.0
175.14853	1.5
185.13275	1.9
187.11113	1.5
187.14772	1.1
191.10730	1.5
199.06258	1.3
199.14781	2.5
203.14272	3.5
203.17914	1.3
205.12415	1.6
205.19489	3.1
213.12698	2.2
217.12309	1.2
219.21046	7.4
229.07468	4.0
229.14265	1.6
229.19534	2.5
231.13812	1.9
237.22177	7.6
239.23653	2.5
241.19466	2.3
241.21581	9.8
245.15457	1.9
247.08517	3.5
247.20578	2.9
255.21030	2.5
261.85367	1.3
265.21616	32.3
273.14899	1.1
283.20139	1.6
283.22781	4.4
301.03360	1.7
301.07077	1.6
301.13602	1.5
301.16653	1.9
301.18008	1.3
301.21558	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	301.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.7
55.01870	2.3
55.05505	12.8
56.96555	4.3
57.03423	4.5
57.07075	100.0
67.05504	21.7
69.07064	17.6
71.04992	5.3
71.08620	4.6
71.59640	2.2
79.05492	14.0
81.03428	2.9
81.07057	24.1
83.04971	4.4
83.08604	7.5
87.20256	1.5
88.32276	1.3
89.08648	1.6
91.05484	11.5
93.07040	21.2
95.04949	6.2
95.08601	32.9
95.09110	1.2
96.62029	1.5
97.06539	7.1
97.10165	8.7
99.08108	2.1
99.11731	13.5
103.92292	1.6
105.07027	18.6
107.04929	3.5
107.08598	21.8
109.06500	3.2
109.10157	15.7
111.04430	3.9
111.08104	4.1
111.11724	5.8
116.98573	1.9
117.07011	2.5
119.08567	16.4
121.06518	2.8
121.09305	2.8
121.10133	25.1
123.08109	10.0
123.11698	6.6
125.06020	2.4
127.11185	6.6
129.06972	3.5
131.08559	9.2
133.06491	2.3
133.10126	14.2
135.08060	3.1
135.11685	8.8
137.09630	3.1
137.13292	2.5
145.10109	10.5
145.12244	2.9
147.08057	1.8
147.11690	6.3
149.09612	3.3
149.13264	6.7
151.11166	2.0
153.09070	1.8
155.08603	1.7
157.10162	5.4
158.99814	1.5
159.08034	1.9
159.11688	8.2
161.13260	4.1
163.11165	4.4
163.14777	3.5
164.48154	1.7
167.17879	2.0
171.11674	3.7
173.09598	2.2
173.13289	4.8
185.13231	2.5
187.07561	2.1
187.14836	4.1
191.10896	1.7
197.13289	2.2
199.14854	3.0
201.16403	5.5
205.12325	1.8
205.19539	2.5
213.16304	2.3
219.13889	1.8
219.21138	7.9
229.19443	2.4
234.11844	1.6
237.22186	7.0
239.23642	4.7
241.19557	2.0
241.21640	10.4
247.20589	3.8
254.11598	3.1
255.11404	1.8
255.21112	4.3
265.14270	1.9
265.18985	3.0
265.21625	37.6
267.09296	1.7
283.20392	4.5
283.23010	3.1
285.10052	2.6
301.07104	4.6
301.10919	2.4
301.14252	4.7
301.16949	2.6
301.18018	2.7
301.21570	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	301.2162
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
55.05510	9.8
56.12450	2.0
57.07077	7.4
67.05508	21.9
68.05125	1.9
69.03419	3.0
69.07066	13.0
70.06578	3.9
71.04990	4.5
71.08619	3.3
71.31992	4.4
79.05486	14.2
81.07069	22.8
83.04977	4.4
83.08606	4.1
85.06530	3.5
88.07639	5.4
91.05473	24.0
93.07039	25.4
94.24265	2.3
95.04971	8.3
95.08607	26.4
97.06572	7.0
98.21407	2.3
102.09206	2.1
105.07033	44.3
106.08680	2.1
107.04980	2.1
107.08592	41.6
109.06522	32.6
109.10159	26.6
111.08109	5.0
117.07058	11.6
119.08581	55.5
121.06522	7.8
121.10133	25.6
123.08061	5.2
123.11746	4.6
128.06273	3.1
129.07016	6.6
130.07784	3.9
131.08569	47.7
133.06560	2.3
133.10124	30.6
135.08035	27.1
135.08997	3.0
135.11699	9.1
137.09621	3.0
142.07784	3.3
143.08557	19.3
143.77107	2.1
144.09309	4.8
145.10120	47.1
146.07286	3.8
147.08080	4.1
147.11671	15.4
149.09724	2.4
149.13304	6.6
155.08531	2.9
156.09363	3.5
157.10143	11.2
158.10899	10.4
159.08063	5.0
159.11678	12.1
161.09628	59.8
161.13274	5.0
170.10918	2.6
171.11688	9.6
173.09702	3.2
173.13268	100.0
174.13657	4.9
175.11234	2.0
175.14833	8.3
177.12755	2.1
179.08546	3.8
181.10110	4.2
183.11801	3.9
185.09663	3.3
185.13281	6.1
187.14864	5.1
189.12715	3.4
191.14290	27.6
193.10265	2.2
194.10963	2.5
195.11745	3.2
197.13260	4.4
199.14870	9.0
201.12756	4.7
201.16412	5.7
209.13295	11.7
213.16322	3.0
217.15907	2.0
223.14919	6.8
225.16235	2.6
227.14330	5.5
232.03534	2.1
233.97438	1.8
237.16435	2.9
255.21152	2.8
265.19495	9.8
283.20660	9.6
284.29568	3.4
301.21619	25.7
302.30524	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
52.97876	0.8
53.33526	0.7
55.01870	1.8
55.05504	4.9
57.03433	1.6
57.07082	7.9
58.06604	1.1
67.05503	6.1
69.03424	1.0
69.07066	3.7
70.06595	9.0
71.08630	2.7
77.67326	0.8
79.05500	3.1
79.09119	0.8
81.03463	0.9
81.07070	8.5
83.05001	1.3
83.08614	2.2
83.64367	0.9
85.06567	1.0
85.10182	1.3
86.06035	1.9
88.07632	15.2
91.05484	12.2
93.07048	8.1
95.04971	3.2
95.08604	19.2
97.06532	1.1
97.10161	2.0
100.07607	1.9
102.09205	2.3
105.07044	7.6
106.08678	5.7
107.04936	1.2
107.08598	10.4
109.06559	1.4
109.10152	8.7
110.10493	1.0
111.04472	1.4
111.08089	2.4
115.05492	1.3
117.07011	1.8
119.08594	11.3
121.06480	2.3
121.10148	6.8
123.08083	1.0
123.11721	3.9
125.06062	1.2
129.07022	1.8
131.08580	5.5
133.10114	7.3
134.99611	0.9
135.08064	2.0
135.11681	3.6
136.77991	1.0
143.08597	2.3
145.10138	5.5
147.08047	2.6
147.11702	4.0
149.09622	1.2
149.13301	2.5
157.10098	2.4
158.07213	1.0
159.11688	4.8
161.09608	2.3
161.13319	2.5
163.11182	1.1
163.14851	1.3
169.10214	1.0
171.11705	2.9
173.13315	5.0
175.11119	1.0
175.14830	2.6
179.10649	1.0
183.11710	1.2
185.13284	2.3
187.11194	1.7
187.14847	3.0
191.10599	1.1
191.14265	2.3
195.11684	1.1
199.11302	1.1
199.14809	1.5
201.12868	1.2
201.16441	1.9
203.10777	1.0
203.17992	1.6
205.12250	1.8
209.13382	1.2
213.12706	1.1
227.14320	1.0
231.13853	2.6
239.18022	1.1
241.19557	1.4
245.15428	1.5
246.11464	0.9
255.21152	2.9
271.20651	5.7
283.20578	4.5
283.28351	7.2
284.29520	5.5
301.03568	1.2
301.07083	1.7
301.16486	1.2
301.21634	23.3
301.29349	3.5
302.30545	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	301.2164
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
54.37965	5.0
54.56384	4.4
55.01865	9.5
55.05512	22.6
57.03430	16.3
62.32093	4.0
62.85331	4.3
64.02674	4.2
65.18298	5.0
67.05508	27.2
69.07069	14.8
69.42165	6.5
69.42525	49.1
79.05492	19.8
81.07058	28.4
82.26030	4.4
83.05007	8.3
83.08617	12.1
91.05447	22.7
93.07032	28.3
95.04958	6.3
95.08607	100.0
97.06532	8.6
97.10165	9.0
98.46054	4.9
105.07030	26.3
106.81956	5.0
107.04964	7.0
107.08607	39.9
109.10156	26.4
117.07049	5.5
119.08605	34.1
121.10166	26.9
123.11706	7.1
129.05516	22.5
131.08585	15.8
133.10132	19.3
135.11699	25.7
143.08513	8.8
145.10124	18.3
147.11711	18.9
149.13243	10.4
157.08669	9.1
157.10220	8.8
159.11691	20.3
161.13263	8.5
169.10181	5.6
171.11649	8.0
173.09743	5.0
173.13356	9.2
179.10782	5.0
185.13292	7.4
186.24281	4.8
187.11217	6.7
187.14746	6.8
199.14832	9.9
201.16321	10.4
203.18015	6.5
205.12291	6.0
217.12216	6.0
219.13603	4.9
227.12697	7.1
231.13850	18.3
241.19621	6.5
245.15450	10.9
283.20667	12.9
286.04568	6.7
301.07047	8.7
301.16693	32.2
301.21619	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2161
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.01862	2.5
55.05510	12.6
57.03431	2.5
57.07073	4.0
61.45354	1.7
61.59880	2.0
67.05227	2.2
67.05511	20.3
69.07055	9.0
70.06580	4.8
71.08688	1.9
71.60435	2.0
79.05497	12.1
81.07067	19.8
83.04974	2.8
83.08610	6.3
85.02907	2.3
88.07613	3.7
91.05501	11.0
93.07074	12.4
95.04971	5.1
95.08607	56.7
96.08978	2.5
97.06503	4.2
97.10154	5.8
105.07031	19.0
106.08633	3.1
107.04928	3.6
107.08581	18.8
109.06500	3.5
109.10178	18.3
111.04397	3.7
117.06976	5.8
119.08567	23.3
121.10140	16.0
123.11713	10.3
125.05997	5.6
130.69661	2.0
131.08560	8.6
133.10110	16.0
135.08049	4.7
135.11679	11.4
137.06032	2.4
143.08549	4.1
144.09282	2.1
145.10167	14.7
147.11734	14.3
149.13275	5.8
155.08591	2.3
157.10117	8.5
159.08000	3.9
159.11697	12.8
161.09628	3.8
161.13234	4.3
161.23416	2.0
163.07503	2.6
163.11191	3.6
163.14783	2.5
165.09070	3.0
169.10188	2.9
171.11678	7.2
173.09647	4.8
173.11926	2.5
173.13266	11.1
175.11227	4.1
175.14755	2.3
177.09053	2.3
183.11647	3.0
185.13266	6.6
187.11223	4.0
187.14830	6.4
191.10605	2.5
199.14848	7.7
201.12799	4.4
201.16473	4.0
203.14380	2.5
203.17891	2.0
205.12244	3.4
213.12732	4.0
217.12189	2.0
219.13910	2.3
227.14296	5.4
229.07532	5.1
231.13756	3.6
241.19421	2.6
247.08556	6.7
247.16983	3.7
255.21144	6.8
265.19678	4.5
283.20566	40.3
284.29535	2.9
301.03680	3.8
301.06863	4.3
301.16318	7.4
301.21619	100.0
302.21967	2.1
302.30551	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	301.2162
Annotation	SCHEMBL18714031
Peak:m/z	Relative Intensity
55.05515	18.4
57.07080	5.8
59.83647	3.1
66.35111	2.8
67.05502	22.7
69.07056	11.9
70.76122	9.0
73.89520	3.0
79.05475	10.1
81.07056	23.9
83.04999	3.2
83.08609	6.4
91.05497	16.0
91.30900	2.9
93.07047	32.2
95.08606	100.0
97.10146	4.2
105.07014	22.0
107.08591	34.3
109.10162	20.4
111.04449	5.1
117.07031	5.3
119.06167	3.5
119.08589	32.8
121.10154	25.9
123.11716	12.3
125.05961	10.0
131.08588	6.3
133.10164	25.9
135.11685	16.9
137.05992	3.9
143.08542	6.1
145.10149	15.5
147.11679	16.1
149.13206	10.9
157.10100	7.3
159.11694	18.2
161.09578	5.8
161.13249	13.1
163.14906	4.1
169.10147	3.0
171.11722	8.4
173.09676	3.7
173.13252	10.1
179.10638	4.4
185.09607	4.0
185.13264	10.1
187.11098	7.1
187.14854	7.4
191.10590	4.1
199.14767	7.7
201.12781	5.2
201.16429	8.7
203.17896	4.8
205.12233	8.8
211.14850	3.2
213.12711	5.9
217.12233	7.0
219.13828	6.0
227.14299	4.3
231.13727	12.0
239.18103	3.4
245.15363	5.2
255.21077	12.4
273.69958	3.5
274.49228	3.4
283.20554	12.7
298.28021	3.3
301.06863	7.3
301.21606	86.1
302.21957	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29083	1.6
52.54083	1.8
53.03941	6.2
55.01870	14.6
55.05509	23.3
56.96561	5.4
57.03438	31.8
57.07066	4.1
65.03945	3.0
67.05507	72.3
69.03414	4.2
69.07078	20.0
69.66288	12.4
70.06581	3.3
71.01352	3.7
71.05000	7.3
71.08614	1.8
72.08137	2.1
73.02921	2.8
77.65115	1.8
79.05491	69.3
80.05840	1.6
81.03413	10.1
81.07057	55.9
81.07525	3.8
83.04986	27.8
83.08616	12.7
84.96046	2.0
85.02897	10.1
85.06531	8.5
86.06081	1.8
86.09710	21.3
91.05482	36.4
93.03386	2.4
93.07047	65.8
95.04978	21.6
95.08603	48.4
97.02897	2.5
97.06528	20.8
97.10180	5.5
98.97575	10.8
99.04456	8.8
99.08110	2.9
103.05506	2.7
105.07050	22.5
107.04951	40.6
107.08592	36.3
109.06534	7.4
109.10160	16.0
110.97621	2.1
111.04453	39.2
111.08071	9.8
112.07581	1.6
113.05999	3.4
115.05444	2.1
116.98625	6.2
117.07027	17.8
119.04993	2.5
119.08578	29.6
121.06525	10.1
121.10150	59.4
121.11034	3.8
123.04427	4.4
123.08081	7.3
123.11684	2.1
125.06001	6.2
125.09623	5.1
127.03962	2.2
128.06207	1.8
128.98604	3.1
129.05495	2.9
129.07002	7.5
130.07808	3.1
131.04900	2.6
131.08556	20.5
133.10127	12.0
133.64835	2.0
134.99673	6.0
135.04385	4.4
135.08057	5.0
135.11707	47.7
136.07506	2.8
137.05959	5.2
137.09613	2.9
139.00253	5.4
139.11151	4.8
143.08566	6.5
143.11774	11.5
144.08104	3.0
145.06491	10.0
145.10129	55.3
146.99660	5.1
147.08057	5.6
147.11702	8.3
149.09619	10.7
149.13361	3.1
151.11211	4.2
153.12720	13.2
155.07399	2.0
155.08514	10.9
157.06210	2.3
157.10176	7.7
158.99699	2.3
159.10321	2.2
159.11725	6.3
161.01248	2.3
161.09608	3.8
163.11188	67.3
165.09077	3.9
171.11537	6.7
173.09608	35.2
173.13243	4.2
175.11113	3.9
177.00743	5.5
181.12215	27.9
183.11664	2.1
185.09581	2.5
185.13260	2.7
187.14949	3.3
188.19621	1.9
191.10686	37.0
200.02229	2.0
201.12682	2.6
201.16510	2.6
203.10709	2.7
208.16786	2.0
209.11702	26.5
219.01740	2.5
227.12769	26.5
237.02841	6.9
245.13783	3.4
255.11305	4.0
265.14258	3.7
273.03940	8.4
283.07843	3.4
283.15460	16.5
283.20624	5.0
286.04791	2.5
301.03394	14.3
301.06845	3.5
301.11804	9.1
301.16479	100.0
301.21567	29.3
301.25250	4.0
302.04184	2.9
319.10654	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	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04721	1.9
52.19763	1.9
53.03938	4.4
54.07459	1.9
55.01873	34.6
55.05256	3.6
55.05509	40.5
56.41015	2.1
57.03438	56.1
57.07067	3.7
61.02930	2.8
61.13993	2.1
65.03922	3.8
67.05505	44.2
69.03436	12.3
69.07066	21.8
69.50916	8.0
69.51350	9.7
71.04980	6.3
72.08128	2.6
73.02921	17.1
78.77979	1.9
79.05493	46.4
81.03424	12.7
81.07059	48.5
82.04179	6.1
83.04987	26.1
83.08617	18.4
85.02895	6.1
85.06535	4.7
86.06064	14.0
86.09691	3.0
87.04464	3.6
91.05476	31.0
93.07050	44.1
95.04430	2.7
95.04976	23.2
95.08614	56.6
97.02893	6.9
97.06529	14.1
97.10159	19.4
98.07302	12.7
99.04446	2.8
101.06015	3.2
105.07028	27.1
107.04965	10.6
107.08595	41.7
109.02863	2.2
109.06506	8.5
109.10158	23.2
111.04451	15.4
111.08080	9.0
113.06035	2.8
115.05455	2.4
116.04707	42.1
117.07038	10.5
119.08589	36.5
121.06483	4.9
121.10143	25.9
123.08083	9.0
123.11719	5.3
125.05981	7.2
125.09613	18.2
129.05481	100.0
129.07010	6.2
130.07787	2.2
131.08572	16.6
133.10144	26.9
135.04469	3.5
135.08067	12.4
135.11688	28.9
136.07588	16.9
136.08618	2.8
137.05966	5.4
137.09601	3.6
139.11157	3.0
143.07018	23.4
143.08537	7.6
144.09431	2.0
145.06479	2.9
145.10155	20.4
147.08078	4.8
147.11684	11.6
149.05945	3.7
149.09627	8.5
149.13283	4.9
150.09163	5.8
151.11172	2.1
153.09065	3.9
153.12779	2.5
157.08604	40.7
157.10101	13.3
159.07997	3.2
159.11708	9.7
161.09615	7.3
161.13245	3.8
163.11191	24.0
163.14955	2.2
164.07076	9.5
165.07039	2.3
165.12730	2.8
167.10709	2.4
169.10109	3.2
171.10150	12.2
171.11659	6.6
173.09605	3.8
173.13306	5.8
175.11157	8.0
175.14781	3.1
178.04926	2.7
179.10709	3.9
181.12267	7.2
185.09708	2.9
185.11688	4.5
185.13118	5.2
187.11189	2.8
187.14839	5.5
189.05487	2.9
189.11232	27.8
189.12772	4.2
191.10669	8.2
193.12305	5.9
199.13303	6.9
199.14931	3.0
200.14114	12.8
201.16391	3.8
203.17944	2.5
205.12257	5.8
209.11700	14.1
210.12506	3.4
212.67416	2.7
219.13943	2.2
227.07147	3.0
227.12787	49.2
231.13789	6.2
237.02756	3.1
241.19427	3.4
255.11359	4.7
255.21138	5.5
258.05264	5.3
259.10760	5.1
269.07928	3.0
273.03970	3.7
273.12427	3.3
273.15887	3.0
283.10818	7.3
283.15408	24.9
283.20514	8.0
286.04688	8.3
301.03430	6.9
301.07013	19.3
301.11914	14.1
301.16422	93.4
301.21600	53.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.5
55.01870	14.3
55.05512	24.1
56.96578	10.3
57.03432	27.9
57.07072	4.0
65.03944	3.7
67.05504	66.1
68.92516	1.7
68.99793	4.1
69.03425	5.4
69.07068	23.1
70.06599	4.7
70.93830	3.2
70.94144	2.1
71.01352	2.4
71.04987	9.8
71.26539	1.7
73.02914	2.6
79.05488	62.7
81.03410	10.4
81.07056	57.9
83.04978	25.7
83.08633	12.1
84.96008	3.3
85.02897	8.0
85.06538	10.5
86.09694	15.0
87.04476	2.3
91.05477	37.9
93.07043	66.6
95.04964	23.5
95.08604	66.3
97.02907	6.2
97.06528	16.7
97.10174	5.6
98.09677	2.7
98.97602	16.8
99.04449	8.1
100.88676	1.8
101.02411	2.6
103.03896	2.2
105.07023	27.8
107.04950	41.7
107.05631	3.6
107.08592	47.9
109.06490	9.7
109.10158	22.5
111.04445	33.0
111.08070	9.1
113.05984	2.6
114.48463	1.7
116.98632	18.4
117.07023	15.8
119.08577	37.9
119.09364	3.5
120.73995	1.8
121.06522	8.0
121.10145	63.4
123.04451	4.7
123.08057	6.6
123.11712	8.7
125.06036	9.5
125.09652	5.3
128.06314	3.0
128.98590	6.6
129.05475	2.4
129.07021	5.2
130.07797	4.7
131.04874	4.6
131.08569	23.8
133.06506	3.0
133.10135	20.1
134.99683	9.1
135.04366	2.9
135.08046	6.6
135.11691	42.8
137.05968	7.4
137.09561	3.7
137.13315	2.7
139.00235	4.2
139.11208	4.0
143.08589	4.8
143.11815	7.9
145.06488	8.4
145.10123	52.2
146.99620	10.2
147.08043	6.6
147.11688	9.9
149.05959	2.7
149.09645	10.8
149.13263	4.9
151.07520	2.2
153.12758	14.4
155.08540	11.7
157.10107	6.1
158.99744	4.6
159.11688	12.0
161.01224	2.7
161.09616	5.3
161.13309	5.8
163.11186	64.0
165.09137	4.2
169.10091	2.3
171.11597	6.1
172.47473	1.9
172.64511	2.1
173.09639	33.1
173.13277	5.7
175.11185	3.5
177.00711	10.4
179.10677	3.0
181.12221	24.3
185.13277	5.1
187.11253	5.6
187.14793	3.5
189.00644	2.1
191.10646	35.8
191.12321	2.8
199.11148	2.5
199.14876	4.9
201.12605	2.8
201.16380	5.0
203.10643	3.2
203.17926	2.4
205.12337	3.6
209.11736	22.3
219.01784	4.6
219.13876	4.9
227.12782	26.6
231.13805	6.2
237.02704	14.7
241.19557	2.9
242.07993	3.1
245.13562	2.9
255.11389	5.6
255.21129	8.5
257.18512	2.6
259.10846	2.3
265.14456	3.3
273.03961	8.3
283.10898	2.7
283.15472	21.2
283.20572	8.2
286.04837	2.6
301.03448	13.6
301.06931	5.0
301.11685	9.0
301.16464	100.0
301.21622	50.9
301.25180	2.3
302.04062	3.5
302.16846	3.9
319.10574	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	301.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36011	2.0
52.60231	2.0
53.03944	3.6
55.01870	33.3
55.05509	44.8
56.96581	3.1
57.03439	54.9
57.07078	3.2
59.05010	2.8
60.60350	2.0
61.02932	3.3
65.03949	3.3
67.05504	47.1
68.99796	2.5
69.03423	10.2
69.07068	21.1
70.04208	2.7
70.06589	2.8
71.01350	2.4
71.04987	6.5
71.12340	4.7
73.02920	14.3
79.05494	43.0
81.03429	12.2
81.07053	42.3
82.04215	7.1
83.04987	29.1
83.08620	17.7
85.02907	5.0
85.06551	5.0
86.06068	17.6
86.09708	5.6
89.65504	2.3
91.05486	25.7
93.07042	44.6
95.04960	19.9
95.08607	35.4
97.02911	6.9
97.06535	16.2
97.10177	26.1
98.07300	11.8
98.57920	2.0
99.04453	4.6
99.08115	2.2
101.06018	2.3
105.07036	18.7
107.04959	11.6
107.08600	33.3
109.02874	3.6
109.06528	8.6
109.10155	15.7
110.07293	2.6
111.04453	8.3
111.08085	7.5
113.05975	3.1
115.05466	2.5
116.04718	41.4
117.06968	10.1
119.08576	24.1
120.04443	2.4
121.06528	8.0
121.10133	23.0
123.08083	12.2
123.11720	4.3
124.07563	2.4
125.09615	21.1
129.05478	100.0
129.07037	5.5
131.04993	2.3
131.08615	13.1
133.06479	2.3
133.10132	21.1
135.08095	6.4
135.11667	16.2
136.07574	16.2
137.09602	3.7
139.07597	4.2
139.11195	3.6
143.07013	18.1
143.08569	6.5
145.10139	16.9
147.08089	3.5
147.11642	12.9
149.09665	8.1
149.13303	4.6
150.09161	8.2
153.09108	4.4
153.12775	3.5
155.08611	3.5
157.08640	34.5
157.10139	14.0
159.11681	5.8
161.09659	4.6
161.13277	3.7
163.11169	24.0
164.07109	6.7
165.12775	4.3
169.10216	2.9
171.10213	15.8
171.11638	4.9
173.09680	5.9
173.13304	4.0
175.11159	4.4
175.14851	3.0
178.05009	3.1
179.10678	2.4
181.12244	10.0
185.11792	3.7
187.14717	2.6
189.11237	28.6
191.10727	8.2
191.33629	2.5
193.12227	6.4
195.11725	2.8
199.13377	7.7
200.14111	10.1
209.11687	14.5
210.12512	3.1
212.09573	2.1
227.12807	44.6
255.11423	5.9
255.21141	3.0
258.05389	6.4
259.10962	6.1
269.08035	2.4
273.04062	5.0
273.12448	2.9
283.10791	5.5
283.15469	24.1
283.20621	6.9
286.04901	7.5
301.03503	6.6
301.07144	15.1
301.11618	14.5
301.16537	85.9
301.21548	31.4
301.25369	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0707
Annotation	Chrysoeriol
Peak:m/z	Relative Intensity
51.28605	0.2
55.01865	0.3
55.05510	1.6
57.03425	0.9
57.07061	0.5
64.01163	0.2
67.05508	2.8
69.03421	0.7
69.07062	1.5
71.04991	0.3
73.35219	0.2
79.05497	1.8
81.03415	0.4
81.07057	3.0
83.04970	0.7
83.08617	0.5
85.02907	0.3
86.06051	0.3
86.09737	0.5
91.05483	1.6
93.07050	3.1
95.04962	0.9
95.08603	5.7
97.02891	0.3
97.06541	1.9
97.10177	0.4
99.08119	0.4
101.06010	0.2
105.07024	2.7
107.04940	0.5
107.08602	3.1
109.06504	0.5
109.10161	2.0
111.04439	0.5
111.08074	0.4
116.98637	0.2
117.07030	0.7
119.04980	0.3
119.08585	3.0
121.06493	0.3
121.10143	2.1
123.08061	0.3
123.11689	0.6
125.06039	0.3
125.09593	0.6
129.05472	0.6
129.07025	0.5
130.07823	0.2
131.08578	1.3
133.06509	0.5
133.10126	2.0
135.08029	0.6
135.11647	1.2
137.05988	0.5
137.09676	0.4
137.13258	0.3
139.11182	0.4
143.08553	0.6
145.10114	2.1
147.08096	0.2
147.11678	1.7
149.06041	0.3
149.09628	0.8
149.13246	0.6
153.01839	0.7
156.09315	0.3
157.08650	0.2
157.10114	1.0
159.11676	1.8
161.09668	0.5
161.13255	0.8
163.11154	0.5
163.14729	0.2
165.09152	0.3
167.53571	0.2
171.11690	0.9
173.11855	0.2
173.13275	1.1
175.07559	0.3
175.11198	0.4
175.14854	0.3
176.04672	0.2
177.12860	0.2
179.10674	0.5
185.13274	0.7
187.07558	0.3
187.11211	0.6
187.14825	0.6
189.09071	0.3
189.12798	0.2
191.10712	0.4
199.11250	0.3
199.14886	0.6
201.09210	0.5
201.16440	0.9
203.17978	0.5
205.08643	0.6
205.12282	0.6
213.12650	0.3
213.16406	0.4
219.13840	0.3
227.12721	0.3
229.04936	1.6
229.07288	0.5
231.13797	0.8
239.17953	0.3
241.15971	0.3
241.19449	0.4
247.08551	0.6
255.21083	0.7
257.04599	0.4
258.05249	34.1
259.05579	1.2
264.26987	0.2
265.27301	0.4
269.04449	0.2
282.27957	0.4
283.17517	0.3
283.20563	1.4
283.28281	0.6
286.04724	48.7
287.05042	1.5
300.28958	1.0
301.07068	100.0
301.21588	8.0
301.28928	1.2
302.07404	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	300.29
Annotation	Sphingosine
Peak:m/z	Relative Intensity
53.03941	0.6
55.05518	5.2
56.05028	0.9
56.05821	0.4
56.96572	0.3
57.03432	1.0
57.07066	0.8
58.06610	1.7
65.03949	0.4
67.05177	0.5
67.05510	8.5
68.05830	0.6
69.00619	0.3
69.03426	0.8
69.07073	5.7
69.42552	3.0
70.06599	13.4
71.04975	0.7
71.63033	0.3
74.98599	0.3
79.05494	2.3
79.19901	0.3
81.03413	0.4
81.07066	9.3
82.06565	0.8
82.07390	0.8
83.04960	1.0
83.08624	3.7
84.08129	1.2
85.02888	0.5
85.06546	0.5
86.95249	0.3
91.05498	1.6
92.05843	0.4
93.07037	3.5
95.04982	1.0
95.08617	10.2
96.08147	1.1
96.08941	1.0
97.02884	0.4
97.06519	1.1
97.10197	2.3
98.09703	1.7
98.10406	0.3
98.97572	0.3
105.07041	1.8
107.04981	0.7
107.08587	2.5
109.06525	0.5
109.10171	3.7
110.10525	0.4
111.04436	1.2
111.08089	0.9
117.07018	0.6
119.08580	2.1
120.08927	1.1
121.06528	0.5
121.10167	2.2
123.11721	1.1
125.09644	0.5
129.50728	0.3
131.08591	1.2
133.10123	1.1
135.11717	1.8
137.09630	0.6
137.13361	0.4
143.08572	0.8
145.10184	1.7
147.04404	0.4
147.11690	0.8
149.09547	0.5
149.13254	0.8
151.11168	0.5
152.82587	0.3
153.12720	0.5
157.10167	0.6
159.11702	1.1
161.13275	0.3
163.11189	0.7
169.10088	0.6
170.52621	0.3
171.11676	0.8
173.09668	0.8
173.13243	0.7
175.11252	0.3
181.12169	0.5
182.19055	0.7
185.13303	0.6
186.13672	0.4
191.10696	0.7
198.13635	0.4
201.16418	0.3
214.84074	0.3
227.12773	1.3
231.13896	0.5
237.02806	0.4
255.11214	0.4
258.05292	0.8
259.10901	0.9
264.20795	0.7
264.26877	20.5
265.27271	1.1
282.24609	1.3
282.27930	38.8
283.14917	0.4
283.20242	0.5
283.28247	1.5
286.04776	0.9
300.28983	100.0
301.07086	2.1
301.11337	1.3
301.16336	0.5
301.21619	5.0
301.29254	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	300.2898
Annotation	Sphingosine
Peak:m/z	Relative Intensity
50.55654	0.2
53.03960	0.3
55.05269	0.4
55.05509	5.2
55.72456	0.3
56.05022	0.6
56.96545	0.6
57.03426	0.6
57.07058	0.4
57.50394	0.2
58.06589	1.7
58.59309	0.3
67.05178	0.4
67.05503	6.7
68.73187	0.2
69.06730	0.4
69.07067	5.5
70.06591	11.9
70.06994	0.7
70.07422	0.9
71.04993	0.6
74.06049	0.3
79.05498	2.3
81.03375	0.4
81.07053	7.3
81.50413	0.3
82.06554	0.7
82.07372	0.3
83.04957	0.4
83.08617	2.3
84.08111	0.8
85.02898	0.4
87.01601	0.3
88.23002	0.2
91.05460	1.2
93.07042	3.2
95.04930	0.3
95.08605	9.2
96.08126	1.7
96.08872	0.3
97.06491	0.6
97.08922	0.4
97.10131	0.7
98.09700	1.7
98.20795	0.4
98.97547	0.5
105.07041	1.5
107.04920	0.3
107.08610	2.1
109.10144	3.9
115.05462	0.3
116.98535	0.3
117.06988	0.4
119.08572	1.4
120.09000	0.3
121.10148	1.9
123.08055	0.3
123.11692	0.9
124.11996	0.4
125.09624	0.4
131.08560	0.7
133.10182	1.3
134.99637	0.3
135.08005	0.5
135.11658	0.9
138.12740	0.3
141.06918	0.3
143.08473	0.4
145.10095	0.8
147.11676	0.9
148.11987	0.4
149.13280	0.4
157.10091	0.7
159.11685	0.7
171.11639	0.4
173.13226	0.5
175.14804	0.4
182.18993	0.6
189.28592	0.3
210.67763	0.3
214.73373	0.3
228.30299	0.3
260.27383	0.3
264.26859	22.2
265.27081	0.7
279.11588	0.4
282.27905	38.4
283.20633	0.5
283.28220	1.2
300.28955	100.0
301.07031	0.6
301.10828	0.4
301.14334	0.8
301.21600	3.1
301.29297	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	300.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77146	0.3
55.05513	4.9
56.05020	0.7
56.96548	0.4
57.03418	0.9
57.07061	0.5
57.19054	0.2
57.27985	0.2
58.06599	1.5
64.83413	0.2
67.05507	6.0
69.06729	0.4
69.07072	4.9
70.06594	13.6
70.32504	0.2
71.04966	0.2
71.08607	0.4
71.18509	0.6
74.06065	0.2
79.05501	1.5
80.57841	0.2
81.06591	0.3
81.07061	6.4
82.06554	0.7
83.08626	2.7
84.08144	0.6
84.60119	0.2
86.06071	0.4
91.05470	0.5
93.07036	1.7
95.04970	0.3
95.08616	7.7
96.08132	1.2
97.06548	0.2
97.08914	0.2
97.10146	0.9
98.09702	1.5
104.18690	0.2
105.06988	0.7
107.08601	1.6
109.10172	3.2
109.25214	0.2
110.09622	0.4
119.08522	0.5
120.07975	0.2
121.10146	1.1
123.11693	0.5
133.10062	0.5
135.11710	0.6
138.12831	0.3
145.10101	0.3
147.11676	0.4
149.13365	0.2
157.10138	0.3
157.45607	0.2
159.11652	0.3
173.13187	0.2
182.19121	0.5
201.16531	0.3
237.51730	0.2
264.26877	19.4
265.27148	1.2
269.63657	0.4
282.27927	42.9
283.28198	2.0
300.28983	100.0
300.63632	0.3
300.94095	0.3
301.14322	0.9
301.21725	1.3
301.29318	5.8
321.22205	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	300.1554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63630	0.9
55.05509	1.8
56.04977	0.9
56.96562	1.7
58.82347	0.9
64.19468	0.9
67.05492	1.7
69.03422	1.0
69.07082	1.5
70.06590	99.3
70.49461	2.9
71.06902	1.0
74.04298	1.1
74.61133	0.9
81.07042	1.5
84.04524	1.2
85.02892	2.7
89.91907	0.9
91.05485	1.7
93.07021	2.1
95.04976	1.2
95.08611	3.3
97.02878	2.2
97.72635	1.0
105.07040	2.2
107.08593	2.0
109.10179	1.2
111.04453	2.3
112.07600	100.0
113.07934	1.0
119.08572	3.8
133.10068	1.3
138.05482	2.0
139.08621	2.4
140.07062	60.4
141.07382	1.2
143.08202	2.0
144.06514	1.4
147.11629	1.3
157.09749	5.9
159.11673	1.6
161.09261	2.7
237.10873	1.4
240.13501	1.6
255.21039	1.0
268.12878	2.1
276.80548	1.1
283.12827	1.0
300.06119	2.3
300.15497	3.1
300.20462	4.0
301.12372	7.6
301.21689	2.3
318.96045	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	299.2005
Annotation	Vitamin A2 acid
Peak:m/z	Relative Intensity
50.84222	1.2
55.05506	8.4
56.96556	3.5
57.03415	1.6
57.07048	2.6
65.03916	1.5
67.05511	7.2
69.03404	1.7
69.07058	5.6
71.04998	1.6
71.08648	1.4
79.05492	7.8
81.07050	9.1
83.04974	3.8
83.08621	5.9
91.05476	29.5
93.07024	12.1
95.04955	3.5
95.08614	10.5
97.06528	4.0
97.10147	2.4
98.97574	1.8
105.07024	16.6
107.04947	2.6
107.08593	10.7
109.06501	2.0
109.10150	5.6
111.08124	1.4
115.05440	2.8
116.06221	4.9
117.06989	2.6
119.04920	5.3
119.08575	19.5
121.06487	1.7
121.10147	7.9
123.08029	2.3
123.11754	1.6
125.09617	2.4
129.06987	8.9
131.08566	42.9
133.06462	1.8
133.10135	7.6
135.07996	2.0
135.11674	6.2
141.07036	1.5
142.07748	2.6
143.08542	5.4
145.10133	7.0
147.04408	4.8
147.11688	4.3
149.09633	5.6
155.08536	2.8
157.10141	6.4
159.08052	100.0
159.11679	5.1
161.09630	3.9
161.13213	3.2
167.08545	1.4
169.10109	3.2
170.10863	1.2
171.11716	5.5
173.09628	1.9
173.13239	2.6
174.33734	1.1
175.11143	1.4
183.08116	2.0
183.11656	4.2
184.03557	1.5
185.09682	1.5
185.13275	2.0
189.12709	2.4
197.13228	6.4
199.11160	6.5
199.14812	1.9
201.12721	1.5
207.11642	1.7
210.03252	1.4
211.07602	2.3
211.11275	2.2
211.14857	2.0
213.12802	1.3
221.13130	1.5
223.14803	2.8
225.12744	4.1
239.06955	1.8
239.14374	2.0
239.17990	2.0
243.10184	1.7
243.13846	2.2
253.19551	4.1
256.07303	5.3
257.19012	1.6
263.18069	3.9
267.09079	1.5
267.16025	1.4
281.19022	26.9
284.06699	9.4
299.09146	51.0
299.20023	49.0
300.09497	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	299.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	10.9
53.03929	3.7
55.01858	5.3
55.05270	2.1
55.05511	32.0
57.03436	24.1
57.07055	2.2
57.48363	1.2
59.04982	5.3
65.03924	1.5
67.05164	1.9
67.05507	22.2
69.03398	2.6
69.07048	5.8
69.35326	12.6
69.35745	3.1
70.48932	1.3
71.01347	3.1
71.04975	3.5
74.59094	1.3
75.95213	1.2
76.78417	1.3
79.05491	15.3
81.03413	7.6
81.07057	32.2
83.04962	4.6
83.08625	24.9
85.06557	1.8
91.05477	33.7
91.27695	1.8
93.07040	26.9
95.04961	9.6
95.08607	9.3
95.15612	1.2
97.02875	7.5
97.06521	4.6
97.10148	2.8
99.00809	47.7
99.04441	1.6
105.07033	30.0
107.04925	8.6
107.08581	14.1
109.02873	18.2
109.06490	3.7
109.10152	11.0
111.04430	2.4
111.08079	6.2
115.03934	6.3
117.07003	4.5
119.04902	2.0
119.07795	1.9
119.08573	19.2
121.02826	1.9
121.06506	13.4
121.10174	1.9
123.08056	2.9
123.11686	5.8
127.03886	7.1
128.06204	2.8
129.06979	1.8
131.08501	2.3
133.06445	2.5
133.10130	69.5
135.08084	3.2
135.11731	4.3
137.05960	2.3
137.09593	2.4
139.07530	5.7
143.08554	6.5
145.06404	1.6
145.10120	3.4
147.04367	3.3
147.07977	2.5
151.11183	23.2
159.11745	1.7
161.09610	33.1
165.09148	1.4
171.08043	7.9
179.10661	25.6
189.09109	25.0
197.11630	9.7
207.10104	9.9
211.14738	1.4
225.11218	40.4
227.67538	1.5
243.12262	7.3
253.19516	1.6
299.14877	100.0
299.19678	6.8
300.15161	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	298.2741
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
55.01877	1.8
55.05508	13.8
56.05034	5.0
56.96566	3.4
57.07068	5.4
60.04519	5.0
67.05496	16.9
68.05029	3.2
69.03424	1.5
69.07069	14.0
70.05572	6.3
71.08620	2.2
72.04486	1.5
79.05494	15.1
80.05023	2.2
81.07053	19.2
82.06583	5.9
83.04969	2.8
83.08617	5.7
86.06071	1.9
91.05476	10.0
93.07056	8.2
94.06567	2.6
95.04972	3.6
95.08612	15.4
96.08146	1.9
97.06537	2.0
97.10171	3.7
98.97575	5.6
105.07027	8.5
107.08599	5.3
109.06542	2.8
109.10148	6.7
111.04453	1.4
111.11682	1.6
116.98636	6.9
119.08578	12.5
121.10168	6.0
122.09691	1.7
123.11691	2.3
131.08577	2.1
133.10139	8.2
134.99669	9.7
135.11674	3.5
145.10139	3.0
147.04422	2.7
147.11642	2.7
147.50076	1.6
153.00742	2.0
153.92462	1.2
155.08609	2.0
157.10106	1.6
159.11636	2.3
161.13321	2.3
161.96223	1.4
169.10136	1.4
171.11670	1.6
173.13347	2.2
183.11375	1.4
187.14691	1.9
195.71422	1.6
197.13327	1.5
201.12791	1.8
208.96454	2.0
239.14319	1.5
243.13618	1.4
250.25352	5.9
253.19633	1.8
262.25232	5.7
274.97556	12.8
280.26352	100.0
281.19083	3.6
287.71194	1.5
292.98529	12.5
297.99304	3.2
298.10846	1.5
298.27551	3.9
298.30923	1.6
299.19992	18.8
311.98541	1.4
316.00339	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	298.2742
Annotation	Palmitoleoyl-EA
Peak:m/z	Relative Intensity
55.05513	10.6
57.07066	5.1
58.46241	1.0
59.90113	1.0
62.06091	100.0
62.33359	1.0
65.12698	1.1
67.05492	3.3
69.06779	1.2
69.07072	12.8
70.02936	2.9
71.08635	2.5
71.35822	2.1
79.05477	3.4
81.07068	6.1
83.08629	9.5
91.05493	1.8
93.07034	5.7
95.08599	5.1
97.06516	2.5
97.10168	4.9
98.06033	1.3
107.08571	3.9
109.10143	3.2
119.08569	3.0
121.10123	3.6
135.11674	3.8
142.52882	1.1
147.04381	1.9
152.64694	1.1
185.13451	1.0
198.51802	1.1
219.21094	1.8
277.19199	1.1
280.26318	3.5
281.24796	5.7
298.27420	54.2
299.14944	1.7
299.19958	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	298.2742
Annotation	(+)-Lepadin D
Peak:m/z	Relative Intensity
50.40233	1.1
50.56516	0.9
52.16985	1.0
55.05514	11.4
56.05027	4.4
56.96555	1.3
57.03432	1.2
57.07065	4.0
58.02954	1.9
60.04522	3.6
65.03915	1.1
66.86879	1.1
67.05173	1.2
67.05505	16.0
68.05032	2.2
69.06770	1.2
69.07076	12.5
70.20694	5.2
71.08642	1.4
76.18337	1.2
79.05484	8.4
80.05011	1.0
81.07059	14.3
82.06580	5.7
83.04963	1.4
83.08630	6.2
86.06061	1.7
91.05483	5.3
93.07043	7.0
93.95538	1.0
94.06560	1.8
95.04971	3.4
95.08613	11.7
96.08116	2.1
97.10178	3.4
98.06059	1.2
98.97581	3.4
100.07658	1.2
105.07044	7.3
107.08608	4.5
109.10133	5.6
111.04481	1.2
112.07655	1.3
116.98612	5.8
119.08578	10.0
121.10165	4.8
123.11727	1.7
124.19778	1.1
131.08560	1.0
133.10144	5.8
134.99670	8.2
135.11676	4.2
136.06155	1.7
136.41476	1.1
145.10162	2.8
147.04387	1.3
147.11703	2.1
159.11722	1.6
161.13271	2.1
171.11685	1.6
183.11661	1.3
191.10712	1.3
197.13245	1.1
199.14896	1.8
224.54076	1.0
250.25282	5.3
253.19502	1.9
256.96378	1.5
262.25381	3.9
274.97485	6.8
280.26358	100.0
281.18887	1.7
281.26779	2.7
292.98630	6.9
297.99133	1.3
298.27469	3.0
299.19983	11.4
315.99973	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	298.274
Annotation	Cassine
Peak:m/z	Relative Intensity
53.03939	0.6
55.01861	0.9
55.05295	0.5
55.05512	4.4
56.05033	0.6
56.96560	1.3
57.03436	0.8
57.07063	1.2
58.06592	1.9
58.07432	0.3
67.05165	0.7
67.05499	6.7
69.07069	3.8
70.06593	16.0
70.08482	1.9
71.01373	0.4
71.04978	1.1
74.06081	0.4
79.05482	2.3
81.03385	0.4
81.07056	9.0
83.04976	0.5
83.08612	2.3
84.08144	0.8
85.06551	0.5
86.06055	2.1
91.05502	2.5
92.92157	0.3
93.07029	3.9
95.04948	1.0
95.08599	9.2
95.09171	0.7
96.08119	0.5
97.06541	1.0
97.09002	0.4
97.10178	1.0
98.09692	2.2
98.20779	0.4
98.97608	0.5
100.11250	0.8
105.07032	2.2
107.04974	0.5
107.08577	3.3
108.08141	0.5
109.06514	0.6
109.10165	4.6
109.55308	0.3
110.09715	0.4
111.04469	0.8
111.08122	0.3
116.00166	0.4
116.10727	2.9
116.98619	0.9
119.08578	4.7
121.06502	0.4
121.10133	1.3
123.08124	0.4
123.11706	1.7
128.06221	0.4
131.08562	1.3
133.06451	0.4
133.10120	2.8
134.99692	0.9
135.08011	0.5
135.11691	1.5
136.06203	1.0
137.09616	0.8
139.07437	0.4
140.16013	0.4
142.08688	0.4
143.08543	1.3
145.10121	1.8
147.04439	0.6
147.11684	0.7
149.13219	0.5
157.10165	0.8
159.11703	1.5
161.13277	0.7
165.09088	0.6
169.10088	0.7
171.11725	0.8
173.13229	0.8
179.10855	0.4
183.11696	0.8
185.13217	0.9
187.14908	0.5
195.09941	1.8
196.73854	0.4
197.13289	1.2
198.18498	0.8
199.14859	0.6
200.12892	0.5
211.14803	0.4
232.12151	0.4
238.18001	0.5
239.18044	0.9
253.19534	1.0
254.21101	1.5
274.97476	0.7
280.19360	1.3
280.26349	56.7
281.18958	1.4
281.26663	0.9
292.98492	1.1
298.20352	7.9
298.27402	100.0
299.14807	1.2
299.20050	8.0
299.27695	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	298.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.05515	15.4
56.96566	4.8
57.03429	3.0
57.07065	1.5
59.04992	6.3
61.01134	2.3
61.02910	3.5
62.80468	1.2
68.45070	1.1
69.03436	4.9
69.07066	2.4
69.94528	1.1
70.06584	3.0
71.05042	1.1
71.59707	1.8
73.02916	2.6
73.06554	3.0
81.03420	2.1
81.07053	1.6
83.04984	11.1
84.08151	2.7
85.02911	16.0
91.03975	1.3
97.02892	6.9
98.97604	3.3
101.06020	100.0
109.02872	1.4
114.28648	1.2
116.98625	4.9
119.06211	1.9
119.07059	34.3
120.08138	1.9
127.03920	3.5
129.10153	1.8
134.99661	2.1
136.06175	19.5
136.09714	1.9
138.05510	2.0
140.07095	3.0
145.04953	4.5
146.99625	1.4
152.05679	19.3
153.04123	1.6
158.06584	1.3
158.99722	1.5
166.07245	19.3
167.05650	2.4
193.04297	1.4
193.10864	1.5
237.02827	1.7
283.03036	2.0
298.08884	2.6
298.17810	1.7
299.06293	3.4
300.06024	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	297.9912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55050	2.0
51.23840	1.8
53.40831	2.0
56.96568	16.4
58.74562	1.8
69.72592	14.5
88.72414	1.8
98.20816	2.5
98.97585	84.9
100.82095	1.8
106.06840	2.0
116.98628	79.7
134.99660	54.0
140.00179	2.9
152.01598	2.5
153.00677	10.6
172.95340	3.6
190.95457	5.9
205.00978	2.5
208.96593	3.0
214.96231	7.4
219.02046	2.4
230.29588	2.0
232.96538	7.3
234.99744	2.9
250.97729	3.2
252.96237	2.5
256.04153	3.2
256.96744	12.0
257.02789	4.1
273.95297	4.2
274.00049	2.9
274.49805	2.1
274.97507	100.0
292.98557	93.4
293.01819	3.5
297.95917	2.9
297.99185	7.1
298.05206	2.8
315.96521	2.5
316.00241	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	298.0968
Annotation	5'-Deoxy-5'-Methylthioadenosine
Peak:m/z	Relative Intensity
60.64570	0.2
61.00848	0.3
61.01151	5.1
67.05502	0.3
69.03405	0.4
69.07071	0.4
69.99020	0.4
69.99442	1.0
75.02697	1.9
84.08142	0.4
97.02875	1.3
103.02177	0.5
109.10194	0.2
119.03568	0.6
119.08566	0.3
135.07993	0.2
136.06186	100.0
137.04593	0.5
137.06548	0.8
145.03238	1.2
163.04227	1.4
190.94499	0.3
298.09720	5.4
300.06570	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	297.2424
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01875	43.6
55.05512	35.4
57.03432	4.3
57.07075	19.4
61.88686	4.4
62.88893	3.8
65.03943	4.0
67.05507	53.4
69.07074	100.0
69.82052	29.6
71.04989	7.3
71.08641	7.5
77.20268	3.6
79.05501	28.2
81.07064	53.8
83.04996	15.3
83.08632	38.6
91.05482	15.4
93.07041	53.6
95.04948	10.1
95.08617	61.8
97.06525	15.7
97.10177	12.8
98.21417	5.6
105.07026	14.8
107.08589	42.5
109.09470	6.3
109.10163	49.3
111.08071	8.3
111.11712	7.4
117.06951	5.1
119.08598	18.7
120.30107	5.0
121.10148	29.9
123.11745	10.3
129.07040	6.2
131.08618	13.8
133.10120	18.5
135.08078	6.7
135.11694	24.3
137.13261	8.1
143.08618	7.0
145.10129	16.6
147.11737	14.7
149.09578	7.8
149.13263	12.1
151.14786	5.0
153.12737	53.3
157.10164	5.9
159.11722	16.2
161.13297	15.9
163.14896	6.3
171.11653	10.1
173.13222	6.5
175.14929	6.3
183.13902	5.8
185.13260	11.9
187.14799	11.0
199.14914	7.9
201.16362	8.0
209.13278	5.0
213.16493	5.9
216.61073	4.6
219.21188	6.6
233.22704	12.1
241.19533	7.1
243.21071	8.0
251.10332	4.3
251.23744	12.7
261.22174	22.4
266.12723	6.6
279.23221	69.2
292.98651	5.9
297.16971	5.9
297.22229	24.4
297.25815	54.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2425
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.01865	1.3
55.04749	0.8
55.05306	0.8
55.05511	11.1
57.03431	6.8
57.06820	1.4
57.07078	19.5
59.05008	1.0
59.38528	0.7
67.05171	1.5
67.05507	24.3
67.74301	1.0
69.07072	12.2
71.01358	6.7
71.05002	1.1
71.08627	13.2
71.60203	1.2
78.00459	0.8
79.05494	5.8
81.03422	1.3
81.07058	25.7
83.04987	1.8
83.08621	6.0
85.06525	1.4
91.05492	2.8
93.07040	9.3
95.04974	2.2
95.08606	27.6
96.19437	0.8
97.06529	2.2
97.10175	7.0
99.04451	2.3
99.08121	1.6
105.07035	2.3
107.08606	4.4
107.10326	0.8
109.06483	1.2
109.10149	12.1
109.50707	0.8
111.08047	0.9
113.06015	3.3
119.08559	2.4
119.80473	1.0
121.10159	6.5
123.08049	1.8
123.11700	4.5
124.88324	0.8
125.09618	4.1
127.11206	0.9
129.06976	0.9
131.08575	2.1
133.10121	2.7
135.08049	1.2
135.11714	4.7
135.28560	1.0
137.13261	2.0
139.18193	0.9
141.12727	6.8
145.10115	2.0
147.11720	1.8
149.13226	2.0
151.07541	1.7
151.14783	1.6
157.10036	1.4
159.11705	2.2
161.13219	1.5
169.15871	12.6
173.13293	1.2
183.13811	100.0
184.14160	1.8
185.13322	1.2
187.14832	1.9
189.11192	2.1
216.14348	0.9
224.16533	1.4
251.23701	19.8
261.22134	3.5
266.12390	1.5
279.23224	14.1
297.18304	3.2
297.21802	1.5
297.25256	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	297.2426
Annotation	Coronaric acid
Peak:m/z	Relative Intensity
53.03928	2.0
55.01857	5.3
55.05513	29.9
56.96552	5.9
57.03420	7.5
57.07083	9.0
59.04988	8.2
60.04512	1.9
60.71689	1.6
61.33171	1.7
67.05505	59.6
69.03433	15.8
69.07069	72.5
70.06582	3.9
71.04999	21.6
71.08620	3.4
71.60919	3.3
74.38985	1.8
79.05493	20.4
81.03436	2.4
81.07059	98.8
82.07401	3.2
83.04960	6.3
83.08620	23.3
85.02887	6.7
85.06548	15.0
87.04468	4.8
91.05471	17.4
93.07047	58.2
94.07387	1.7
95.04953	7.2
95.08612	100.0
95.32374	1.9
97.02888	3.5
97.06530	33.0
97.10169	12.3
98.97570	6.6
99.04468	2.5
99.08092	10.7
101.06030	2.4
105.07033	24.5
107.08595	49.4
109.02853	1.8
109.06525	10.1
109.10159	63.2
110.10409	1.8
111.08084	15.8
111.11704	4.5
113.09640	7.1
114.19162	1.8
115.60941	1.9
116.98618	5.4
119.08587	19.9
120.01998	1.7
121.06515	2.6
121.10152	36.5
123.08078	5.6
123.11717	35.6
124.07574	5.6
125.09608	7.3
125.13255	3.4
127.07546	1.8
127.11150	3.9
129.07066	1.8
129.09138	2.9
131.08560	5.7
133.10130	17.6
134.99620	3.4
135.08047	3.6
135.11684	37.5
136.06180	2.1
137.06026	1.8
137.09581	7.0
137.13280	13.7
139.11189	12.2
141.09059	2.3
143.08519	2.3
145.04845	2.6
145.10115	8.6
147.11676	11.6
149.09604	4.9
149.13258	14.5
151.11217	9.0
151.14827	3.1
151.19104	2.1
153.12746	21.9
155.10669	2.0
157.10098	3.1
159.11690	8.7
161.13216	8.0
163.14784	5.9
165.12733	6.8
167.14342	2.5
173.09515	2.4
173.11754	2.3
173.13234	3.1
174.05367	1.9
175.14827	7.9
176.82953	2.3
177.00677	2.7
177.09192	2.0
177.12807	2.2
177.16336	4.0
179.14288	3.1
181.10201	2.5
187.14824	6.1
191.57065	2.1
201.16473	2.0
204.09406	1.9
205.15857	3.0
207.11488	2.2
223.16905	2.5
243.21094	7.5
261.14789	3.0
261.22162	16.8
265.08542	4.1
266.14697	4.9
267.05746	1.9
279.23209	44.2
279.26230	2.4
280.26450	3.4
286.66040	2.2
297.11362	6.5
297.18286	9.1
297.24231	70.1
298.23901	10.8
298.27472	11.9
299.06085	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	297.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	6.3
57.07069	3.8
59.05005	2.1
67.05495	5.0
69.03413	6.8
69.07061	11.8
70.14037	4.4
70.14456	5.5
71.05022	2.4
79.05478	4.5
81.07060	11.0
83.08604	4.5
91.05472	2.4
93.07041	10.9
95.04938	3.9
95.08606	13.4
95.44365	1.7
97.06491	2.5
98.20814	2.1
98.97573	3.1
99.08085	2.0
105.07005	8.3
107.04974	2.1
107.08602	11.9
109.06534	2.6
109.10143	4.4
115.07560	9.3
116.79736	1.8
116.98600	3.5
119.08574	6.7
121.06486	9.9
121.10142	8.9
122.07275	3.8
123.08050	10.1
123.11694	6.3
125.05993	2.2
129.05467	2.3
131.08568	5.8
133.10138	5.5
134.99706	3.0
135.08041	24.4
135.11681	8.8
145.10133	10.3
147.08026	2.9
147.11668	5.9
149.09619	6.7
149.13319	2.5
157.10086	3.2
159.08067	2.3
159.11728	2.3
161.09628	2.1
163.07536	10.3
163.11205	2.9
164.08247	2.2
165.12830	2.5
173.09587	3.8
173.13313	5.7
175.11180	2.5
176.11977	5.2
177.09105	8.7
185.13293	2.7
185.40208	2.0
187.14812	4.8
191.14297	68.0
197.13237	4.3
205.15869	12.7
215.14310	11.3
233.15352	100.0
234.15829	2.7
236.07948	2.0
247.16937	7.2
265.17944	19.0
266.12631	2.9
274.97443	4.4
279.19495	8.5
279.22955	4.4
292.98508	4.3
297.15170	3.3
297.20721	41.0
299.06317	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	297.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01021	6.4
53.61588	6.3
54.28020	5.5
55.01870	10.6
55.05506	13.3
56.96562	10.0
57.07090	9.4
59.05013	7.7
59.49267	5.9
61.02927	10.0
67.05507	24.3
69.03429	17.5
69.07069	15.0
71.04986	7.8
71.21787	11.7
73.02908	35.8
73.04747	8.8
75.09881	6.5
79.05491	23.0
81.03426	10.9
81.07047	36.6
83.03873	6.0
83.04968	38.0
83.08640	6.9
85.02887	37.0
86.14591	6.1
87.08838	5.7
91.05502	28.4
93.07034	46.0
95.04987	23.5
95.08615	33.5
97.02891	22.1
97.06522	36.3
98.97558	9.6
99.04456	13.7
105.07041	43.9
105.82186	6.0
107.04974	15.2
107.08597	44.1
109.06521	100.0
109.10160	17.5
111.00041	5.8
111.04477	6.6
111.08078	22.6
113.06001	11.0
116.98621	9.6
117.07057	15.0
119.08579	47.7
121.06539	32.5
121.10168	19.9
123.04431	10.9
123.08067	92.9
123.88911	6.5
125.06004	8.3
127.03918	38.1
129.05536	7.4
129.07034	11.0
131.08575	25.2
133.06506	15.9
133.10155	19.1
135.04456	9.3
135.08038	31.6
136.06192	22.1
137.05966	16.8
137.09631	16.0
139.07565	30.6
143.08604	8.4
145.04982	15.2
145.10155	27.4
147.08034	39.1
149.05930	8.9
149.09625	35.5
151.07552	13.8
153.09099	15.6
159.08063	18.0
159.11668	17.9
161.05965	6.8
161.09648	19.6
163.07533	9.2
163.11180	21.3
165.09119	55.8
171.11713	7.9
173.09634	26.7
175.07585	18.3
175.11179	7.5
177.09132	28.1
177.12668	6.5
179.10733	13.0
187.11224	21.8
191.10747	20.2
193.08592	8.5
195.10136	14.0
201.09166	7.8
205.12138	8.7
207.10141	8.0
215.10716	13.7
219.10205	9.1
221.08156	53.6
227.02335	6.2
233.11812	25.2
235.13152	10.8
239.09137	12.0
242.70073	6.9
243.10410	6.2
261.11282	12.3
266.12607	8.8
266.37338	6.2
266.78555	5.8
266.99777	11.6
279.12311	20.9
279.23444	8.7
283.03088	18.7
292.22659	5.7
297.10342	9.8
297.13422	57.6
298.09265	11.0
299.06180	66.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2632
Annotation	Sterculic acid
Peak:m/z	Relative Intensity
51.30004	0.6
53.03933	1.3
55.01868	2.1
55.05511	17.3
56.96559	1.9
57.03435	1.9
57.07071	7.5
59.05004	2.3
65.03923	0.8
65.52712	0.6
67.05505	18.8
68.45654	0.6
69.03428	3.5
69.07067	100.0
70.07397	1.4
70.47689	2.9
71.04984	2.3
71.08634	3.6
71.66403	0.7
79.05491	5.9
81.03424	1.0
81.07059	31.7
83.04989	1.7
83.08624	15.0
85.02903	1.3
85.06553	2.6
85.10180	1.7
91.05499	2.7
93.07033	10.8
95.04969	2.6
95.08608	24.5
97.02891	1.2
97.06539	4.0
97.10172	4.4
99.08085	2.7
105.07029	5.2
107.08585	9.9
109.06511	2.7
109.10159	40.6
110.10522	1.2
110.33447	0.6
111.08092	3.3
111.11719	22.4
113.09628	0.7
117.07042	1.2
119.08611	5.1
121.10146	10.4
123.08047	1.6
123.11707	13.5
125.09656	1.8
125.13260	0.8
127.11218	3.8
129.12744	2.6
129.58049	0.6
131.08575	1.0
133.10150	3.8
135.11670	4.5
137.09633	2.4
137.13226	4.2
139.11183	21.4
145.10112	1.0
147.11678	4.3
149.13239	4.9
151.05682	0.7
151.11226	0.9
153.12761	1.7
157.12245	3.8
161.13237	2.5
163.14833	3.0
165.06541	1.2
165.12743	1.3
165.16371	0.7
167.10713	1.3
175.14766	1.2
177.16425	2.0
189.16451	1.8
193.15854	0.9
195.13753	0.7
203.17982	2.1
207.17403	0.8
209.18994	2.0
219.21068	2.1
221.19003	1.8
236.13977	1.5
250.10001	0.9
259.24158	3.7
265.12207	1.1
277.21756	2.4
277.25256	12.4
295.23318	1.4
295.26318	38.7
296.16177	1.2
296.26514	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03942	4.0
55.01872	31.9
55.05516	43.3
57.03431	5.8
57.07069	8.4
59.04994	2.5
67.05504	71.6
69.03411	5.0
69.07072	29.0
69.72160	20.1
71.04986	6.0
71.08633	32.3
79.05497	44.0
81.03405	8.6
81.07054	63.3
83.04977	20.0
83.08614	30.7
85.06528	4.2
85.10181	4.6
91.05473	36.0
93.07046	53.6
93.60479	2.6
95.04971	19.1
95.08606	39.0
97.06522	12.4
97.10160	22.3
98.54654	2.6
99.08089	28.9
105.07018	29.6
107.05010	2.7
107.08588	33.5
109.06538	7.0
109.10153	19.2
111.08082	37.0
113.09647	7.2
117.07017	9.2
117.07781	2.9
119.08563	20.1
121.06467	5.1
121.10136	21.9
123.08057	5.5
123.11720	8.7
125.09639	15.9
129.06996	5.7
131.08559	10.1
133.06512	3.2
133.10115	27.6
135.11687	20.7
137.09605	5.8
137.13176	2.8
139.11182	8.8
139.45842	2.9
141.50264	2.8
143.08542	6.0
145.10117	8.3
147.08051	2.8
147.11687	16.7
149.09625	5.6
149.13280	18.8
151.11189	28.9
157.10126	4.2
159.11696	11.6
161.13223	15.3
163.11194	10.4
163.14839	3.6
165.12737	13.6
169.10002	2.9
171.11644	6.2
173.13219	7.5
175.11153	4.5
175.14778	3.8
177.12782	3.6
179.14313	12.2
189.11186	17.0
189.12663	3.3
193.12305	3.1
195.13789	8.8
203.14250	3.3
221.15277	3.7
231.21106	4.6
241.19542	8.7
249.22224	5.6
259.20612	11.4
269.87314	2.6
277.21637	100.0
295.22791	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03947	5.1
55.01869	21.7
55.05513	38.5
57.03437	2.8
57.07065	8.3
59.61402	2.8
67.05171	3.8
67.05508	55.9
68.87374	2.3
69.03411	3.5
69.07070	33.9
69.51227	2.6
70.13746	8.3
70.14156	3.7
71.04990	6.4
71.08630	31.6
75.94339	2.5
79.05490	39.3
81.03421	17.9
81.06586	3.4
81.07060	64.1
83.04977	15.6
83.08626	27.6
85.02906	3.1
85.06535	4.2
85.10191	3.7
91.05479	33.3
93.07038	56.5
95.04965	16.2
95.08604	47.1
97.06533	25.0
97.10194	14.6
99.08096	33.1
105.07043	25.1
107.04944	5.2
107.08604	31.2
109.06507	6.0
109.10157	27.8
111.08091	10.9
111.11656	2.6
115.83485	2.5
117.06998	6.2
119.08588	21.1
121.10154	23.8
123.08064	6.5
123.11722	7.5
125.09628	13.7
129.06993	7.3
129.39410	2.6
131.08551	8.8
133.10159	16.3
135.08028	4.3
135.11688	20.4
137.09650	8.2
139.11150	3.4
143.08620	6.0
145.10135	5.1
147.11694	25.2
149.09720	2.3
149.13252	13.6
151.07571	5.4
151.11174	20.0
153.12762	4.5
157.10146	6.5
159.11659	4.8
161.09576	2.6
161.13271	21.1
163.11148	6.9
163.14861	5.6
165.12784	10.9
167.10689	3.1
170.31523	2.4
171.11664	7.2
173.13301	5.0
175.14752	4.5
177.12903	4.2
179.14307	21.1
185.13286	5.1
189.11192	6.8
189.12794	5.3
193.12219	7.2
201.08986	3.1
207.13853	3.5
211.13341	5.4
213.16606	3.1
221.15404	4.6
229.83601	2.7
231.21057	4.7
235.16948	3.9
239.10646	6.2
241.19534	9.9
249.22131	7.0
250.10051	4.7
253.12265	7.4
259.20547	15.8
265.12329	10.5
277.21637	100.0
280.14600	4.5
295.13809	4.3
295.16992	29.0
295.22849	23.6
295.31192	7.3
296.16522	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	295.2268
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03938	11.6
55.01867	6.1
55.05515	28.6
57.07069	8.4
65.03965	5.0
67.05503	60.9
69.07069	42.5
69.36805	38.2
70.44705	3.5
71.08625	10.1
79.05489	37.7
80.31784	4.1
81.03416	59.6
81.07056	52.6
83.04999	17.7
83.08627	18.3
85.10201	4.8
91.05481	23.4
93.07047	47.6
94.59769	3.9
95.04959	37.9
95.08610	30.2
97.06544	10.4
97.10162	12.8
98.20741	8.3
99.08133	8.0
101.02365	3.4
105.07008	23.1
107.08604	28.0
109.06547	10.2
109.10154	24.0
111.08078	6.0
119.08597	15.4
121.10161	18.2
123.11668	7.3
125.09582	6.0
125.27734	3.5
129.07036	6.5
131.08571	6.2
133.10120	16.0
135.08066	4.8
135.11719	11.1
145.10172	4.1
147.08060	4.5
147.11661	11.6
149.13281	7.8
151.11180	39.6
153.09132	7.0
161.09599	5.1
161.13239	14.0
163.14795	6.5
165.12755	7.2
173.13223	5.4
175.11179	7.6
175.14856	7.7
179.14313	11.2
185.13313	4.9
193.12234	15.7
207.13922	6.0
211.13278	8.3
215.73116	4.8
231.21045	15.4
235.07527	5.1
249.22229	5.4
250.09846	6.9
259.20602	12.9
265.12320	10.4
277.21619	100.0
295.06033	4.9
295.22678	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	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03942	5.4
53.19734	1.8
55.01876	21.5
55.05509	36.8
56.96572	1.8
57.03428	3.8
57.07071	10.1
57.27655	1.9
67.05503	60.1
69.03404	4.6
69.07066	25.4
69.88135	8.3
71.04992	4.1
71.08629	32.0
79.05490	35.2
81.03426	17.5
81.07056	55.9
81.32984	2.0
83.04977	16.0
83.08620	23.0
85.06548	5.5
85.10179	7.4
91.05473	21.7
93.06467	3.5
93.07039	43.9
95.04980	14.2
95.08604	42.7
95.74049	2.0
97.06519	11.8
97.10167	18.7
98.20799	2.4
99.08086	25.7
99.09513	1.9
101.18110	1.9
101.83369	1.9
105.07028	25.8
106.01144	1.8
107.04974	3.8
107.08588	26.5
109.06522	6.4
109.10142	20.6
111.08069	20.6
113.09679	11.1
117.07014	2.8
119.08585	18.5
121.10140	17.7
123.08083	6.0
123.11710	8.8
125.09626	14.9
129.07002	3.8
131.08557	5.8
133.10133	15.7
135.08025	2.5
135.11713	15.0
137.09624	7.3
139.11136	9.6
143.08582	4.6
145.10129	7.3
147.11711	17.5
149.02347	6.0
149.09631	3.2
149.13286	12.8
151.11180	24.3
153.12773	5.1
157.10144	5.8
159.11690	5.3
161.13263	13.8
163.11171	14.2
163.14807	6.7
165.12750	16.7
171.11673	4.2
173.13255	2.9
175.11154	3.8
175.14803	4.1
179.14328	13.0
185.13217	4.8
189.11275	9.2
193.15936	3.5
199.14760	1.9
221.15393	4.3
231.21025	2.6
241.19444	9.2
249.22119	8.1
259.20551	14.4
277.21628	100.0
278.22021	3.4
295.22702	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2267
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.03935	4.1
54.60120	2.1
55.01865	4.0
55.05265	2.1
55.05514	24.4
55.72442	1.9
57.03413	3.1
57.07080	28.7
67.05512	32.6
69.07072	21.3
70.77501	6.6
71.04985	4.6
71.08616	2.2
73.73128	2.1
74.71766	2.0
79.05489	23.5
81.03421	16.6
81.07055	31.9
83.04985	12.5
83.08616	9.5
85.06530	3.2
85.10187	76.0
91.05486	29.0
93.07034	23.3
95.04963	18.9
95.08609	31.8
97.06517	5.9
97.10162	8.1
99.08076	3.0
105.07043	16.2
107.04971	17.9
107.08611	12.5
109.06507	4.2
109.10160	8.8
111.08106	2.6
113.09649	100.0
117.07102	2.2
119.08562	9.8
121.10136	9.2
123.08069	7.2
123.11744	3.5
125.09629	3.7
129.07013	5.7
131.08553	5.8
133.10118	6.0
135.11678	4.6
143.08537	2.4
145.10133	6.1
147.11714	14.6
149.09641	12.1
149.13240	2.3
151.11223	4.3
155.10614	2.0
157.10138	3.6
159.11696	3.8
161.13229	5.3
163.11174	15.7
165.03326	1.8
165.12766	63.2
171.11703	2.4
175.11194	6.4
175.14792	3.1
179.14316	2.8
181.12222	3.6
193.15927	1.9
200.69702	2.1
207.13841	3.3
231.21144	3.5
233.13408	2.2
241.19525	4.6
259.20535	7.9
265.12277	3.9
277.21686	54.5
295.17047	3.3
295.22708	50.2
296.16446	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	295.2268
Annotation	9-Hydroxy-(10E,12Z,15Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03928	5.8
55.01872	10.2
55.05510	49.5
57.03424	6.1
57.07084	11.0
65.03921	3.7
67.05505	97.1
69.03420	4.4
69.07069	32.4
70.05204	10.1
71.04979	3.6
71.08640	11.0
73.02915	1.7
73.65367	1.5
79.05056	3.2
79.05489	47.1
81.03419	9.5
81.07056	65.6
82.07375	1.7
83.04987	13.6
83.08617	26.2
85.02895	2.8
85.06555	8.2
85.10178	2.8
91.04969	2.6
91.05482	30.6
93.07043	59.5
95.04971	14.9
95.08607	46.9
97.06521	10.4
97.10172	30.2
98.21452	2.3
99.08085	11.2
105.07021	25.0
107.04940	3.8
107.08591	37.9
109.06504	5.4
109.09451	2.6
109.10157	31.8
111.08062	6.4
111.11643	1.9
117.07044	8.8
119.08580	22.7
121.06512	3.0
121.10151	21.0
123.08080	6.8
123.11697	6.8
125.09620	21.3
129.07016	3.1
131.08595	8.3
133.10129	15.3
135.08022	6.2
135.11668	16.7
137.09621	9.6
137.13231	2.0
139.11163	10.9
143.08549	4.4
143.36098	1.8
145.10133	6.8
147.08101	2.3
147.11719	16.1
149.09598	2.9
149.13248	11.5
151.11183	16.2
153.09106	3.2
153.12746	3.5
157.10117	5.0
159.11659	5.1
161.09610	2.3
161.13272	11.5
163.11166	6.1
163.14763	3.4
165.12778	8.7
171.10257	2.0
171.11687	6.2
173.11842	2.7
173.13260	7.2
175.11177	3.1
175.14793	7.5
179.14279	5.5
181.12219	3.1
185.13274	3.6
189.11227	16.9
189.12764	3.1
189.16418	1.9
193.15915	3.1
199.14752	1.8
203.14275	1.9
207.13715	3.0
217.19418	2.1
221.15373	3.0
231.21007	5.8
235.14822	2.5
235.16953	1.9
241.19470	8.4
249.22150	5.0
250.09903	3.8
259.20532	11.7
265.12210	3.3
277.21625	100.0
295.06088	2.3
295.22736	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03952	2.9
55.01868	2.4
55.05516	17.0
55.98658	1.4
56.96572	1.6
57.03444	4.2
57.07076	5.4
59.05008	2.0
65.87891	1.5
67.05508	33.1
69.03423	3.0
69.07074	18.0
70.02645	4.7
70.03051	3.4
70.04046	1.5
71.05020	2.8
71.08640	19.7
79.05495	18.4
80.15603	1.5
80.54159	1.3
81.03419	10.4
81.07067	24.8
83.04993	7.4
83.08633	7.9
85.06567	3.5
86.09710	2.1
91.05489	12.9
93.07056	24.5
95.04982	13.3
95.08617	17.4
97.06549	4.1
97.10180	6.0
98.21365	2.1
99.08100	13.6
105.07031	9.3
107.04998	2.9
107.08595	13.8
109.06541	4.2
109.10170	13.5
111.08124	2.4
111.11761	2.4
117.07018	2.8
119.08611	7.3
121.10149	9.9
123.08092	3.4
123.11730	2.8
123.12605	1.4
125.00008	2.5
127.11212	2.5
129.07028	1.9
131.08578	2.8
133.10158	7.6
135.08090	2.4
135.11682	6.0
137.09621	6.1
139.11180	2.8
143.08563	2.8
145.10144	3.7
147.11702	2.9
149.13272	3.5
151.11174	14.3
157.10133	1.8
159.11658	2.3
161.09654	1.3
161.13312	4.1
163.11243	4.7
165.12779	2.5
171.11639	2.1
173.13278	1.5
179.14316	8.0
184.07336	9.0
189.12724	1.8
193.15883	1.9
197.13228	1.5
221.13336	1.9
221.15331	3.5
235.16916	2.3
246.89340	1.4
249.22128	1.8
250.09966	2.6
259.20676	2.9
265.12280	2.3
274.11560	1.4
277.21649	56.7
283.08627	1.7
295.13452	2.1
295.22745	100.0
296.13007	1.5
296.16406	2.2
296.23254	1.6
308.44247	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	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
53.03950	8.6
55.01863	10.4
55.05289	3.8
55.05514	36.4
56.73855	3.1
56.96538	5.4
57.03436	5.0
57.07065	12.7
59.05003	3.6
67.05508	74.9
69.03410	3.9
69.07070	25.5
69.37393	38.3
71.08633	39.4
79.05489	33.5
81.03415	14.3
81.07061	56.0
83.04973	12.3
83.08615	25.3
85.06532	5.9
91.05481	25.9
93.07046	48.4
95.04960	14.8
95.08615	38.2
97.06541	8.4
97.10175	25.3
99.08092	39.2
105.07050	23.1
107.04932	6.9
107.08597	29.5
109.06527	8.6
109.10147	31.6
111.08057	11.3
113.09653	3.0
117.06972	7.2
119.08590	20.7
121.06487	7.5
121.10167	17.8
123.11707	7.7
125.09663	24.6
129.06999	4.3
131.08525	7.5
133.10117	14.7
135.08067	5.9
135.11716	19.7
137.09619	4.5
143.08571	4.2
145.10089	12.2
147.11668	12.5
149.13255	12.5
151.11177	39.3
157.10152	4.0
159.11745	5.2
161.13297	16.3
163.11180	14.0
163.14723	3.7
165.12819	8.2
171.11786	4.3
173.13281	6.7
175.03891	4.0
175.14828	5.1
177.12785	4.6
179.14351	9.1
185.13287	4.6
189.11195	15.4
189.16130	4.0
199.14830	4.3
221.15352	5.1
224.30104	3.3
225.60551	3.2
225.62842	3.0
241.19505	10.5
259.20544	19.4
265.12350	8.2
277.21649	100.0
295.22690	12.7
296.25662	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	295.2267
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03934	6.0
55.01863	9.0
55.05512	46.1
56.05844	2.5
57.03434	3.9
57.07063	5.0
59.04988	2.4
65.03931	2.7
67.05506	83.2
68.05823	1.7
69.03426	5.7
69.07072	27.7
70.16685	5.9
71.04982	3.0
71.08636	29.5
79.05059	2.8
79.05494	38.8
79.64783	1.7
80.05820	4.3
81.03422	16.5
81.07056	46.6
82.07379	2.8
83.04994	10.3
83.08614	26.2
84.08941	2.0
85.06535	6.0
87.99875	1.7
91.05489	24.2
92.05822	2.3
93.07040	44.1
94.07373	3.0
95.04976	17.0
95.08612	28.7
97.06556	11.3
97.10168	34.6
99.08094	30.6
105.07029	22.1
106.07391	2.8
107.04978	6.0
107.08600	36.9
108.08921	9.1
109.06527	5.5
109.09323	2.9
109.10150	25.6
111.08082	4.8
117.07027	5.5
119.08577	15.7
121.00485	5.7
121.06535	2.2
121.10139	21.2
123.08076	2.5
123.11697	4.8
123.50677	2.0
125.09644	28.1
129.06950	4.3
131.08556	7.4
133.06601	2.1
133.10115	13.6
135.08023	5.0
135.11700	16.9
137.05978	33.7
137.09608	4.1
138.06305	27.4
139.11130	2.0
143.01703	2.1
143.08562	4.8
143.10634	2.9
145.10124	9.4
147.08057	2.1
147.11710	14.1
149.13271	10.9
151.09996	2.4
151.11186	31.8
153.09082	3.3
153.12698	2.7
153.28915	2.0
156.09320	2.1
157.10104	6.5
159.11670	3.2
161.13271	16.2
163.11194	11.7
163.14819	3.2
169.10043	2.3
171.10313	3.1
171.11713	5.5
173.09492	2.0
173.11784	2.8
173.13271	5.5
175.11272	2.0
175.14738	4.8
177.00183	4.7
177.12773	2.7
179.14307	10.0
181.12218	2.1
185.13315	5.4
188.51073	2.6
189.11206	26.3
189.12775	3.0
191.11577	1.8
192.02271	1.8
193.10173	2.1
193.15958	2.6
195.11772	2.3
197.13217	3.0
207.11786	1.8
207.13812	2.6
213.16309	2.3
217.02570	2.7
217.19574	2.4
221.13332	2.6
221.15334	2.8
223.14909	1.8
231.21141	3.5
236.15520	2.0
239.17851	2.2
241.19566	9.5
243.73157	1.9
249.21608	1.8
250.09819	2.6
252.04814	2.6
256.29907	1.7
259.20547	10.6
261.05148	2.9
263.55396	3.0
265.12332	5.3
274.80859	1.9
275.20306	2.7
277.21652	100.0
278.01279	2.0
280.35620	1.7
285.10855	1.8
295.20532	12.2
295.23016	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	295.2268
Annotation	9-OxoODE
Peak:m/z	Relative Intensity
53.87638	1.9
55.01873	43.9
55.05511	29.3
57.03432	4.9
57.07067	10.0
60.39309	2.0
67.05508	38.4
69.03424	4.1
69.07070	19.2
70.15423	4.6
70.15829	7.9
71.05013	5.1
71.08634	16.9
79.05494	28.2
81.03416	7.3
81.07056	45.4
83.04977	12.1
83.08617	22.5
85.06551	5.1
85.10179	9.4
85.36711	1.9
91.05476	21.8
93.07037	24.8
93.07552	2.9
95.04974	14.7
95.08601	28.8
97.06543	14.7
97.10168	6.4
97.37057	2.7
99.08087	13.1
103.93240	2.5
105.07033	19.1
107.04959	3.6
107.08587	18.1
109.06522	7.1
109.10160	11.1
111.08083	48.3
113.09652	15.3
119.08569	12.4
121.10140	13.5
123.08112	3.7
123.11691	6.2
125.09621	5.8
129.06978	4.2
131.08553	7.8
133.10115	22.2
135.11653	10.3
137.09592	3.6
139.11192	4.8
143.08566	3.4
145.10121	5.7
147.11736	11.8
149.09642	8.1
149.13272	8.8
151.11172	19.7
153.12677	4.3
157.10126	5.4
161.13252	7.0
163.11211	7.3
163.14861	3.6
165.12747	22.5
171.11717	6.8
175.11195	3.2
175.14787	3.0
179.14330	10.1
185.13173	3.1
189.12666	2.7
221.15260	2.7
241.19478	5.2
249.22127	6.6
253.74245	2.4
259.20438	11.5
265.12112	3.4
277.21646	100.0
295.17075	5.3
295.22714	49.7
315.51337	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2268
Annotation	9(S)-HOTrE
Peak:m/z	Relative Intensity
51.26382	4.5
52.33125	4.8
55.01862	13.5
55.05516	28.8
57.03428	8.0
57.07079	29.0
57.08855	4.3
67.05509	52.8
68.43890	4.3
69.07072	36.4
71.04988	10.5
71.08634	10.4
76.09113	4.2
79.05492	33.7
80.69217	5.5
81.03429	23.5
81.07061	58.6
83.04988	23.7
83.08608	13.0
85.02880	5.0
85.10174	51.2
91.05489	35.1
93.07045	44.4
95.04977	29.4
95.08623	45.0
95.24839	5.2
97.06519	11.7
97.10163	14.1
98.21576	14.0
99.08083	8.4
99.84676	5.6
105.07039	25.7
107.04942	14.7
107.08598	26.7
109.06523	7.7
109.10185	27.2
111.08112	6.0
113.09646	69.0
116.83549	5.0
119.08587	26.3
121.10154	16.1
123.08101	8.5
123.11735	7.1
125.09625	7.9
129.07030	5.9
129.24403	5.4
130.01332	4.9
131.08551	9.1
133.10118	21.1
135.11678	7.8
137.09622	7.1
139.01187	4.7
139.02272	4.6
143.08531	7.5
145.10133	8.6
147.11652	15.4
149.09613	9.6
149.13220	13.7
151.11165	11.7
157.10065	6.0
159.11687	6.0
163.11217	9.7
165.12737	52.8
171.11743	7.5
173.13235	14.2
175.14819	5.8
194.58807	5.0
235.07597	8.2
250.09985	7.5
259.20471	10.0
265.12210	11.0
277.21637	72.0
278.21970	11.7
295.22696	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	295.2269
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
52.49329	1.8
53.03946	4.8
55.01875	11.3
55.05512	43.0
57.03445	5.4
57.07070	8.9
59.05006	2.3
62.18490	1.9
65.03928	2.7
67.05505	82.7
69.03435	4.5
69.07068	27.5
71.04992	4.8
71.08634	14.2
71.59383	3.3
79.05490	42.4
81.03413	8.9
81.07057	68.5
81.07526	4.2
83.04994	14.3
83.08620	29.2
85.06556	6.3
85.10210	3.5
91.05475	26.6
93.07050	48.0
95.04962	15.6
95.08612	45.5
97.06525	9.9
97.10167	23.0
99.08089	14.9
105.07033	22.7
107.08602	36.0
109.06531	7.9
109.10164	32.0
111.08092	14.8
111.11732	3.3
113.09614	4.7
117.07005	4.1
119.08595	18.1
121.06536	2.9
121.10145	24.5
123.08104	3.3
123.11715	10.5
125.09623	18.2
129.06969	4.7
131.08589	7.8
133.10109	20.0
135.08046	5.3
135.11681	18.3
136.81413	2.1
137.09604	6.2
137.13313	2.5
139.11203	9.7
143.08531	4.6
145.10135	6.0
147.11684	14.1
149.09633	4.0
149.13220	13.1
151.11163	16.5
153.09065	2.4
153.12712	3.8
157.10161	6.4
159.11700	5.9
161.09546	2.3
161.13292	10.6
163.11255	3.6
163.14844	5.6
165.12752	8.4
171.11673	7.0
173.13300	4.5
175.14824	6.0
177.12749	5.7
179.08531	2.1
179.14401	3.8
185.13213	5.4
189.11261	15.2
189.12764	3.6
193.12228	5.3
193.15900	2.8
195.13753	2.9
199.14882	4.1
211.10887	2.0
214.84113	1.9
217.19630	2.3
231.21173	3.5
241.19574	7.7
259.20624	13.5
265.12332	4.7
277.21634	100.0
278.22003	6.1
295.06094	2.4
295.17114	4.5
295.22739	49.3
296.16339	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	295.227
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
55.01868	20.9
55.05511	31.2
57.03434	10.7
57.07068	14.7
67.05508	74.3
69.07068	25.1
70.35499	20.7
71.04983	5.9
71.08620	21.1
75.66442	4.9
77.57003	4.1
79.05502	47.5
81.03401	9.0
81.07062	80.7
82.89556	4.6
83.04977	10.6
83.08617	30.7
85.06600	5.4
85.10184	5.7
91.05488	37.7
93.07043	53.7
95.04982	13.1
95.08620	52.9
97.06535	14.4
97.10170	13.7
99.08098	16.1
105.07039	26.9
107.08608	45.7
109.06556	8.3
109.10175	32.7
111.08061	13.0
117.07066	8.8
119.08592	17.4
121.10156	29.2
121.68537	4.6
123.08095	9.7
123.11701	10.2
125.09638	9.7
129.07013	6.2
131.08571	13.1
132.55333	5.1
133.10114	19.4
135.11720	29.3
137.03133	4.8
137.09637	8.7
139.11197	5.4
143.08546	7.8
145.10118	12.8
147.11684	15.0
149.13277	11.4
151.11206	9.0
157.10132	7.9
159.11620	6.2
161.09642	6.4
161.13275	13.6
163.11255	10.4
163.14864	5.6
165.12746	10.4
175.11159	5.9
187.14822	5.7
189.11195	10.6
205.15947	10.8
207.17422	57.6
221.19060	5.5
235.07672	5.7
235.14786	6.8
241.19545	7.7
253.15813	7.3
259.20599	16.9
265.12283	13.1
277.21652	100.0
295.17072	11.0
295.22787	43.8
296.16580	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	295.1651
Annotation	Tyr Leu
Peak:m/z	Relative Intensity
51.86740	0.3
53.03928	0.4
55.01881	0.6
55.05509	0.8
56.05027	0.5
56.96547	0.4
57.03424	1.2
61.02927	1.3
67.05495	0.8
69.03138	0.2
69.03430	2.6
69.07064	3.0
70.04071	0.3
70.06593	0.5
71.04987	0.5
71.06583	0.7
72.08151	0.8
73.02913	0.7
74.02429	0.6
74.06091	0.3
75.74104	0.2
79.05493	0.5
81.03410	0.8
81.07056	0.8
83.04959	0.4
83.08611	0.3
84.04489	0.7
84.08142	1.0
85.02905	11.7
85.38134	0.2
86.09706	5.6
87.04462	0.5
91.03948	0.7
91.05479	21.4
93.07021	0.5
95.08607	0.8
97.02888	3.1
97.10081	0.3
98.97588	0.6
99.04443	0.7
99.05598	0.3
102.85272	0.3
103.05457	0.2
105.07033	0.5
107.04950	0.6
107.08551	0.6
108.08147	0.4
109.02874	0.8
109.06530	0.6
116.07057	0.3
116.46091	0.3
116.98621	0.5
117.07050	0.3
118.06528	1.2
119.04939	16.8
119.08598	0.3
120.08128	0.4
121.06525	2.3
121.10104	0.4
124.07601	0.4
127.03912	2.9
129.10191	0.5
130.05080	0.3
130.08640	0.7
131.08578	0.6
132.10178	2.2
135.04416	0.3
136.07574	100.0
136.21480	0.3
137.07903	0.6
138.09140	0.3
141.32851	0.2
145.04961	2.7
145.06027	0.5
147.04416	0.9
150.07794	0.7
154.08598	0.3
161.05997	0.5
161.10739	0.5
163.03857	0.3
163.06004	0.5
174.77489	0.3
177.00777	0.4
179.03424	1.4
237.02827	0.4
249.15944	1.7
250.14348	0.6
251.42801	0.3
265.12100	0.3
277.15466	0.8
278.11185	0.3
278.13940	1.2
295.13309	0.3
295.16531	8.0
299.19440	0.3
308.77740	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	294.2065
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
55.01841	0.4
55.05502	0.2
57.07077	0.6
66.04720	0.3
67.05495	1.1
69.07054	0.6
69.81503	1.5
71.08608	0.4
79.05484	0.8
79.67178	0.2
81.07056	2.2
91.05477	0.8
93.07043	0.3
94.04162	1.6
95.04935	0.3
96.52429	0.2
97.06528	0.4
97.10131	0.4
98.20793	0.2
107.05017	0.5
107.08586	0.5
108.08917	0.4
109.06490	0.4
109.10136	0.3
119.08592	0.3
122.03651	6.0
123.11706	1.4
128.87527	0.2
130.76430	0.2
133.10059	0.4
137.05972	100.0
138.06273	1.0
139.24039	0.2
156.12627	0.2
158.15390	1.5
170.15399	2.3
181.03340	0.2
181.98598	0.2
276.20288	1.2
283.84695	0.2
294.21228	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	295.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.1
55.01857	1.4
55.05516	0.6
56.96556	0.9
57.03442	4.6
59.05000	0.6
61.01182	0.5
61.02926	6.5
67.05492	0.8
69.03431	10.7
69.04273	0.5
69.06712	1.1
69.07068	9.4
69.43489	5.1
70.06574	1.5
71.04976	1.5
72.08146	1.3
73.02903	4.3
74.06060	0.6
79.05485	0.8
81.03423	4.0
81.07055	1.8
82.06591	0.5
84.04482	1.5
84.08140	1.4
85.02908	56.2
86.09705	8.2
87.04462	1.5
87.08103	8.9
91.03971	3.2
91.05481	19.1
92.77171	0.5
93.07069	0.8
94.48371	0.5
95.08609	1.5
97.02886	13.8
97.06554	0.7
98.97587	0.7
99.04453	2.4
101.02380	0.7
103.03969	0.6
107.04956	0.8
107.08565	0.7
109.02872	3.7
109.06501	1.0
115.03918	2.0
116.98609	0.6
118.06558	1.2
119.04948	16.6
120.08038	0.9
121.06549	2.9
127.03918	14.1
130.04988	0.6
130.08640	1.1
132.10214	2.1
133.04962	1.5
133.08617	1.1
133.10112	0.7
134.99603	0.7
136.07579	100.0
137.07903	0.6
140.47810	0.5
145.04962	15.5
147.04427	0.9
150.07707	2.5
163.06012	2.3
177.00594	0.8
179.03412	0.6
210.50954	0.6
219.01898	0.6
249.16112	1.4
250.14447	0.9
251.05582	1.5
277.15286	1.1
277.21594	0.6
278.13977	1.7
295.16510	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	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01866	9.5
55.05509	84.4
56.05855	4.9
56.52953	3.3
56.96566	8.0
57.03438	20.8
57.07075	5.1
59.05001	76.9
64.49438	4.2
67.05506	41.1
69.03429	15.0
69.07068	39.5
70.07371	4.7
71.04999	31.0
79.05479	21.6
81.03417	9.0
81.03864	4.3
81.07047	55.4
82.07387	13.8
83.04982	9.7
83.08616	45.6
84.08965	4.9
85.02908	24.2
85.06535	7.0
87.04469	100.0
89.06030	16.8
91.05476	11.9
93.07040	18.0
95.04943	4.9
95.08611	47.1
96.08936	16.6
97.02914	5.2
97.06522	8.9
97.10166	70.5
98.97583	8.9
99.04450	26.0
101.06015	4.3
105.07017	11.6
107.08587	23.4
108.08938	5.5
109.10164	23.5
110.10472	10.6
111.04469	4.9
116.98616	6.9
117.05482	7.4
117.44019	4.1
119.08546	6.9
121.10130	9.7
122.06053	4.9
123.06770	6.8
123.08067	4.5
123.11706	9.2
124.12035	6.6
125.05995	4.4
125.09628	53.3
131.08525	4.2
134.99677	6.5
135.11655	9.4
136.07530	6.1
138.13586	7.6
143.10747	4.6
145.10097	11.0
147.08105	4.3
149.13202	4.6
153.12750	7.7
163.11182	17.0
173.11818	7.5
177.00748	6.9
197.07314	6.4
210.86250	4.1
229.16650	3.9
256.15048	7.7
276.20560	6.0
276.23221	25.8
294.21338	7.7
294.24319	38.2
294.28601	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	294.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	6.2
55.01866	9.5
55.05509	84.4
56.05855	4.9
56.52953	3.3
56.96566	8.0
57.03438	20.8
57.07075	5.1
59.05001	76.9
64.49438	4.2
67.05506	41.1
69.03429	15.0
69.07068	39.5
70.07371	4.7
71.04999	31.0
79.05479	21.6
81.03417	9.0
81.03864	4.3
81.07047	55.4
82.07387	13.8
83.04982	9.7
83.08616	45.6
84.08965	4.9
85.02908	24.2
85.06535	7.0
87.04469	100.0
89.06030	16.8
91.05476	11.9
93.07040	18.0
95.04943	4.9
95.08611	47.1
96.08936	16.6
97.02914	5.2
97.06522	8.9
97.10166	70.5
98.97583	8.9
99.04450	26.0
101.06015	4.3
105.07017	11.6
107.08587	23.4
108.08938	5.5
109.10164	23.5
110.10472	10.6
111.04469	4.9
116.98616	6.9
117.05482	7.4
117.44019	4.1
119.08546	6.9
121.10130	9.7
122.06053	4.9
123.06770	6.8
123.08067	4.5
123.11706	9.2
124.12035	6.6
125.05995	4.4
125.09628	53.3
131.08525	4.2
134.99677	6.5
135.11655	9.4
136.07530	6.1
138.13586	7.6
143.10747	4.6
145.10097	11.0
147.08105	4.3
149.13202	4.6
153.12750	7.7
163.11182	17.0
173.11818	7.5
177.00748	6.9
197.07314	6.4
210.86250	4.1
229.16650	3.9
256.15048	7.7
276.20560	6.0
276.23221	25.8
294.21338	7.7
294.24319	38.2
294.28601	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	294.1449
Annotation	Phe-Ala-Gly
Peak:m/z	Relative Intensity
55.05501	2.1
56.05030	2.1
56.77777	0.9
56.96561	4.4
57.03421	4.0
58.06580	1.4
61.02919	1.6
67.05494	2.7
68.05045	1.4
69.03426	7.2
69.07054	3.9
70.06577	4.4
71.05002	1.8
71.57442	1.7
72.08134	1.7
72.93767	1.4
73.02906	1.7
73.06554	2.1
80.76937	1.0
81.03405	2.4
81.07041	1.6
83.04968	1.7
84.04509	23.5
84.08149	13.6
85.02910	16.3
85.06539	2.3
86.06076	2.3
87.04467	2.0
88.07639	2.3
88.35620	1.1
91.05466	1.2
93.07021	2.8
95.04970	1.7
95.08553	1.0
97.02905	7.5
97.06515	1.8
98.97593	8.8
99.04441	1.7
101.05974	1.8
101.07101	2.5
102.05554	1.4
103.03875	1.0
103.05464	5.0
107.04964	1.8
112.07597	1.9
114.09145	2.0
115.07571	2.6
116.98611	5.7
118.03242	3.5
120.08109	100.0
127.03908	4.8
128.98648	2.0
129.10246	2.8
130.05011	34.2
130.08554	1.4
131.04926	1.2
131.99655	1.3
132.10220	5.9
132.95798	1.5
134.99689	3.4
145.04967	4.5
146.99651	1.8
147.07648	40.1
147.11171	1.1
150.00752	1.8
150.96921	1.1
155.04678	2.1
158.99644	2.1
164.05153	2.1
165.04430	1.3
165.10254	2.4
168.05386	1.7
171.04147	1.5
174.00743	1.6
176.67853	1.0
176.98349	1.2
177.00720	5.5
177.06001	2.3
186.96852	1.4
192.01837	2.2
197.07256	1.3
199.21007	1.1
202.96492	1.1
204.08675	2.5
219.01721	2.4
237.02832	4.0
238.43433	1.2
248.13387	1.1
276.13458	1.9
277.11987	5.9
277.14728	1.1
294.09454	1.8
294.14536	14.5
294.17993	1.7
295.01501	1.1
309.08575	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2838
Annotation	SCHEMBL8161733
Peak:m/z	Relative Intensity
53.03936	1.7
55.01857	1.9
55.05508	22.2
56.96548	4.1
57.03419	1.1
57.06818	1.2
57.07074	14.4
59.04981	2.6
67.05503	35.2
68.45956	1.0
69.03411	2.4
69.07067	44.9
69.28062	11.7
71.04980	2.2
71.08623	5.6
79.05489	12.1
81.03402	1.0
81.07057	98.8
82.07413	1.5
83.04993	1.6
83.08618	25.1
85.06148	1.1
85.06544	11.4
85.10168	1.5
86.09696	4.6
87.04464	1.4
91.05483	6.5
93.07040	17.9
95.04956	4.3
95.08606	100.0
96.08900	1.5
97.06525	4.7
97.10171	12.5
98.21478	1.6
98.97587	4.7
98.98416	1.5
99.08086	8.4
105.06998	5.6
107.04933	1.8
107.08590	18.9
108.08868	1.2
109.06500	2.1
109.10154	49.0
111.08065	6.2
111.11703	9.3
113.09606	1.6
115.07590	0.9
116.98637	5.8
117.07050	1.9
119.08591	6.2
120.08080	4.5
121.06488	2.1
121.10133	13.3
123.08051	1.5
123.11713	34.1
125.09593	1.5
125.13235	3.9
127.11156	1.3
128.06160	1.2
129.06989	2.1
131.08511	2.7
133.10104	3.8
134.99678	7.2
135.08008	1.0
135.11697	8.9
137.09639	1.8
137.13255	53.9
139.11098	1.5
141.12735	1.6
145.06454	1.8
145.10141	2.3
147.07919	0.9
147.11662	1.8
149.02287	1.0
149.09647	1.7
149.13272	14.7
151.11197	1.4
151.14815	5.4
153.00685	2.6
153.12758	2.4
155.14275	1.2
158.01244	1.5
159.11639	1.1
161.09572	1.1
161.13222	1.8
163.14787	4.5
165.16354	2.4
167.14262	5.8
173.06001	1.3
175.07487	1.2
177.12666	1.0
177.16370	2.5
179.17924	2.4
180.10170	3.8
181.54062	1.1
191.18011	2.3
193.19418	1.5
218.81978	1.1
219.21065	1.8
223.20473	1.3
247.05991	1.4
275.05542	1.2
275.20102	5.8
275.27322	4.8
276.23254	1.5
293.03244	3.4
293.21210	4.8
293.24902	5.1
293.28336	45.0
294.24365	1.8
294.28958	1.9
311.04315	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2837
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01869	1.8
55.05510	20.1
56.05830	0.8
56.96559	3.8
57.03447	0.8
57.07074	15.3
59.04996	2.4
65.03940	1.0
67.05499	26.5
69.03442	2.1
69.07064	46.9
69.94643	0.8
69.94975	4.1
71.04990	3.8
71.08635	4.7
74.71230	0.7
79.05487	12.2
81.07052	90.6
82.07392	1.9
83.04987	2.0
83.08611	22.5
85.02919	1.2
85.06536	9.3
85.10184	1.3
86.09696	7.4
87.21885	0.7
91.05484	4.9
93.07039	18.0
94.07390	0.8
95.04971	4.6
95.08603	100.0
96.08931	2.1
97.06511	4.2
97.10166	14.6
98.97587	2.7
99.08082	7.0
105.07020	4.8
107.05001	1.3
107.08583	16.5
109.06512	1.7
109.10149	46.4
111.08077	4.9
111.11721	9.4
111.20261	0.7
113.09618	2.0
116.98632	2.3
117.07045	1.7
119.08555	4.4
120.08105	7.2
121.06483	1.2
121.10133	13.2
123.08080	0.9
123.11697	32.1
124.12111	0.7
125.09600	3.7
125.13258	3.4
127.03897	0.9
127.11155	1.3
129.06966	0.9
131.08545	2.0
133.10094	2.4
134.99641	4.2
135.08035	1.4
135.11691	10.2
137.09639	1.5
137.13251	56.6
138.13585	1.7
139.11159	1.8
139.14847	1.2
141.70110	0.7
145.10123	2.1
147.11661	2.4
149.01132	0.8
149.09616	1.3
149.13251	11.0
151.14828	6.2
153.00661	0.9
153.12698	2.2
155.14339	0.7
159.11681	1.6
161.13277	1.1
163.11188	0.8
163.14790	5.0
165.16351	3.2
167.14316	7.7
169.15854	1.2
173.05885	0.9
173.13200	1.5
175.14804	0.8
177.16382	3.0
179.17902	2.2
179.26987	0.6
180.10193	6.4
191.17950	1.9
193.19461	1.0
201.16428	0.8
205.19568	1.7
205.40967	0.7
219.20920	1.2
223.20561	1.0
237.22089	1.1
249.25726	1.4
257.22577	1.2
275.05435	1.4
275.20181	4.5
275.23566	1.2
275.27301	6.2
276.23352	1.0
283.08246	0.7
293.03104	2.9
293.06259	1.0
293.11755	0.8
293.18015	1.3
293.21060	5.1
293.24734	6.6
293.28302	44.6
294.24252	2.2
294.28601	2.7
311.04211	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
55.05511	8.3
56.96559	0.8
57.03434	2.2
57.07070	3.5
59.05003	0.8
67.05505	36.8
69.03423	2.1
69.07069	21.7
69.85322	1.3
69.85737	2.7
71.04993	3.9
71.08630	1.2
73.33833	0.5
79.05486	4.8
81.07054	27.1
83.04989	0.9
83.08624	10.7
85.02888	0.9
85.06544	2.2
87.04462	1.7
89.06069	1.0
91.05471	2.6
93.07048	9.1
95.04960	2.3
95.08609	13.1
97.06527	2.7
97.10167	2.0
98.97548	0.8
99.04455	0.9
99.08057	1.1
101.92715	0.6
103.03949	4.0
105.07037	3.1
107.07059	1.4
107.08587	8.4
109.06520	1.8
109.10155	100.0
110.10488	0.7
111.08089	1.6
111.11703	2.3
117.07046	1.0
119.07023	1.3
119.08542	3.6
120.08135	0.8
121.06499	0.7
121.10143	5.7
123.08086	1.5
123.11702	15.1
124.07582	0.7
125.09637	2.3
127.11189	11.7
131.08534	1.3
133.10135	2.7
135.08029	0.7
135.11707	4.2
137.09625	2.7
137.13240	3.0
139.11192	1.2
145.10187	1.8
147.06502	0.9
147.11700	2.0
149.09708	0.9
149.13269	3.0
151.11206	1.0
153.12805	1.4
155.10674	7.5
159.11679	1.2
161.13263	1.2
163.11208	0.9
163.14761	1.2
165.07596	1.1
165.12758	1.7
167.14294	1.2
173.11757	8.9
173.13184	1.3
175.14861	1.1
177.16365	1.3
187.14894	0.8
189.16408	0.8
193.15900	1.2
201.16235	0.9
207.17447	1.5
217.19510	1.0
219.17505	1.0
257.22610	1.9
275.20895	0.8
275.23703	4.6
293.21249	2.2
293.24728	29.5
293.28082	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	293.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	13.3
58.46705	4.2
67.05504	79.8
69.07060	11.3
71.09862	11.3
79.05474	14.5
81.07053	100.0
91.05509	8.3
93.07039	10.3
93.10889	4.2
95.08607	79.3
107.08605	9.5
109.10146	35.8
119.08566	9.7
123.11687	22.2
131.08568	5.7
132.43977	4.5
133.10104	8.0
159.11656	6.1
187.14862	5.6
226.07823	5.0
237.11130	8.1
243.20967	5.0
292.33060	4.8
293.24969	23.5
302.91162	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03947	2.1
55.01867	2.2
55.05510	12.4
57.07068	5.2
65.03928	1.7
67.05507	95.5
69.07069	13.9
70.28110	6.1
71.05019	1.9
79.05500	22.4
79.79479	1.5
81.03408	2.1
81.07059	100.0
82.07371	1.8
83.04975	4.0
83.08620	10.0
85.06527	4.0
91.05481	12.8
93.07037	22.9
95.04971	9.6
95.08607	87.7
97.03023	1.8
97.06528	3.7
97.10153	2.8
99.08102	2.4
105.07030	10.5
107.04948	3.3
107.08592	13.5
109.06520	5.6
109.10159	33.5
111.08058	2.9
117.06996	5.9
119.08590	14.1
121.06470	2.3
121.10128	12.8
123.08046	4.8
123.11715	19.9
125.09634	2.1
131.08542	11.8
133.10121	6.4
135.08058	3.1
135.11696	12.9
137.09637	4.7
137.13269	9.1
145.10126	7.9
147.11703	6.7
147.21208	1.9
149.09650	9.8
149.13254	6.3
151.11194	3.9
151.14859	6.8
156.40672	1.9
159.11685	8.4
161.13229	4.7
163.11192	8.0
163.14825	2.6
165.12767	2.7
167.10751	1.7
173.13237	9.0
175.14827	2.3
177.12788	5.6
177.16420	2.9
181.12254	2.1
183.11775	2.2
191.14343	3.2
197.13174	2.1
223.30261	1.8
229.19444	2.5
233.42915	1.7
237.11258	4.1
237.18784	1.8
239.17982	2.9
243.21033	7.0
257.18994	5.5
261.22159	6.9
275.20099	32.2
293.21121	12.7
293.24747	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	293.2474
Annotation	Methyl alpha-Eleostearate
Peak:m/z	Relative Intensity
53.03945	1.5
53.38997	0.7
55.01870	1.9
55.05258	1.4
55.05510	15.6
56.96570	2.0
57.03424	3.4
57.07071	7.0
59.04990	2.5
64.52377	0.9
67.05505	31.6
68.83298	0.7
69.03438	4.5
69.07066	32.1
69.24824	0.7
69.59151	1.7
69.59557	5.4
71.04985	8.1
71.08630	2.2
79.05495	12.0
81.03397	1.3
81.07056	100.0
83.04974	4.3
83.08624	9.6
85.02892	4.9
85.06530	5.8
86.06065	1.2
91.05466	6.6
93.07038	21.1
93.48673	0.8
95.04983	5.0
95.05465	0.9
95.08607	44.6
97.02863	1.1
97.06519	6.2
97.10166	9.8
98.20745	1.4
98.97546	1.0
98.98470	1.6
99.08066	1.5
105.07022	10.4
107.04955	1.5
107.08590	21.8
109.06544	5.1
109.10153	47.5
110.56437	0.8
111.04485	1.4
111.08080	5.1
111.11716	3.0
113.06036	1.5
116.98605	1.2
117.06980	1.9
119.08563	8.5
121.06550	1.2
121.09317	1.3
121.10150	19.4
123.04453	0.8
123.08061	2.3
123.11706	55.0
125.09608	5.6
125.13223	1.2
127.03925	1.1
127.07589	1.6
127.11167	3.8
129.05473	1.9
131.08534	3.3
133.06499	1.0
133.10103	8.6
134.99661	1.4
135.07991	2.0
135.11687	13.8
137.09631	4.0
137.13264	8.8
139.11165	3.2
141.12730	3.6
145.10150	5.0
147.11694	7.9
149.02397	1.2
149.09590	2.6
149.13268	5.6
151.11200	4.6
153.05424	1.4
153.12723	3.8
157.10126	1.1
158.39476	0.7
159.11729	4.3
161.13263	2.5
163.07474	1.5
163.11182	2.3
163.14830	2.8
165.12776	3.4
167.10657	1.6
167.14316	1.1
169.12262	2.9
173.11745	2.2
173.13272	2.8
175.11014	0.9
175.14714	1.5
177.00607	0.9
177.16360	2.4
179.10368	0.9
179.14285	1.3
181.12245	1.1
187.13278	8.6
187.14850	2.1
189.16405	1.0
191.17874	1.8
201.16364	2.6
207.17604	1.0
219.17517	1.7
229.19539	1.1
237.14685	1.1
247.24377	0.9
257.10559	1.1
257.19012	1.3
257.22702	2.8
272.10898	1.6
275.20377	7.0
275.23541	9.1
287.45554	1.0
293.11847	1.6
293.17902	1.5
293.21140	9.4
293.24731	45.6
294.14105	2.8
294.24796	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	293.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18103	1.2
53.03943	2.8
55.01878	11.6
55.05513	24.3
56.96560	3.7
57.03426	3.4
57.07069	4.4
59.05002	2.3
65.03916	1.6
67.05173	1.7
67.05511	31.4
69.03414	3.7
69.07072	20.3
70.81155	4.0
71.04989	3.9
79.05496	41.3
81.03419	5.4
81.06582	2.4
81.07059	39.7
82.07422	1.7
83.04984	5.9
83.08633	15.1
84.08999	1.3
85.06553	4.0
91.05485	28.0
91.62366	1.3
92.69691	1.1
93.07053	27.7
95.04964	12.2
95.08617	25.2
97.06529	17.0
97.10177	15.4
98.97605	1.6
99.08086	1.8
101.05998	1.8
105.07034	34.7
107.04961	7.5
107.08600	85.5
109.06519	12.8
109.10162	14.6
111.08086	4.7
115.05377	1.3
117.07002	8.1
119.08571	17.4
121.06557	4.2
121.10164	16.7
123.08092	4.3
123.11731	4.7
125.09621	15.8
129.07002	3.3
131.08569	9.8
133.10138	19.2
135.08070	5.3
135.11719	7.3
137.09593	3.9
139.11131	1.3
141.06987	1.8
143.08572	4.3
145.10130	13.3
147.08083	1.6
147.11687	12.6
149.01239	2.4
149.08536	2.2
149.09622	18.6
149.13235	3.6
151.11215	7.6
153.12715	2.6
157.10132	3.3
159.11646	8.5
161.13263	5.4
163.07983	1.5
163.11235	6.6
165.09081	2.8
165.12808	1.5
167.02356	1.4
171.10321	1.8
171.11676	3.1
173.11945	1.4
173.13290	4.9
175.09723	1.6
175.11137	1.9
177.12766	4.2
181.12247	2.1
183.11726	1.6
187.11148	3.0
189.11264	11.2
217.15926	1.2
223.13396	3.0
229.07509	4.9
229.19505	3.5
232.87148	1.2
233.15375	2.6
239.17995	5.0
247.08539	6.4
247.20639	4.4
257.19046	11.7
275.20084	100.0
276.20560	3.5
285.10062	2.1
293.13284	6.9
293.21155	27.7
293.28308	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
53.03938	4.2
54.66615	1.4
55.00937	1.6
55.01876	11.0
55.05262	2.5
55.05513	35.6
56.87780	2.0
56.96576	3.6
57.03431	3.9
57.07072	8.7
65.03936	2.2
67.05506	54.6
69.03422	5.0
69.06723	2.9
69.07073	42.7
71.00601	4.7
71.04993	6.4
79.05495	47.4
79.05956	2.4
81.03413	5.4
81.07059	79.6
82.07384	2.6
83.04975	8.1
83.08622	25.0
85.02889	3.1
85.06540	6.6
85.10174	1.9
91.05482	30.8
93.07044	43.9
95.04988	12.8
95.08611	61.8
96.08919	2.5
97.06523	15.2
97.10174	22.9
98.97620	2.7
99.08067	4.1
99.41506	1.7
105.07035	38.3
107.04950	7.1
107.07867	3.8
107.08596	75.4
107.21198	1.7
109.06540	12.7
109.10155	36.9
111.08105	8.9
111.11705	2.5
113.09687	2.6
117.07030	6.3
119.08580	29.6
121.06496	4.1
121.10142	25.3
123.08085	7.9
123.11707	17.8
125.09614	13.6
125.13299	2.3
127.07684	1.5
129.06952	3.2
131.08563	11.2
133.06441	1.9
133.10114	27.3
135.08052	8.0
135.11676	14.5
137.09627	8.2
137.13239	6.8
139.11140	5.0
143.08546	3.3
145.10147	14.7
147.08047	2.5
147.11694	16.9
149.01064	1.9
149.09645	17.3
149.13251	11.3
151.11189	6.0
153.12682	2.6
157.10162	5.7
159.08096	1.7
159.11714	6.4
161.09651	3.1
161.13278	7.1
163.11166	6.2
163.14876	2.7
165.09108	1.7
165.12779	3.5
167.14297	3.2
169.10179	2.6
171.11771	3.2
173.11862	2.3
173.13313	7.6
175.11195	2.8
175.14859	2.5
177.12805	4.0
177.16426	2.4
181.12256	1.9
183.11716	2.1
187.11182	3.3
189.11250	8.1
189.12750	3.1
191.14398	2.9
193.12263	2.7
197.13297	3.7
205.15913	3.2
207.13788	1.8
215.14247	2.1
219.13794	3.3
223.13298	1.7
229.19550	4.0
238.35820	1.9
239.17970	7.3
247.16960	1.8
247.20616	6.8
249.25851	1.8
257.19070	13.7
267.08966	2.1
270.12628	3.4
273.15228	1.8
275.20056	100.0
285.10117	4.9
293.11725	2.4
293.21133	38.2
293.24704	10.0
293.27844	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	293.2109
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
54.23712	1.9
55.01871	2.7
55.05506	15.2
57.07053	2.5
58.35272	1.9
58.84092	1.9
65.03916	2.7
66.29084	2.2
67.05505	95.7
69.03431	2.4
69.07072	14.1
70.23880	8.8
71.04974	2.4
73.60868	2.2
79.05493	25.2
81.07056	100.0
83.04955	4.2
83.08623	13.4
85.06547	4.2
91.05489	15.8
93.07047	32.0
95.04935	10.8
95.08607	78.8
97.06520	8.7
97.10176	5.5
105.07024	17.7
107.05006	2.3
107.08607	19.6
109.06523	3.7
109.10159	38.5
109.10846	4.2
111.08053	4.0
117.07018	5.7
119.08570	15.7
119.80836	2.2
121.06510	2.6
121.10132	19.1
123.08072	3.7
123.11709	15.8
125.09595	5.5
131.08565	14.5
133.10136	16.9
135.08043	5.2
135.11685	12.4
137.09612	5.8
137.13252	9.3
139.11111	2.1
143.08641	2.5
145.10120	14.6
147.11685	10.0
149.09613	13.7
149.13255	4.6
151.11217	7.9
151.14812	6.5
159.11707	13.7
161.13251	6.4
163.11197	13.8
165.12721	5.6
169.10136	2.6
173.13254	6.3
175.14864	2.9
177.12727	7.0
177.16475	2.5
179.14355	2.9
183.11653	2.5
187.14815	5.9
191.14392	3.9
219.21153	2.7
229.19469	3.2
237.18654	2.4
239.17949	11.0
243.21153	8.4
246.48180	2.1
247.20641	3.7
257.19006	15.4
261.22156	9.4
275.20081	60.9
275.22906	2.3
276.20367	2.7
291.16446	2.1
293.21112	16.6
293.24774	14.2
302.32861	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03749	1.3
53.03946	15.9
55.01639	1.3
55.01871	9.4
55.05510	49.7
57.03422	2.3
57.07066	2.5
58.13239	1.3
65.03930	1.7
67.05502	37.4
69.03412	1.4
69.07067	17.4
70.73868	2.4
71.04980	3.7
79.05074	1.5
79.05493	25.8
81.03416	35.5
81.06583	2.0
81.07054	35.5
83.04977	7.0
83.08617	65.0
85.06554	2.4
91.05473	27.4
93.06475	1.7
93.07037	22.0
95.01318	1.8
95.04962	23.2
95.08606	21.4
97.06516	5.8
97.10170	2.7
101.59013	1.5
105.07028	14.5
106.86037	1.1
107.04950	27.2
107.08595	13.4
108.17086	1.2
109.06479	5.8
109.09458	1.2
109.10156	3.4
111.08082	15.9
117.07031	9.3
119.08576	13.8
119.59571	1.0
119.86044	1.2
121.06482	4.7
121.10135	19.8
123.04436	2.1
123.08061	4.0
129.06976	5.4
130.07718	1.7
131.04898	3.3
131.08536	8.3
132.54111	1.3
133.10135	9.1
135.08061	3.0
135.11679	10.0
139.11201	1.4
141.06892	1.2
145.06462	7.9
145.10120	20.6
147.11690	10.2
149.09627	13.8
149.13239	1.8
151.11208	1.9
155.08543	7.6
157.10165	1.3
159.11693	7.5
161.13271	2.5
163.11188	26.3
165.12755	7.9
173.09624	18.1
173.13248	3.8
175.11182	2.7
177.12743	1.9
179.38824	1.2
181.12175	1.9
183.11711	1.8
187.11185	1.4
191.10707	6.8
201.12741	2.5
205.12144	1.8
207.13736	1.4
208.62442	1.2
209.11679	2.2
227.12903	1.6
229.19490	1.5
236.60934	1.4
239.17923	2.4
247.20587	2.6
257.19034	5.5
275.20068	33.5
283.60764	1.4
293.21106	100.0
294.21591	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03924	4.6
55.01869	13.8
55.05510	44.9
57.03444	3.7
57.07055	4.5
58.05289	3.2
66.79270	2.5
67.05505	34.9
69.03410	2.8
69.07061	19.6
70.90496	6.4
71.05003	3.1
71.76546	2.5
79.05494	54.3
81.03434	8.0
81.07056	65.8
83.04543	2.5
83.04990	15.9
83.08627	27.3
83.76188	2.9
87.77121	2.4
91.05479	23.3
93.07050	32.0
95.04974	17.8
95.08606	22.3
97.06536	31.8
97.10170	11.5
103.05464	2.5
105.07027	27.3
107.04948	22.0
107.08587	36.0
109.06531	17.8
109.10145	13.2
111.08092	4.1
117.07014	7.6
117.46508	3.0
119.08580	20.7
120.41343	2.7
121.06546	4.1
121.10155	13.4
123.08057	5.5
123.11729	5.8
125.09649	10.0
131.08594	11.5
133.10109	20.9
135.08047	12.0
135.11662	3.1
137.09651	3.6
138.94609	3.1
145.10117	16.4
147.08066	2.8
147.11646	13.3
149.09616	35.2
151.11177	4.8
159.11688	9.0
163.11237	7.7
165.12708	2.9
171.11716	3.7
173.13309	5.1
174.25861	2.5
179.14317	3.4
189.11205	13.9
191.10510	3.2
193.12206	5.2
197.51636	2.7
209.11751	3.1
209.15480	4.3
211.13354	4.4
223.13359	4.4
229.19453	5.1
232.03928	2.9
237.11224	8.1
237.14992	3.3
239.18159	4.0
247.20609	3.6
254.99980	3.0
257.19019	11.5
275.20059	100.0
276.20398	4.5
293.21106	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2112
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03952	4.1
55.01873	12.6
55.05510	52.3
57.03438	3.1
61.56598	1.6
64.02695	1.8
64.43922	2.0
67.05507	42.6
69.03432	4.0
69.07070	14.4
69.47896	11.9
69.48309	4.5
71.04980	4.5
75.44760	1.7
76.00929	1.8
79.05494	88.4
81.03410	5.5
81.07056	32.2
83.04982	25.9
83.08632	17.5
85.06528	2.3
91.05486	29.2
93.07044	40.5
95.04968	10.0
95.08598	14.4
97.06555	9.3
97.10165	25.5
98.20756	4.1
105.07028	29.5
107.04962	39.2
107.08595	62.8
109.06509	6.0
109.10159	20.5
111.08146	2.2
117.07011	9.5
119.08577	20.5
121.06496	4.2
121.10151	21.6
123.08106	3.8
123.11722	5.0
125.09634	23.6
131.08580	10.3
133.10146	20.7
135.08069	8.7
135.11691	4.4
145.10129	8.9
147.11707	15.5
149.09628	78.8
149.13235	2.3
153.09142	4.5
157.10124	2.2
159.11708	11.3
161.13275	5.4
163.14915	3.1
169.12244	5.6
171.10229	3.7
171.11655	3.5
173.11876	3.9
173.13312	5.6
177.12720	2.7
183.11707	2.4
187.11186	2.4
187.13214	2.3
189.11226	22.6
189.12764	3.2
191.14185	2.2
209.15434	6.3
217.60516	2.0
229.19606	7.5
233.15483	2.1
237.11310	2.3
257.18997	15.9
275.20074	100.0
276.20480	3.4
293.21103	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	293.2111
Annotation	12-OPDA
Peak:m/z	Relative Intensity
53.03936	2.6
55.01857	5.3
55.05512	12.9
57.03434	2.0
57.07073	2.0
67.05501	17.6
69.03425	2.0
69.07066	16.8
69.87788	3.5
69.88188	3.7
71.04980	2.1
71.08637	2.6
79.05482	13.9
81.03423	2.3
81.07048	25.1
83.04958	4.6
83.08610	5.7
85.06510	2.1
91.05480	15.6
93.07038	18.8
95.04955	9.5
95.08604	16.1
97.06530	4.7
97.10145	3.5
105.07020	19.5
107.04943	5.4
107.08596	12.4
108.05687	1.8
109.06525	7.7
109.10163	8.2
117.07017	5.7
119.08575	12.9
121.06518	11.3
121.10155	8.1
122.26787	1.3
123.08051	5.0
123.11694	2.1
125.09617	1.7
129.06938	1.3
131.08545	10.1
133.10123	15.0
135.08037	3.7
135.11674	4.4
137.09630	2.4
143.08548	2.3
145.06477	1.5
145.10109	8.6
147.08008	1.8
147.11667	10.0
149.09616	5.1
149.13278	1.8
151.11188	8.0
153.52122	1.4
154.35686	1.4
157.10107	2.0
159.11684	6.3
161.09625	1.6
161.13252	2.1
163.11168	5.6
165.12747	2.5
165.77104	1.4
168.47983	1.2
171.11731	2.2
173.09691	1.7
173.13257	4.9
175.11299	2.5
177.12808	2.4
183.11687	1.5
191.14368	2.3
201.12805	2.8
207.13817	1.8
215.17932	1.4
219.13921	2.8
229.19627	1.6
231.84348	1.3
237.14909	1.4
239.17967	2.3
247.20621	2.3
257.19019	11.9
275.20056	84.6
276.20490	2.5
293.21109	100.0
294.21469	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	293.2109
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.62878	2.2
53.03952	5.1
55.01866	14.0
55.05510	83.7
57.03421	9.7
57.07071	5.7
67.05504	54.1
67.05858	1.8
67.93607	2.5
69.03432	8.7
69.07069	27.9
70.03598	12.5
71.05003	3.4
72.95475	2.7
75.02378	2.5
79.05493	54.8
81.03400	7.8
81.07056	75.2
83.04967	13.7
83.08620	44.3
85.02920	2.5
85.06561	4.3
91.05472	32.9
93.07041	35.1
95.04970	31.1
95.08604	26.9
97.06532	6.1
97.10168	87.6
99.08146	3.5
105.07031	28.6
107.04969	7.9
107.08595	51.7
109.06523	18.5
109.10157	18.9
111.08108	8.0
111.94441	2.7
114.17676	2.6
114.33633	2.5
117.07001	17.5
119.08574	24.0
120.08913	3.4
121.06510	5.2
121.10150	22.4
123.08073	13.2
123.11710	6.4
125.09626	72.7
131.08568	25.4
133.10132	23.5
135.08046	12.6
135.10811	2.7
135.11743	9.6
137.09625	5.3
143.08534	5.3
143.10689	5.7
143.58994	2.7
145.06525	2.6
145.10132	20.9
147.08043	5.1
147.11700	11.3
149.09613	15.2
149.13394	3.4
153.09181	3.1
153.12749	3.4
157.10168	5.1
159.11699	7.1
161.09599	3.1
163.11227	11.9
165.12752	5.0
169.10179	3.5
171.10263	6.5
171.11674	2.9
173.13260	6.3
175.11232	3.5
177.12801	5.0
181.12248	3.8
183.11871	4.2
187.14845	3.4
189.11212	83.3
193.12259	4.8
194.08168	3.5
197.13277	4.2
201.16505	3.0
215.14326	2.9
220.12939	2.8
223.13382	9.8
229.19658	3.0
233.15314	4.0
237.11281	3.5
237.14868	2.8
239.17986	3.6
247.20503	5.1
257.18997	13.0
262.87097	2.4
271.41113	2.5
275.20074	91.1
276.20352	4.9
278.33682	2.4
282.63672	3.0
293.21115	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	293.211
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03940	5.0
55.01874	9.2
55.05510	25.0
57.03426	5.2
57.07072	2.2
65.03928	1.9
67.05504	42.2
69.03426	2.5
69.07067	20.4
70.39657	4.1
71.04982	3.7
79.05486	40.2
81.03413	5.3
81.07056	100.0
82.07375	2.5
83.04983	6.4
83.08620	13.9
84.49933	1.3
85.06535	4.2
91.05472	34.0
93.07047	34.0
95.04967	17.5
95.08607	32.7
97.06513	10.6
97.10172	6.0
99.08076	2.1
105.07028	36.2
107.04948	8.8
107.08588	21.6
109.06520	28.1
109.10143	16.6
110.34628	1.3
111.08079	5.2
117.07004	10.2
119.08578	35.6
121.06508	4.6
121.10142	14.1
123.08063	10.9
123.11715	7.8
125.09632	2.8
129.07018	3.1
131.08577	15.7
133.06525	2.6
133.10127	26.6
133.11081	2.1
135.08067	6.1
135.11665	7.2
137.05978	3.4
137.09621	7.4
143.08585	3.2
145.10120	14.4
147.10657	1.4
147.11713	16.7
149.09619	9.8
149.13313	3.7
151.11192	4.0
155.08597	2.5
157.10164	4.5
159.11655	9.9
161.09735	1.9
161.13283	3.5
163.11191	10.9
165.12756	3.1
171.11714	3.1
173.13338	4.9
175.11226	4.0
175.14740	1.4
177.12758	2.4
179.10730	1.9
183.11742	1.8
187.14828	2.3
189.11247	1.4
193.12334	1.5
197.13280	2.7
203.14214	1.8
213.16417	1.5
223.13252	2.8
229.19501	5.6
233.15184	1.4
239.17941	4.8
247.20598	5.9
257.19031	11.1
265.21674	1.9
275.20053	92.9
276.20331	4.8
293.21085	44.1
294.21381	2.9
299.83334	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	293.2112
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03941	3.8
55.01885	13.2
55.05513	25.5
57.03432	6.6
57.07087	10.7
62.85025	2.5
63.49955	1.9
63.84508	2.0
65.03940	2.4
67.05509	31.0
69.03426	4.3
69.07075	16.3
71.05000	4.5
71.33368	3.7
79.05500	40.8
81.03416	3.5
81.07061	40.5
83.04998	3.7
83.08620	15.9
85.06537	5.7
86.24508	2.0
91.05486	35.4
93.07035	27.4
95.04990	13.4
95.08611	23.5
97.06513	11.6
97.10182	11.6
105.07042	37.8
107.04965	7.2
107.07868	4.0
107.08601	80.7
109.06521	15.9
109.10160	9.9
111.08102	3.1
117.07028	8.8
119.08589	28.1
121.06508	3.3
121.10158	15.1
123.08070	6.0
123.11735	3.7
125.09632	16.3
125.86173	1.8
127.11192	1.9
129.07022	4.9
131.08557	15.1
133.10130	21.6
135.08044	3.4
135.11714	6.6
137.05908	2.5
137.09634	3.8
143.08543	3.8
145.10130	19.4
147.11693	15.6
149.09608	18.1
151.11229	5.9
157.10152	5.1
159.11707	12.6
161.09680	3.2
161.13348	3.7
163.11197	18.3
163.52606	2.1
164.72391	1.9
171.11765	4.1
173.13330	5.3
175.11212	4.1
175.14844	3.1
181.12421	2.2
185.13301	2.7
187.11189	4.9
187.14885	3.8
189.11230	7.8
191.10675	4.8
201.12825	6.6
201.16322	2.7
203.14264	3.2
205.12251	2.9
215.14345	4.1
219.17426	9.7
221.15387	7.4
223.13222	3.8
228.01328	2.3
229.16010	3.3
229.19441	2.9
237.11197	4.3
239.17955	5.5
247.16946	5.6
247.20724	2.8
257.15240	2.5
257.19061	13.6
275.16553	16.6
275.20050	100.0
276.20425	3.6
293.17810	4.6
293.21094	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
50.55939	1.1
51.83697	1.1
53.03936	1.6
55.01870	13.2
55.05508	13.9
57.07066	1.7
62.52809	1.3
63.93113	1.2
64.98472	1.1
67.05502	17.0
67.63509	1.2
69.07076	6.3
70.20523	5.5
71.04996	1.2
72.42088	1.4
79.05495	21.7
81.03423	3.4
81.07055	19.4
83.04984	3.1
83.08616	5.3
85.06543	1.5
91.05483	11.8
93.07034	12.2
94.04160	1.7
95.04972	12.1
95.08604	9.9
97.06518	15.5
97.10149	7.6
105.07019	15.5
107.04948	4.5
107.08601	27.9
109.06528	7.8
109.10161	5.9
111.04465	1.4
111.08052	1.7
117.07018	3.4
119.08576	9.2
121.06552	2.4
121.10139	2.8
122.03649	5.8
123.08064	2.2
123.11716	4.0
125.09621	6.3
125.92479	1.2
129.07031	2.1
131.08554	5.3
132.39314	1.3
133.10104	8.6
135.08058	1.8
135.11681	3.7
137.05977	100.0
137.09637	1.8
143.08540	1.4
145.10152	5.9
147.11671	7.1
149.09613	9.6
149.13234	1.3
151.11165	5.0
159.11679	2.6
161.13290	2.3
163.11171	5.5
170.15417	2.2
173.13229	2.8
177.12865	1.7
189.11256	4.6
223.13351	3.8
229.19533	2.4
233.34389	1.2
237.11247	1.5
242.19022	1.4
247.20720	2.0
257.18991	4.6
275.20038	42.6
293.21082	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
53.03951	2.8
55.01876	9.2
55.05510	29.5
57.03436	5.0
57.07080	2.1
65.02491	1.4
67.05174	2.4
67.05507	32.6
69.03425	2.4
69.07066	19.8
70.66581	5.1
71.05010	3.2
79.05495	42.5
80.36061	1.4
81.03420	6.1
81.07060	40.9
81.07522	3.2
83.04986	6.0
83.08614	18.5
85.06538	3.5
91.05482	31.0
93.07047	34.8
95.04971	45.6
95.05560	3.2
95.08605	25.6
97.06528	8.5
97.10171	15.7
99.08113	1.8
105.07029	33.4
107.04965	6.5
107.08602	57.0
109.06528	12.3
109.10153	10.8
111.04453	2.3
111.08122	5.2
111.17120	1.2
117.07001	10.1
119.08580	29.8
121.06510	4.4
121.10145	15.3
123.08089	5.1
123.11753	3.6
125.09612	13.4
129.07005	3.2
131.08575	15.7
133.10132	19.6
135.08070	4.0
135.11671	7.4
137.09607	5.5
143.08591	3.9
145.10121	19.9
146.36903	1.5
147.08047	4.0
147.11705	15.7
149.09622	26.7
149.13304	2.0
151.11209	4.3
157.10153	4.2
159.11717	12.9
161.09593	3.1
161.13295	5.7
163.11183	15.6
163.14844	2.1
165.12691	2.0
169.10167	4.1
171.11765	1.6
173.13292	4.6
175.11179	1.8
177.12738	3.2
181.05042	2.5
183.11679	3.2
185.13268	4.5
187.11217	3.5
189.11253	7.9
191.10715	2.5
197.13397	2.0
203.14362	4.0
205.12204	3.4
209.11761	3.0
215.17964	1.8
219.17477	8.0
221.15425	5.6
223.13330	20.1
229.19589	3.3
237.11205	5.8
239.18011	5.4
245.88754	1.6
247.20619	4.5
257.19019	11.5
275.20071	100.0
276.20453	5.3
278.10855	1.6
293.17831	2.3
293.21094	45.4
294.21448	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	293.2111
Annotation	9-OxoOTrE
Peak:m/z	Relative Intensity
55.01871	10.4
55.05512	16.2
56.96562	2.1
57.03442	9.3
67.05504	20.6
67.58636	1.6
69.07067	14.4
69.45562	18.0
71.04964	3.2
79.05497	34.1
81.03424	6.6
81.07059	32.6
83.04984	5.7
83.08623	13.9
85.06512	4.5
91.05475	26.6
93.07051	39.4
95.04958	10.9
95.08614	19.7
97.06533	11.4
97.10181	11.8
99.08105	2.5
105.07037	33.8
105.07724	1.3
107.04978	6.1
107.08600	61.9
109.06546	4.7
109.10182	8.1
111.08047	2.4
117.07032	8.1
119.08585	29.4
121.06536	3.6
121.10192	11.4
123.08074	3.3
123.11749	2.1
125.09674	9.0
129.07062	3.9
131.08569	12.2
133.10132	23.1
135.08080	4.0
135.11700	4.5
137.09644	2.0
137.12076	2.0
143.08568	4.8
145.10120	13.6
147.08023	2.6
147.11710	14.6
149.09618	14.6
151.11197	5.6
157.10124	3.1
159.11656	11.4
161.13251	9.1
163.11195	7.2
173.09743	1.8
173.13298	4.8
175.11143	3.1
175.14879	3.3
185.13306	11.2
189.11259	9.0
201.16458	3.3
202.41722	1.7
203.14264	11.3
219.17470	15.9
221.15419	13.5
229.19666	3.0
237.11256	3.0
239.17935	8.6
247.20786	2.5
257.19009	17.6
275.20081	100.0
276.20462	3.5
293.21167	22.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2109
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.63165	1.3
53.03928	4.8
55.01869	7.4
55.05509	19.9
55.74420	1.5
56.96560	5.2
57.03432	4.3
57.07065	3.7
60.53058	1.5
60.53603	1.6
65.03942	1.8
67.05506	34.8
69.03426	2.7
69.07066	21.6
69.58183	12.9
71.04984	5.0
79.00611	1.5
79.05492	43.9
81.03407	5.4
81.07056	81.7
83.04971	6.2
83.08607	13.1
85.06540	3.9
91.05479	28.5
93.07038	31.4
95.04967	11.9
95.08599	34.5
96.63245	1.3
97.06512	12.1
97.10167	9.9
98.97584	1.6
99.08077	2.0
105.07024	29.8
107.04957	7.9
107.08595	67.3
109.06518	22.8
109.10141	15.5
111.08064	7.4
117.06992	9.4
119.08564	29.1
121.06521	3.1
121.10140	12.7
123.08060	8.7
123.11691	7.4
125.08805	2.2
125.09605	10.3
129.07014	4.5
131.08556	12.7
133.10124	23.2
135.08066	5.4
135.11687	8.3
137.09622	5.1
137.13255	4.6
139.11127	3.1
140.65430	1.8
143.08572	3.4
145.10115	14.0
147.08139	2.0
147.11696	19.4
149.09639	14.7
149.13284	3.4
151.07585	2.0
151.11185	6.1
152.07852	3.7
157.10127	6.2
159.11696	9.6
161.09645	2.8
161.13246	6.8
163.10037	1.7
163.11104	8.4
165.12741	2.8
171.11719	3.8
173.13306	6.5
175.11189	3.6
177.00851	1.6
177.12726	2.6
181.12341	1.9
183.11661	2.1
185.13206	4.0
187.14905	2.3
189.11217	9.7
191.14297	2.3
193.12216	4.4
197.13187	2.4
201.12704	1.8
201.16345	2.4
203.14340	3.0
208.14168	2.0
209.14645	3.2
215.14189	2.2
215.17885	1.5
219.17537	5.3
221.15314	2.6
229.19542	2.9
235.15958	1.8
239.17953	6.9
247.20479	3.3
257.18893	11.3
275.20044	100.0
276.20377	2.3
288.11966	2.3
292.62491	1.6
293.21014	36.0
293.24719	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	293.2111
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
51.37713	1.0
53.03941	2.4
54.25655	0.9
55.01865	3.2
55.05506	17.2
56.42492	1.0
56.96554	2.7
57.03437	7.9
57.07061	2.2
59.04971	1.8
67.05165	1.6
67.05502	19.8
69.03422	1.8
69.07068	10.8
70.22270	4.4
71.04993	2.3
79.05492	38.0
80.58344	1.0
81.03414	2.1
81.07057	22.2
83.04964	3.8
83.08614	9.8
85.06550	4.6
91.05483	31.5
93.07045	32.9
95.04972	7.5
95.08609	16.9
97.06509	2.8
97.10173	9.0
98.97573	1.1
99.08121	1.2
105.07034	34.6
106.07337	1.0
107.04952	2.9
107.08595	88.3
108.08940	1.7
109.06522	9.4
109.10151	6.2
111.08091	2.9
117.07040	7.2
119.07788	1.8
119.08578	23.3
121.06494	1.7
121.10149	8.6
123.08061	3.8
123.11704	2.1
125.09620	9.2
127.07642	1.0
129.06937	4.4
131.08563	11.1
133.10124	17.4
135.08070	2.9
135.11697	4.4
137.09612	2.9
143.08600	4.6
145.10117	15.3
147.08086	2.0
147.11679	14.3
149.01222	2.3
149.09590	6.2
149.13260	2.1
151.11198	2.1
153.09123	1.4
155.08583	1.5
157.10130	4.2
159.11699	10.0
161.09579	2.2
161.13243	6.2
163.11220	3.4
169.10068	1.5
171.11739	2.1
173.09578	0.9
173.11891	1.0
173.13269	3.4
175.11180	1.9
175.14847	2.3
181.12250	2.6
183.11655	4.3
185.13268	10.8
187.11201	1.2
189.11229	9.7
191.14392	1.6
197.13284	1.7
201.16379	1.8
203.14360	10.2
219.17397	6.7
221.15359	17.3
229.19485	2.7
239.17798	6.3
244.09642	4.8
252.09483	1.4
257.19031	14.6
275.20062	100.0
276.20410	2.8
293.21039	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	293.211
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.02357	3.6
53.03946	30.1
55.01865	16.7
55.05518	28.6
57.03438	5.2
63.70343	3.4
67.05508	47.7
69.07074	41.7
70.07494	15.4
79.05499	37.6
79.55682	3.4
79.88154	3.3
81.03417	53.9
81.07056	82.0
82.48345	3.2
83.04989	11.4
83.08619	11.8
91.05479	68.6
93.07050	44.4
95.01343	12.3
95.04967	19.0
95.08616	46.9
97.06556	21.3
97.10173	8.5
105.07033	100.0
107.04959	29.6
107.08597	22.7
109.06532	9.6
109.10183	7.7
117.07021	14.9
119.08575	43.1
121.06508	4.6
121.10158	10.8
123.08069	14.3
125.09640	7.2
129.06985	4.0
131.08553	27.2
133.10129	47.7
135.08005	5.9
135.11702	11.3
137.09586	3.7
141.07005	4.8
143.08545	5.0
145.06493	8.6
145.10110	21.7
147.11633	19.4
149.09630	10.1
149.13264	9.5
151.11209	7.9
157.10156	5.5
159.08055	5.2
159.11740	15.0
161.13232	5.9
163.11247	6.5
169.10143	6.0
177.12756	8.3
179.14352	13.6
187.11171	8.9
195.13824	4.2
205.12236	3.9
241.14369	8.2
257.18930	8.6
259.64423	3.8
263.94818	3.3
266.31027	4.0
275.20081	93.5
293.21167	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	293.1383
Annotation	40321-98-0
Peak:m/z	Relative Intensity
53.03944	1.7
55.01888	0.7
55.05513	27.4
56.96571	1.4
57.03416	1.0
57.07069	1.5
65.03938	1.8
67.05510	8.3
69.03432	1.5
69.07067	7.5
71.04987	1.9
73.06174	0.7
73.06557	10.3
77.53761	0.5
79.05491	5.2
81.03399	1.0
81.07053	13.4
83.04969	1.5
83.08617	1.6
85.02923	0.8
85.06533	1.5
86.09699	3.5
91.05480	7.7
93.03384	0.7
93.07054	5.2
95.04987	3.2
95.08608	8.3
97.06535	1.8
97.10183	1.4
98.20713	1.1
98.97581	0.8
99.04421	1.0
99.21796	0.6
103.05488	1.0
105.07043	4.4
107.04955	1.3
107.08601	5.4
109.02940	0.6
109.06519	2.4
109.10155	7.6
111.04408	0.8
111.08094	1.0
111.11792	0.7
114.60235	0.6
115.05453	2.0
116.06296	0.6
116.98656	0.6
117.07014	3.5
119.08575	4.8
120.08109	1.9
121.02876	5.4
121.06487	0.9
121.10133	3.6
123.08032	1.3
123.11705	4.1
125.09626	1.6
128.06216	1.2
129.06995	3.6
131.08591	5.5
133.10107	2.8
135.08049	1.1
135.11696	3.4
137.09605	1.3
137.13246	1.2
139.03859	0.6
139.11203	0.9
143.04910	1.8
143.08546	0.9
144.05684	0.6
145.06494	1.5
145.10130	2.0
147.08064	1.9
147.11681	1.9
149.02344	100.0
149.09621	1.3
149.13257	1.8
150.02713	1.3
151.11189	1.1
153.12750	0.6
157.06454	1.0
157.10071	1.2
159.08051	0.7
159.11653	2.2
161.05968	6.3
161.09561	0.8
161.13260	1.0
163.11241	1.0
165.12730	0.8
167.03435	1.9
169.10135	0.8
173.06041	1.6
173.13271	1.6
175.07545	20.5
175.14909	1.1
177.16426	0.8
180.10223	1.3
185.06056	0.8
187.11189	0.7
187.14931	0.8
190.05023	1.1
191.07080	0.7
203.07033	30.0
204.07512	0.9
205.15994	0.6
218.72687	0.6
219.13594	0.6
221.08133	1.0
229.04967	1.0
231.06512	0.9
239.99690	0.5
247.05904	1.4
249.07597	1.2
257.22778	0.8
275.05472	2.3
275.08383	0.9
275.10101	0.6
275.12866	4.7
275.20093	2.7
275.23605	1.4
293.13953	6.1
293.17447	1.3
293.21063	4.7
293.24738	5.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.6
55.01853	2.7
55.05514	10.9
56.96561	7.0
57.03439	12.8
59.05013	2.6
61.02908	2.1
67.05505	11.4
69.03425	10.7
69.07076	10.4
69.50011	2.2
70.06595	19.1
71.01347	5.3
71.04989	41.7
71.14661	5.2
72.08158	9.0
73.02921	5.8
75.04482	8.5
79.05490	8.5
81.03407	3.2
81.07082	11.4
83.04984	27.6
84.04515	2.9
84.08148	9.9
85.02905	100.0
86.09703	29.2
87.03432	2.1
87.04465	3.0
91.05466	13.9
93.07050	6.2
93.81377	2.3
95.04980	12.0
95.08607	13.3
96.04504	4.7
97.02885	2.7
97.06549	11.7
97.10308	2.7
98.97610	3.1
99.04488	5.8
99.08111	2.1
105.07034	8.2
107.04967	4.6
107.08600	7.5
109.02864	5.1
109.10181	5.6
110.06028	3.1
111.04436	22.7
113.05991	6.8
113.09660	2.2
114.10316	6.6
115.08681	3.2
116.07124	2.5
116.98621	5.3
119.08604	6.9
120.08098	6.8
121.06523	3.2
121.10137	6.2
122.06034	4.4
123.04501	3.8
123.08070	3.4
123.11745	4.7
124.07571	5.3
125.06003	4.2
125.09592	2.9
127.03924	3.9
128.98642	2.7
129.05493	27.5
129.10258	3.3
131.08589	4.8
133.10121	4.4
134.99692	4.2
135.04420	2.5
136.07622	6.3
137.05948	2.7
138.09192	3.3
139.03897	3.9
140.07063	2.8
145.10104	4.6
146.99664	4.6
147.04372	2.4
147.06581	11.2
147.07843	2.4
147.11647	2.4
151.03864	3.1
152.07021	2.7
153.05431	12.8
159.06633	2.4
159.08032	2.7
159.11682	2.5
161.06001	2.7
163.03914	31.0
163.06073	2.5
164.37556	2.4
171.06560	9.5
175.14737	2.5
201.07596	4.6
213.07649	2.9
229.10043	2.1
230.08292	2.6
233.13100	2.5
233.15350	5.1
234.11330	2.7
235.35167	2.3
236.64917	4.6
237.02808	4.4
239.09189	10.4
247.10805	3.3
248.12811	4.1
257.10104	5.1
257.12790	3.0
275.10962	7.1
275.13937	12.9
275.20111	5.3
276.13522	2.3
293.11392	23.2
293.15945	19.2
293.21872	6.1
294.13446	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	293.0633
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34742	1.6
54.79389	1.5
56.96549	3.4
59.51181	1.5
67.44179	1.6
69.36874	4.6
69.37288	12.8
92.75204	1.4
98.20782	2.9
98.97549	4.4
106.67630	1.6
116.98620	1.7
119.01944	2.8
128.98593	3.4
143.01964	3.2
146.99699	1.8
149.01147	1.7
161.01173	1.7
161.02922	9.5
170.97870	1.7
173.02980	3.1
177.00717	2.2
188.78575	1.6
201.00687	3.2
203.04027	3.0
219.01752	3.1
248.73859	1.8
251.04297	2.2
272.06494	1.6
293.06323	100.0
294.06512	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	293.1165
Annotation	N 98-1021A
Peak:m/z	Relative Intensity
52.86258	0.5
53.03933	0.7
55.01880	3.7
55.05511	1.2
56.96554	1.0
60.04519	1.6
60.68139	0.5
60.95402	0.5
61.01150	7.8
67.05486	1.1
69.03429	1.1
69.07056	1.1
69.96351	2.9
70.06596	1.1
71.04987	1.4
71.06097	1.0
72.04515	8.9
72.08142	1.6
73.02909	2.0
77.00620	0.6
78.03794	22.6
79.05499	1.2
81.03403	1.9
81.07045	1.7
83.04973	2.1
84.08138	1.9
85.02908	16.7
86.06088	2.7
86.06556	0.5
86.09692	1.9
91.05482	1.5
93.07026	1.4
95.04981	0.8
95.08591	1.8
97.02882	0.6
97.06515	1.3
98.02402	1.1
98.06100	0.6
98.97589	0.6
99.04456	11.8
102.03768	30.9
103.02169	3.5
103.03946	27.6
104.01674	1.5
105.07021	1.1
107.08565	0.6
109.02874	4.4
109.06494	0.6
109.10130	0.7
112.07615	1.0
114.03739	2.6
114.05540	2.7
114.10291	1.0
115.02190	0.5
115.05045	0.7
115.08721	1.3
118.03226	1.7
120.04814	7.8
120.08089	0.9
121.10097	1.0
122.06001	0.9
126.05518	27.6
127.03924	9.7
129.10217	0.6
131.06395	14.4
131.08557	0.7
132.04781	12.8
133.10133	0.6
135.04430	1.1
136.07632	0.7
137.09613	0.7
138.05540	0.6
141.06560	1.6
145.04988	0.8
146.06245	0.5
147.05887	2.5
149.07440	80.6
152.07115	3.2
154.08665	4.2
156.06567	2.0
158.02730	0.8
163.03914	5.9
175.04057	0.6
175.05370	3.5
180.06569	21.5
186.05843	0.7
187.11171	0.5
191.08501	0.8
198.07639	6.1
206.15446	0.7
216.08655	3.8
222.07982	1.4
231.11639	5.8
233.09538	1.5
233.12775	0.8
248.12709	0.9
249.08650	0.6
257.09537	2.6
257.12775	0.7
275.10577	5.0
275.13812	1.4
288.74240	0.6
293.11664	100.0
293.15659	4.9
294.11865	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	292.139
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80664	1.0
54.64383	1.0
55.01860	1.4
56.05031	1.8
56.96557	3.4
57.03428	2.7
57.07063	0.9
60.04516	0.9
61.02921	2.2
67.05503	33.6
69.03425	6.3
69.07064	18.3
70.06580	3.2
71.04977	1.8
71.22122	1.2
71.22469	1.8
73.02910	2.0
81.03421	2.1
84.04507	1.6
84.08145	13.0
85.02433	1.3
85.02904	16.5
85.06539	9.3
86.09677	1.6
87.04459	1.5
94.06551	2.6
95.04967	9.2
97.02905	4.9
98.97555	1.7
109.02812	1.3
110.07121	1.0
112.02199	18.1
112.07600	100.0
113.06004	12.6
113.07964	1.0
116.98596	2.9
125.09470	1.1
127.03899	4.4
130.03226	5.2
130.06572	1.1
130.08635	33.5
130.09602	1.7
131.07028	7.4
133.06349	1.0
134.99657	1.9
145.04950	3.0
159.09212	1.5
168.20590	1.0
177.00714	1.6
186.50078	0.9
200.71638	1.1
235.31728	0.9
237.02870	2.4
292.08609	2.0
292.13907	1.3
293.10733	1.1
302.80029	1.0
304.73557	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
51.48498	1.6
53.03942	3.7
55.01863	5.2
55.05262	2.4
55.05511	31.8
56.96578	2.4
57.03418	3.7
57.07076	12.7
59.04985	2.9
61.04939	1.3
67.05171	2.8
67.05505	37.6
69.03419	3.6
69.07069	53.6
69.89565	2.8
69.89960	4.9
70.06586	1.6
71.04980	5.1
71.08636	7.4
74.13514	1.4
79.05493	25.0
81.03431	3.2
81.07058	100.0
82.07392	2.2
83.04979	5.3
83.08138	2.0
83.08619	25.4
85.06538	4.0
85.10143	1.4
88.07641	1.9
89.26608	1.5
91.05486	15.1
93.07046	41.0
95.04974	10.9
95.08608	89.4
97.02908	1.4
97.06500	7.6
97.10172	14.0
99.08061	3.6
105.07035	24.5
107.04944	5.7
107.08595	47.1
109.06506	6.4
109.10157	46.7
111.08083	7.3
111.11702	7.4
112.68479	1.4
113.09686	2.2
117.07017	5.8
119.04950	1.7
119.08585	22.6
121.06528	3.1
121.10146	30.7
123.08060	5.8
123.11709	32.2
125.09634	4.9
125.13271	4.0
126.60828	1.4
129.06996	3.4
131.08597	8.9
132.10204	2.1
132.43115	1.4
133.06506	2.9
133.10117	14.1
135.08070	6.8
135.11694	27.4
137.09625	1.8
137.13261	22.6
139.11153	6.9
143.08585	3.9
145.10178	6.9
147.08025	4.5
147.11667	13.0
149.09618	3.6
149.13246	26.0
150.11130	1.7
151.07542	2.3
151.11458	1.8
151.14812	4.7
153.05478	2.9
153.12700	4.4
157.06639	1.6
157.10149	5.0
159.11691	4.5
161.09602	5.1
161.13222	9.5
163.11136	2.4
163.14824	19.2
165.09047	2.1
165.12764	1.8
165.16351	2.1
167.14310	4.0
171.11623	2.0
175.11163	2.8
175.14790	6.1
177.14912	2.0
177.16364	6.3
179.17937	1.5
184.08562	1.4
189.11241	1.9
189.12732	1.7
189.16356	6.0
191.17955	5.6
203.17963	5.6
217.15958	2.3
217.19511	4.8
231.13762	1.8
235.20488	2.8
247.24260	4.0
249.11192	1.5
255.17368	3.2
269.12326	4.2
270.11493	1.7
273.18564	14.9
273.25797	20.3
274.18762	1.7
291.13437	1.6
291.19485	32.4
291.26883	75.0
292.19681	3.8
292.22693	1.7
292.27130	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	291.2681
Annotation	9-Geranyl-alpha-terpineol
Peak:m/z	Relative Intensity
50.40837	0.4
53.03936	1.4
55.01872	2.2
55.05512	15.6
56.96569	1.5
57.03439	1.4
57.07079	6.8
59.05007	0.7
65.03960	1.0
67.05508	32.2
69.03426	2.3
69.07070	29.4
70.07394	0.5
70.77616	1.7
71.04996	2.9
71.08639	1.7
72.51988	0.5
75.45319	0.5
79.05489	14.8
80.05818	0.6
81.03410	1.6
81.07058	100.0
82.07373	1.2
83.04989	2.2
83.08621	13.1
84.04501	0.9
85.02901	1.0
85.06547	9.3
91.05480	8.7
92.06276	0.5
92.74346	0.5
93.07046	25.1
95.04960	2.5
95.08607	83.5
96.08938	1.6
97.02864	0.6
97.06533	5.4
97.10168	8.5
98.97585	1.7
99.08077	4.4
103.05475	0.6
105.07026	10.5
107.04987	1.1
107.08598	27.1
108.08932	0.7
109.06541	3.9
109.10159	53.0
110.10496	1.3
111.08085	15.2
111.11722	5.9
113.09656	1.2
116.98605	1.4
117.07031	2.6
119.08578	9.1
121.06499	2.0
121.10144	18.9
123.08067	2.0
123.11707	29.2
124.12019	0.8
125.06005	0.6
125.09636	4.0
125.13255	1.5
127.07504	0.7
127.11160	0.6
128.98589	1.3
129.06998	0.8
131.08569	3.7
133.06468	0.7
133.10139	7.2
134.99678	1.0
135.08046	2.8
135.11685	16.7
137.09595	0.8
137.13254	13.9
139.11185	3.6
140.01346	0.5
141.12790	0.7
143.08539	1.5
145.10130	3.8
146.99704	0.7
147.08047	1.4
147.11678	5.0
149.09618	2.0
149.13260	17.9
150.13596	0.7
151.11192	0.6
151.14832	6.4
153.03902	0.6
153.12755	5.0
157.10135	2.0
158.99608	0.5
159.07956	1.2
159.11661	2.1
161.01257	0.6
161.09602	1.6
161.13223	3.4
163.11156	0.8
163.13437	0.7
163.14821	11.5
165.09167	0.5
165.12738	1.4
165.16397	1.3
167.14340	3.5
171.11674	1.7
173.09648	1.1
173.13232	1.5
175.11206	0.5
175.13481	0.5
175.14787	2.4
177.00729	0.6
177.12766	0.7
177.16383	6.0
181.15875	0.9
185.13290	1.0
187.11316	1.0
187.14821	0.6
189.12747	0.8
189.16397	2.0
191.17937	1.8
193.15871	0.7
195.17448	0.6
203.17920	2.1
205.19524	0.8
207.13853	0.7
210.52138	0.5
213.09280	0.5
217.15926	0.6
217.19572	2.6
219.13902	0.5
221.18904	0.6
225.21425	0.5
227.17862	0.6
229.19627	0.8
231.21028	0.6
235.20572	0.7
238.53767	0.6
245.19250	0.5
245.22549	1.0
247.24181	1.2
249.02826	0.8
255.17410	0.8
255.21185	0.6
269.12357	1.7
273.15594	0.8
273.18460	4.2
273.22095	1.0
273.25766	5.6
291.12238	2.3
291.19876	10.2
291.23178	4.6
291.26773	49.1
292.19733	0.9
292.23935	0.5
292.27139	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	291.2317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.3
55.01858	2.1
55.05503	18.4
57.03415	1.5
57.07055	2.4
59.04985	1.6
65.03916	2.0
66.93273	1.4
67.05504	36.0
68.43716	1.4
69.07066	15.8
70.54533	2.9
70.54924	3.1
73.06538	1.7
77.03882	1.5
79.05489	67.1
81.06590	2.3
81.07053	44.9
83.04952	3.0
83.08612	9.5
83.52605	1.2
85.06524	5.8
91.05478	27.5
93.07038	100.0
95.04973	11.3
95.08607	31.6
97.06537	2.0
97.10143	4.3
98.33248	1.4
99.08015	1.4
105.07033	17.7
107.04945	2.7
107.07868	2.9
107.08585	53.2
109.06504	4.9
109.10167	16.2
111.08069	2.0
117.06986	4.2
119.08560	16.7
121.06506	3.4
121.10138	49.8
121.11034	2.8
123.08028	2.7
123.11652	4.1
125.09595	2.6
129.06981	2.5
131.08560	5.5
133.10104	12.2
135.08026	3.1
135.10709	2.5
135.11696	49.7
137.09532	2.4
139.03822	1.4
141.36531	1.7
143.08566	2.4
145.10136	8.2
147.11688	10.7
149.09619	5.2
149.13257	33.4
151.07539	2.4
157.10074	4.3
159.11676	6.3
161.13240	10.9
163.11157	3.9
163.14806	10.0
165.12610	1.5
171.11664	4.0
173.13170	2.3
175.11186	3.1
175.14848	7.6
177.12721	3.3
185.13272	4.9
189.12782	3.9
194.93805	1.5
199.14795	2.3
203.14317	2.1
207.13770	2.0
209.15346	2.5
213.16367	2.0
217.15858	1.8
217.19548	3.0
231.17416	1.9
231.21074	1.8
241.19527	5.7
249.18468	4.4
259.20560	9.2
273.18262	2.0
280.92694	1.5
291.19537	13.5
291.23126	77.2
292.20001	2.1
292.23389	3.0
312.23206	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	291.2319
Annotation	sterculynic acid
Peak:m/z	Relative Intensity
53.03946	5.9
55.01870	5.5
55.05512	26.0
57.03450	3.9
57.07077	7.0
59.69466	2.2
67.05507	52.4
69.07082	15.3
71.05007	2.9
71.23008	5.7
72.17665	2.1
77.42003	3.1
79.05058	5.3
79.05496	75.0
81.03401	2.9
81.07063	69.6
83.04989	5.6
83.08617	12.3
85.06542	3.4
91.05487	35.5
93.07047	100.0
94.01891	2.6
95.04967	14.6
95.08611	39.9
97.06522	6.5
97.10156	8.4
103.13813	2.6
105.07039	29.6
106.43407	2.3
107.04984	13.6
107.08598	54.3
109.06499	15.0
109.10165	22.0
111.08089	5.6
115.05466	2.7
115.50191	2.5
117.07022	14.1
119.08599	23.4
121.06507	7.8
121.10140	42.2
123.04436	2.5
123.08067	9.5
123.11719	4.5
125.09636	5.1
127.74818	2.6
129.06970	4.7
131.08586	11.5
133.06477	6.0
133.10126	16.5
134.64174	2.6
135.08081	13.4
135.11685	38.2
137.09621	3.6
143.08556	5.5
145.10133	12.6
147.04449	5.7
147.08054	8.6
147.11681	11.6
149.09610	10.7
149.13251	25.7
151.07605	5.4
151.11198	3.4
157.10097	5.0
159.11691	6.3
161.09650	5.8
161.13252	6.0
163.11153	2.6
163.14806	7.7
171.11723	8.4
173.13228	3.4
175.11247	3.8
177.12727	3.1
179.07083	2.9
185.13297	3.7
189.12776	7.2
195.11551	3.7
203.10754	3.9
203.14389	3.2
207.13829	5.2
211.15869	2.5
217.15889	4.6
241.19536	4.3
249.14745	2.9
249.18477	3.8
255.17201	3.2
259.20612	10.7
273.18484	21.7
273.21515	2.6
273.22031	2.2
287.98196	2.6
291.19595	67.3
291.23218	58.0
292.20105	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	291.1948
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.69034	2.8
53.03952	9.1
55.01862	7.6
55.05518	20.6
56.96564	6.9
57.03431	7.5
57.07074	5.2
67.05508	37.1
69.03416	5.8
69.07071	20.4
69.79901	6.9
69.80312	14.4
71.05004	6.9
79.05496	38.1
81.03416	5.4
81.07056	40.5
83.04986	5.4
83.08616	15.2
91.05491	29.6
93.07041	31.4
95.04967	43.4
95.08604	27.5
97.06531	12.1
97.10154	5.2
98.98474	4.9
100.65195	3.3
105.07015	26.9
107.04967	12.9
107.08588	24.8
109.06516	15.8
109.10150	7.6
111.08055	16.1
115.05395	3.8
117.07022	10.3
119.08595	27.0
121.06498	10.5
121.10146	21.1
123.08042	17.3
123.11740	4.0
125.09655	4.2
129.07022	10.4
131.08540	23.8
133.06499	7.1
133.10130	12.6
135.08032	16.3
135.11655	9.1
143.08542	9.1
145.10123	20.6
147.08044	26.1
147.11684	5.1
149.09628	16.1
151.07545	25.5
157.10112	5.6
159.11642	8.5
161.09669	9.0
161.13235	3.8
163.11163	22.3
165.09119	5.7
171.11650	6.8
175.11194	5.8
185.13269	6.2
189.11211	4.9
189.12746	7.7
191.14268	3.9
197.11745	3.9
199.14775	3.1
207.13736	18.6
214.03563	3.7
218.11971	5.3
233.15381	7.0
245.19028	4.3
246.24092	3.5
249.14839	5.2
273.18466	46.2
291.16141	5.2
291.19550	100.0
291.22900	6.5
291.27069	8.6
292.98569	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03942	3.4
55.01876	13.0
55.05266	2.7
55.05513	40.4
57.03425	4.4
61.94809	1.8
62.55359	1.8
67.05507	27.2
69.03432	4.5
69.07086	9.3
70.85146	1.9
70.85494	6.4
71.04980	4.7
79.05073	2.8
79.05496	45.5
81.03407	3.5
81.07059	51.4
81.90839	1.8
83.04965	7.2
83.08625	16.5
91.05483	52.7
93.07046	23.4
95.04984	17.1
95.08609	13.9
97.06524	4.3
97.10184	21.3
103.05444	2.1
105.03396	4.5
105.07028	22.0
107.04973	16.5
107.08603	22.6
109.06525	6.4
109.10144	8.9
111.08115	4.6
115.05479	3.3
117.07001	23.1
119.04926	4.4
119.08585	61.7
121.06516	16.7
121.10133	6.5
123.08060	7.9
125.09618	18.7
128.06235	3.8
129.06992	8.1
131.08546	21.8
132.05710	2.3
133.06461	4.5
133.10132	5.8
135.08031	13.4
135.11684	3.6
137.09601	2.4
143.08568	19.3
145.06497	2.8
145.10120	30.9
147.08054	42.9
147.11697	2.6
149.09613	7.5
151.07515	7.7
153.09123	2.3
157.10120	6.7
159.08089	3.4
159.11688	7.3
161.09569	6.8
163.11182	4.4
169.10114	2.9
171.10262	2.4
171.11746	5.3
173.11819	2.6
175.11090	2.4
177.12671	2.0
185.09615	2.8
185.13239	2.7
189.11221	14.8
189.12726	3.3
195.11662	2.5
207.13789	5.5
216.97310	2.0
223.03119	2.1
223.13104	3.6
227.17836	5.1
237.16312	2.5
245.19008	2.6
249.14908	8.2
255.17419	12.6
256.04010	2.5
273.18491	100.0
291.19543	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1954
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
53.03935	2.6
54.09833	2.1
55.01881	11.3
55.05511	30.9
57.03442	18.1
57.07053	2.4
67.05501	31.5
67.71922	2.3
69.03410	3.7
69.07049	14.3
70.85561	4.0
71.04977	4.8
79.05058	4.0
79.05485	50.3
81.03407	6.0
81.06588	3.0
81.07056	46.7
83.04966	3.3
83.08621	16.9
85.06565	5.6
91.05474	46.8
93.07034	31.3
95.04984	14.3
95.08604	23.0
97.06490	4.5
97.10162	10.6
101.09689	2.9
105.03394	4.6
105.07029	42.7
107.04937	11.0
107.08578	23.8
109.06505	24.7
109.10167	7.1
111.08073	10.1
115.05440	3.7
117.07030	32.4
119.08573	37.3
121.06475	15.1
121.10132	12.8
123.08064	12.3
125.09621	10.5
129.07021	14.1
130.07816	2.4
131.08559	30.8
132.05740	2.2
133.06511	6.8
133.10162	11.7
135.08067	29.1
135.11644	6.7
137.09654	3.1
142.07732	3.1
143.08574	19.0
145.10130	33.4
147.08035	25.5
147.11696	5.5
149.09636	14.2
151.07512	16.4
151.55838	2.4
157.10132	16.1
159.08047	5.2
159.11673	11.8
161.09653	14.7
161.13260	2.9
163.11172	6.3
171.11684	8.6
173.13310	5.9
175.11179	5.3
180.07143	3.6
185.13258	5.0
189.11227	7.0
189.12619	4.3
195.11739	4.4
197.11728	3.3
199.11298	3.5
199.14830	4.5
201.12833	3.3
207.13794	8.1
215.14607	2.5
217.15930	16.1
227.17964	5.3
233.15414	5.1
237.16380	5.9
245.18970	4.7
249.14867	6.5
255.17580	11.3
267.08984	6.1
267.12415	6.1
273.18497	61.7
285.10065	10.4
291.19531	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03946	2.9
54.02032	2.0
55.01857	5.8
55.05509	16.3
56.96548	4.1
57.03440	4.3
59.04991	3.1
67.05508	19.2
69.03416	3.0
69.07053	9.0
70.85450	7.4
71.04988	6.4
75.78737	2.0
79.05490	27.0
81.03392	2.9
81.06633	3.5
81.07050	32.0
83.04983	3.6
83.08593	9.4
85.02901	2.8
85.06546	4.3
87.70452	3.0
91.05464	23.8
93.07031	30.2
95.04964	11.1
95.08604	20.9
97.06516	7.7
97.10149	7.6
105.07032	23.9
107.04940	14.6
107.08582	23.5
109.06519	14.8
109.10120	8.9
111.08070	28.2
115.05363	2.3
117.07011	13.6
119.04919	2.5
119.08578	26.2
121.06482	7.0
121.10137	10.7
123.08074	23.5
125.09630	6.4
129.06960	5.6
130.66553	2.4
131.08572	15.6
133.06517	5.7
133.10158	14.0
135.08084	16.2
135.11673	8.8
137.09622	5.0
141.91829	2.4
143.08545	8.7
145.10129	18.8
147.08009	11.2
147.11644	9.5
149.09599	13.2
151.07541	64.8
155.10626	3.9
157.10115	9.9
159.11646	4.9
161.09621	10.5
163.11176	7.4
171.11693	6.8
173.13251	6.7
175.11154	7.9
179.10655	4.0
187.07741	2.3
189.12769	20.7
191.14304	8.4
192.11412	3.0
193.12253	3.6
195.11487	2.8
197.11653	11.6
197.13313	2.7
207.13774	48.9
213.16379	3.9
215.14317	4.7
217.15799	3.3
227.17876	3.8
231.29457	3.0
233.15331	35.7
237.16261	3.5
245.18993	5.2
249.15021	2.6
255.17451	6.5
263.20135	4.1
267.09268	5.2
267.12354	2.9
273.18466	47.6
276.31805	2.5
285.10104	6.6
291.11920	3.8
291.19522	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03928	6.0
55.01865	7.1
55.05510	13.8
57.03416	6.0
57.53185	1.5
65.03941	2.8
67.05171	2.0
67.05503	29.4
69.03410	4.8
69.07051	7.3
71.04991	2.9
79.05489	43.9
81.03398	4.4
81.07052	100.0
82.48338	1.4
83.04962	3.4
83.08605	5.8
85.06531	2.1
91.05475	23.7
93.07037	19.3
95.04972	36.6
95.08593	10.3
97.06529	4.2
97.10149	4.5
98.20741	3.7
105.07023	20.3
107.04960	15.2
107.08580	13.6
109.06517	96.1
109.10143	4.2
111.08080	3.0
115.05445	2.6
117.07021	13.3
119.08588	16.0
120.30369	1.4
121.06509	8.8
121.10140	6.0
123.08090	3.5
125.09599	2.7
129.06999	6.0
131.08583	11.3
133.06483	4.6
133.10135	7.9
135.07083	2.5
135.08047	25.8
135.11662	4.8
137.09631	3.7
143.08568	5.8
145.10115	12.6
147.08044	7.9
147.11642	2.4
149.09613	7.3
151.07533	2.2
157.10092	3.0
158.30148	1.4
159.07993	1.3
159.11687	3.8
161.09612	11.5
161.13112	1.4
163.11160	5.5
169.10106	2.0
171.11671	3.5
173.09671	2.1
175.11154	3.0
176.96442	1.3
177.12692	2.8
185.13287	2.4
189.11145	3.0
189.12733	2.1
199.14821	1.5
217.15845	5.4
223.13249	2.2
227.17792	1.8
237.16235	1.4
245.18993	2.9
249.14882	2.2
255.17377	4.7
273.18454	30.4
291.19522	58.4
302.96362	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	291.1955
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.15057	1.3
53.03935	5.3
55.01876	7.9
55.05515	21.7
56.96561	4.3
57.03428	6.8
57.07068	5.8
58.06604	1.8
67.03764	1.4
67.05504	23.1
69.03423	5.3
69.07069	19.0
70.06590	7.7
70.66486	3.5
70.66830	2.1
71.04991	4.8
71.08652	1.9
79.05493	33.6
79.79558	1.4
81.03436	7.3
81.07057	51.0
83.04987	10.2
83.08628	11.8
85.02927	2.1
85.06529	2.4
86.06043	2.4
88.07635	8.7
89.07944	3.0
91.05483	26.1
93.07053	24.7
95.04970	19.6
95.08609	21.0
97.06532	8.6
97.10168	6.6
98.97578	2.6
99.04449	2.4
99.08115	1.6
102.09183	4.0
105.03444	2.4
105.07040	21.6
107.04955	21.5
107.08604	19.4
109.06519	13.9
109.10161	9.9
110.28609	1.3
111.04442	5.8
111.08083	6.4
115.05504	1.9
117.07018	15.4
119.04897	2.4
119.08581	24.8
121.06504	12.1
121.10155	12.3
123.04419	2.4
123.08076	16.7
123.11740	3.9
125.09629	4.9
128.06232	3.0
129.07025	7.7
131.08582	14.8
133.06511	4.4
133.10143	10.6
134.99666	2.5
135.08047	15.6
135.11707	5.3
137.09604	4.9
139.11192	2.2
142.07732	3.0
143.08549	5.3
145.10121	16.7
147.08043	13.3
147.11703	5.4
149.09610	14.1
149.13239	2.9
151.07538	10.6
151.11171	1.7
153.09077	3.0
157.10149	8.3
159.11720	5.4
161.09680	9.3
161.13234	2.2
163.07492	2.4
163.11150	11.1
165.09116	2.9
169.10103	2.0
171.11685	5.9
173.09636	1.9
175.11215	4.7
177.09177	1.8
177.12704	2.3
185.13278	2.9
187.11067	1.9
189.11212	3.1
189.12764	2.9
191.10643	1.8
193.12242	2.5
201.12791	1.8
207.13837	6.4
217.15915	2.9
223.13306	4.4
227.17999	2.4
228.23247	5.5
229.23561	21.1
233.15297	2.2
245.19025	3.6
249.14874	3.5
255.17511	4.2
263.20047	2.0
269.12323	1.6
272.49136	1.8
273.18530	28.1
273.21555	1.8
273.26096	3.4
291.09201	2.1
291.19559	100.0
291.27176	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1957
Annotation	8-hydroxy-13Z-octadecene-9,11-diynoic acid
Peak:m/z	Relative Intensity
55.01865	5.7
55.05513	18.5
56.96571	3.3
57.03427	4.7
57.07070	6.4
59.05002	3.2
64.73573	1.8
66.52572	2.2
67.05505	20.5
69.03434	4.7
69.07076	11.7
70.61885	4.0
70.62215	2.6
71.04989	6.3
71.82021	1.9
79.05502	20.6
81.03437	4.5
81.07059	30.4
83.04983	6.2
83.08630	11.8
85.02910	2.8
85.06539	5.5
91.05492	18.9
93.07047	25.5
95.04983	10.3
95.08611	31.0
96.76413	2.1
97.06549	9.9
97.10172	2.4
98.97567	1.8
102.64121	1.8
105.07033	21.6
107.04945	8.1
107.08591	20.1
109.06525	20.0
109.10175	16.9
111.08087	30.1
117.07001	10.5
119.08572	18.3
121.06506	6.7
121.10148	12.6
123.08073	30.4
123.11729	5.3
127.04009	1.7
129.06976	5.0
130.46149	1.7
131.08562	13.7
133.06487	5.8
133.10123	11.6
135.08046	19.7
135.11682	9.0
137.09615	6.3
139.11104	2.3
143.08586	6.1
145.10121	18.3
147.08064	7.6
147.11671	9.6
149.09633	11.3
151.07552	81.0
155.10786	2.7
157.10139	8.5
159.07977	2.7
159.11739	9.1
161.09604	8.4
161.13278	4.0
163.11224	5.5
171.11743	4.3
173.09612	3.6
173.13261	5.2
175.11200	5.8
177.09091	2.8
179.10606	5.2
183.11758	2.3
185.13281	2.5
187.11172	3.2
189.12714	25.1
191.14407	3.3
192.11453	5.2
197.11720	15.2
197.13274	2.9
203.14384	3.8
207.13799	57.2
213.16508	2.0
215.14343	5.1
217.12257	2.1
217.15807	5.2
227.17889	2.6
231.17509	3.5
233.15375	17.8
245.18988	2.3
249.18396	2.2
255.17529	5.9
273.18515	25.9
291.19577	100.0
291.22821	4.2
291.26874	16.6
292.19977	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
53.03937	1.2
55.01873	3.2
55.05510	6.2
56.96540	1.7
57.03415	2.1
57.07052	1.6
59.04971	0.8
60.66990	0.5
64.35098	0.6
67.05499	6.9
69.03428	3.3
69.07067	11.4
69.82959	0.7
69.90771	2.2
69.91177	1.4
71.04974	2.2
76.09787	0.6
77.03934	0.6
79.05490	12.0
81.03411	0.9
81.07055	15.4
83.04956	1.9
83.08614	3.8
85.02878	1.2
85.06504	0.7
91.05475	9.1
93.07042	26.4
95.04961	2.9
95.08603	12.8
97.06532	4.2
97.10144	1.9
98.21554	0.7
98.97589	0.9
103.05447	0.7
105.07030	12.3
107.04934	4.6
107.08597	13.2
107.45745	0.7
109.05795	1.0
109.06519	18.9
109.10158	6.8
111.08074	3.7
111.11695	2.4
115.05429	0.8
116.98637	0.8
117.07014	3.0
119.08577	7.7
121.06502	2.7
121.10139	36.1
122.10484	0.9
123.08061	6.2
123.11677	2.4
125.09583	3.0
128.06160	0.9
129.06973	2.0
131.08545	6.1
133.06474	2.1
133.10114	3.4
134.99666	0.6
135.08055	10.7
135.10786	0.6
135.11635	3.1
137.09601	2.4
137.13243	1.6
139.11172	2.9
141.06961	0.9
142.07797	0.8
143.08577	2.1
145.10121	5.6
147.08018	2.8
147.11673	3.1
149.09621	13.2
149.13248	2.5
151.07529	8.0
153.05457	0.9
153.09058	0.9
155.10719	0.9
156.09325	1.4
157.10080	3.4
159.08064	1.9
159.11746	1.7
161.09601	2.6
161.13266	1.5
163.11148	1.7
163.14902	0.9
167.10672	100.0
168.11066	1.1
169.10110	1.2
171.11662	3.2
173.09653	2.1
173.13263	4.3
175.11166	2.8
177.09090	0.9
177.12659	0.8
177.16364	0.8
182.10945	0.9
185.13293	1.1
187.11159	1.2
187.14862	1.0
189.12695	3.7
189.16293	0.7
191.10675	3.1
191.14320	4.5
195.11732	0.8
197.11694	1.4
197.13268	2.3
199.11230	1.3
199.14842	0.7
203.17937	0.8
207.13768	4.5
213.16461	1.5
215.14314	2.7
217.12274	1.4
217.15887	2.1
231.17464	1.5
233.15340	11.7
237.16316	1.0
245.19060	0.8
249.18407	0.7
255.17456	2.9
273.18469	10.8
273.21283	1.0
291.19580	24.8
291.23141	2.6
291.26398	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	291.1955
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
51.22763	0.2
53.03943	0.5
55.01872	2.0
55.05268	0.4
55.05513	6.6
57.03428	0.4
59.04994	0.5
65.03931	0.3
67.05170	0.3
67.05506	4.3
69.03442	1.4
69.07069	2.4
71.04983	1.0
71.60458	0.3
79.05495	5.8
81.03413	0.9
81.07057	5.6
83.05002	1.3
83.08617	3.6
87.63413	0.3
91.05482	5.1
93.07046	5.5
94.04185	0.4
95.04967	2.5
95.08604	2.6
97.06540	0.6
97.10175	2.9
101.41192	0.3
103.05482	0.4
105.06374	0.5
105.07032	5.2
107.04952	2.4
107.08599	3.1
108.05694	0.3
108.51849	0.3
109.06535	0.7
109.10151	1.2
110.89827	0.3
111.08060	0.6
115.05473	0.3
117.07032	2.0
119.04939	1.1
119.08584	4.8
120.05683	0.5
121.06507	1.8
121.10152	1.7
123.04430	0.3
123.08055	1.3
125.09619	1.3
128.06262	0.3
129.07001	1.1
130.07803	0.6
131.08559	2.4
133.06485	3.1
133.10078	1.3
134.07272	1.0
135.08061	1.0
135.11710	0.7
137.09596	0.5
143.08551	1.6
145.10124	2.2
147.08047	3.3
147.11621	0.5
149.09616	1.2
151.07584	0.6
157.10115	0.9
159.08185	0.3
159.11639	0.7
161.09625	0.8
161.13309	0.3
162.10381	1.4
163.11179	0.8
165.09113	0.4
171.11667	0.6
173.13242	0.3
175.11169	0.8
177.12770	0.4
189.11226	0.5
189.12781	0.3
203.14478	0.4
207.13832	0.4
223.13251	0.9
245.18968	0.5
249.14937	2.3
255.17319	0.4
261.14880	0.3
273.18533	3.0
291.19543	100.0
292.20026	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	291.1954
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
51.02362	1.9
51.20399	1.2
53.03935	2.0
55.01855	5.4
55.05510	16.2
57.03423	2.9
58.75088	1.3
67.05180	1.3
67.05505	17.5
69.03408	3.4
69.07079	8.1
69.86337	8.2
71.04993	3.0
79.05495	28.2
81.03394	2.4
81.06594	2.1
81.07063	38.7
83.04983	4.0
83.08614	7.7
85.06535	1.5
91.05483	19.7
93.07037	23.5
95.04971	17.2
95.08616	11.7
97.06538	4.0
97.10169	4.9
105.03423	1.6
105.07037	16.7
107.04989	10.4
107.08604	14.9
109.06517	7.8
109.10147	5.6
111.08064	4.1
115.05423	1.9
117.07023	14.9
119.08586	27.8
121.02911	1.9
121.06523	13.2
121.10150	9.5
123.04422	2.4
123.08063	5.7
123.11712	1.9
125.09623	3.8
129.07004	6.4
131.08528	12.0
133.06482	4.0
133.10112	8.7
135.08081	9.6
135.11691	3.0
137.09547	2.1
139.01527	1.5
143.08534	7.9
145.06477	1.6
145.10118	15.5
147.08044	14.8
147.11667	3.9
149.09650	8.4
151.07538	5.7
155.08492	1.7
157.10097	5.4
159.08075	1.8
159.11671	5.0
161.09587	9.1
161.13225	2.0
163.11195	5.2
165.09111	1.7
169.10161	1.8
171.08105	1.4
171.11681	3.4
173.13196	2.3
175.11130	4.0
179.10728	1.7
185.13255	4.3
187.11143	2.3
189.11263	2.8
193.12257	5.3
199.11157	2.4
207.13869	3.7
223.13326	4.9
227.17915	3.2
233.15260	2.6
245.18954	3.2
249.14812	6.9
249.18808	1.7
255.17482	5.6
269.10693	1.6
273.15909	1.3
273.18509	33.6
273.21530	2.1
281.33414	1.5
291.19550	100.0
292.19891	1.5
296.57727	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0862
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
50.35800	0.4
50.61497	0.3
52.34642	0.3
53.03931	0.4
55.01867	1.7
55.05510	0.5
65.03937	1.0
67.05493	1.9
68.99800	2.0
69.03417	1.4
69.07055	0.5
70.16314	0.9
70.16705	0.8
71.04995	0.4
79.05504	0.7
81.03419	0.8
81.07040	0.7
83.04976	1.3
84.08140	0.5
85.02889	1.9
91.05475	1.5
93.03407	0.9
93.07053	0.9
95.04974	2.7
95.08611	0.8
97.02882	0.9
98.97581	0.6
98.98443	0.9
99.04459	0.6
105.03430	0.4
105.07024	1.1
107.04985	0.5
107.08603	0.8
109.10107	0.6
111.04431	2.9
111.08128	0.5
115.05481	1.3
116.98625	0.7
119.04935	5.5
119.08588	0.7
121.02837	0.4
121.10157	0.5
123.04425	63.2
124.04775	0.8
125.09562	0.4
127.03923	1.4
129.07072	0.5
129.09116	0.7
131.04948	0.5
131.08562	0.6
133.06487	0.8
135.04410	0.6
136.06160	0.4
136.07649	0.4
137.02312	0.9
137.05977	0.9
139.03896	100.0
140.04218	1.5
143.04898	2.2
143.08568	0.4
145.10118	0.6
146.99638	0.5
147.04402	20.7
147.11699	0.5
151.03955	2.4
151.07529	0.9
153.05461	0.7
159.11699	0.6
161.05991	7.1
163.03926	2.0
165.05473	14.1
169.04959	1.8
171.04463	0.4
177.05438	0.6
179.07043	3.7
181.04994	1.0
189.05424	1.9
189.12695	0.5
207.06540	5.7
217.13316	0.5
229.16220	1.1
230.10355	0.4
245.12979	0.8
247.17334	1.6
249.07559	1.5
273.07608	1.5
273.12320	2.4
273.18784	0.4
291.08566	8.2
291.13242	2.7
291.16257	1.0
291.19916	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	291.0386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.9
56.96294	1.5
56.96564	24.5
60.49421	0.9
67.05508	5.0
69.03409	1.4
69.07083	5.0
69.37851	9.3
71.04976	1.6
71.95265	0.8
79.05488	2.7
81.03417	1.0
81.07059	11.5
83.08614	1.4
84.96032	4.7
91.05495	2.2
93.07046	7.3
95.04942	2.6
95.08617	10.6
97.06556	1.9
97.10161	1.7
98.97585	77.4
99.08097	1.0
105.07034	5.1
107.04964	1.0
107.08614	5.4
109.06554	1.7
109.10159	4.5
110.97566	29.5
111.11761	0.9
112.99111	1.5
116.98621	58.7
119.08604	4.3
121.10150	4.4
121.22780	0.9
123.08054	1.0
123.11729	4.3
128.98607	65.2
129.06995	0.9
131.00172	2.9
131.08562	1.7
133.10158	4.5
134.99661	30.8
135.08023	1.2
135.11674	3.6
137.09612	1.6
137.13248	1.0
139.11185	1.2
140.00194	4.3
140.98645	0.9
143.00136	5.9
143.08574	0.9
144.98088	1.7
145.01701	1.0
145.10144	2.6
146.99654	62.6
147.11670	3.5
149.01198	2.1
149.09668	1.3
149.13271	2.3
151.07480	1.0
152.00182	3.6
153.00713	3.8
153.05482	1.2
155.00075	1.9
158.01250	3.0
158.99667	6.0
159.11633	1.8
161.01213	19.4
161.09671	1.0
161.13248	1.0
162.99144	2.7
163.14821	2.3
165.00685	6.6
165.09163	1.1
170.01224	5.6
170.99655	29.8
173.01221	9.0
173.13159	1.4
177.00699	7.2
179.02330	6.0
182.99687	2.8
184.02789	2.3
188.99004	2.1
189.00714	40.1
191.02298	2.7
201.00710	11.2
207.01785	4.4
212.02367	5.6
213.00636	1.4
219.01776	3.5
224.02264	1.1
230.99590	0.5
231.01744	19.4
249.02834	100.0
250.03152	1.4
267.03897	22.0
272.04425	16.8
273.18549	3.0
273.25479	1.1
290.05417	1.6
290.25284	1.0
291.03827	1.5
291.19543	7.2
291.23163	7.3
291.26688	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	291.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05488	1.0
56.49517	0.5
56.96563	38.6
57.03433	1.4
61.02906	1.4
64.11315	0.7
69.03436	5.5
69.07042	1.0
69.62562	5.6
70.06574	3.0
71.01360	0.7
71.04984	1.6
71.95264	0.7
72.08131	0.7
73.02909	2.1
73.60043	0.6
74.97607	1.9
79.05464	1.7
80.05021	0.6
81.03410	1.4
81.07032	1.6
83.04977	1.2
83.08604	0.7
84.04480	2.3
84.08123	2.4
84.96033	3.7
85.02905	8.5
86.09689	2.2
87.04476	1.3
87.10009	0.7
88.48437	0.6
91.05479	1.9
93.07031	1.2
95.04961	1.3
95.08585	0.7
97.02886	10.1
97.06515	1.1
98.97579	17.5
99.04465	1.1
99.08041	0.7
100.99121	2.0
107.04945	1.5
107.08562	1.1
109.02858	1.2
109.06516	0.7
110.97544	3.5
111.04434	1.5
112.99118	0.9
115.03915	0.8
116.98626	15.9
118.06841	0.8
119.00182	3.0
119.01907	1.6
120.98085	0.8
127.03908	2.6
128.07079	1.5
128.98604	10.9
129.05469	16.3
129.10254	1.1
130.08638	1.0
131.00183	1.3
133.01750	1.2
134.05957	0.7
134.99655	12.9
136.06204	1.0
137.05928	0.8
138.09195	0.7
139.03773	0.8
140.00206	0.7
141.06578	1.2
143.00146	1.6
144.13861	1.1
144.98125	1.2
145.01695	1.4
145.04929	1.5
146.99643	18.3
149.01228	2.5
153.00722	2.2
156.98010	4.9
158.01273	1.7
158.13724	0.9
158.99648	5.3
159.03145	0.9
159.07794	0.8
161.01198	7.8
162.99142	2.0
163.02780	5.9
165.00711	8.0
165.04333	1.4
170.01237	1.0
170.99651	2.1
173.01367	1.0
174.99146	40.0
175.04480	1.2
177.00714	9.6
179.02327	1.9
181.03893	1.1
183.01755	3.2
186.99020	0.8
189.00702	2.8
189.02419	1.0
189.04337	2.8
190.98650	2.5
191.02238	1.7
191.03835	1.4
191.05746	0.9
193.00211	100.0
194.00536	1.2
195.01862	1.1
198.00832	3.6
200.02180	0.9
201.00720	2.6
201.02499	0.9
203.02263	1.4
205.00166	1.6
207.01810	1.4
208.99698	2.9
209.03317	1.6
210.06587	0.9
210.54510	1.0
211.01233	9.9
216.01816	5.7
216.03737	0.9
217.00119	1.1
219.01743	7.5
219.03566	0.8
221.05095	1.5
223.01323	2.2
227.00571	0.9
230.03368	0.9
230.95932	1.2
231.03371	0.9
231.05402	1.1
237.02818	10.7
245.03346	1.1
247.01251	35.1
248.96892	0.9
248.99287	2.2
255.03813	1.6
260.04535	0.9
263.04364	1.0
265.02310	21.0
267.00217	3.7
272.99292	0.9
279.04248	2.0
288.03922	3.0
290.97092	1.5
291.00351	2.6
291.03860	10.2
291.08279	14.1
291.15851	1.3
291.19562	1.9
309.04895	3.9
309.08572	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	290.1748
Annotation	Lycoramine
Peak:m/z	Relative Intensity
51.67486	0.3
54.87563	0.3
55.05511	1.0
56.05024	1.0
56.96566	2.0
57.03425	0.2
57.07073	1.2
58.06590	0.8
60.15209	0.3
65.03926	1.0
67.04244	0.3
67.05501	8.0
69.07069	3.4
70.06582	0.3
71.08614	0.7
71.59975	0.4
74.06069	1.2
79.05473	2.0
80.05059	0.3
81.07036	1.9
82.06580	3.1
83.04967	0.7
83.08620	0.5
88.07629	5.2
91.05477	0.8
93.03399	1.1
93.07045	3.3
95.04946	0.3
95.08607	1.3
97.06522	2.3
98.98405	0.3
105.07013	0.6
107.08600	3.6
109.06543	0.4
109.10146	0.8
110.06039	31.8
111.04443	8.6
111.06335	0.3
111.08120	0.3
115.10507	0.3
117.06986	0.5
118.08650	0.8
119.08577	0.4
122.08130	0.8
123.04420	1.3
127.03892	0.5
131.08548	0.2
133.10130	0.4
135.11684	3.9
137.05966	0.8
138.05496	100.0
139.05838	1.1
145.06531	0.6
153.12766	0.9
163.07550	1.5
168.13826	0.5
175.07440	0.4
189.09071	0.3
197.12695	0.3
226.11131	4.8
228.23225	0.3
231.98141	0.3
242.24788	4.8
244.12241	4.1
249.12854	0.5
255.13719	0.4
267.09183	0.6
267.13861	1.4
273.14923	0.5
285.10092	0.6
290.17517	5.8
290.26877	16.4
290.29419	0.7
291.19592	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.0637
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96550	9.1
57.03411	7.8
61.02932	8.2
69.03427	11.8
70.06583	5.9
70.84505	8.0
70.84831	7.2
73.02907	10.1
73.30695	4.4
84.62564	5.1
85.02904	21.7
89.04190	4.7
93.71136	4.7
97.02891	15.0
97.88564	4.3
98.97578	16.2
100.80730	4.7
116.98618	8.7
119.01852	24.3
120.02021	13.2
127.03906	13.4
128.02333	8.8
128.98592	8.0
134.99593	5.6
138.03044	5.0
146.02367	5.5
146.99693	9.0
155.02843	13.4
161.02838	8.6
162.03078	10.0
170.03441	5.8
170.47968	4.8
177.00809	4.9
182.03398	5.1
186.54889	6.6
187.04439	5.8
188.00996	8.0
189.00761	8.8
190.02557	4.7
191.03836	26.9
200.04428	100.0
200.06172	8.5
200.54567	9.6
219.45569	4.7
220.55843	7.7
237.02916	8.1
248.03387	10.1
264.41614	5.1
290.06348	100.0
290.12103	5.0
291.10623	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	290.0638
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17405	3.8
53.03930	4.4
54.03683	4.0
55.01879	4.8
55.05512	6.4
56.05025	4.5
56.96565	93.2
57.03424	19.0
58.06582	10.1
60.95835	6.4
61.02933	20.0
69.03439	28.2
70.06570	13.7
71.02013	4.1
71.04981	7.1
71.59916	4.8
71.95293	4.5
72.08159	47.1
72.51750	4.4
73.02910	11.2
74.06078	12.6
81.03419	12.4
84.04497	10.8
84.08128	15.3
84.96021	14.6
85.02913	54.0
86.09713	40.1
87.04462	11.1
95.55325	4.2
96.04488	6.3
97.02911	35.2
98.03197	7.8
98.97581	100.0
99.04456	10.2
101.07191	3.8
102.00976	5.6
109.02850	9.5
110.06026	22.5
110.97549	12.0
113.02409	5.0
113.03477	16.6
115.02425	5.2
115.03888	5.9
116.02525	4.4
116.07118	7.4
116.98618	82.5
119.01935	41.5
120.02006	45.6
121.01665	9.1
127.03922	19.3
127.67761	4.2
128.07079	14.6
128.10684	6.5
128.98596	13.2
129.10236	11.7
131.00133	13.4
131.01895	5.0
132.02040	7.3
132.52318	9.6
133.03448	11.2
133.04979	4.8
134.03583	13.9
134.99644	59.2
135.03226	7.0
137.02950	13.3
138.03050	15.8
142.96449	6.0
143.00150	9.1
143.03444	6.3
143.11798	17.9
144.02107	7.7
144.98087	4.7
145.01796	5.9
145.04912	4.8
146.99649	24.3
149.01244	6.3
149.02869	5.3
153.00699	7.0
157.13423	4.9
158.99626	12.9
161.01285	26.1
161.02936	16.1
162.03131	21.9
162.99181	9.1
163.02698	10.7
164.04575	8.0
165.00728	10.8
168.03624	15.0
170.99625	7.0
171.11250	5.8
173.02928	7.1
173.12843	36.1
174.03116	8.7
175.02763	5.2
177.00812	22.4
177.04172	60.5
177.54353	4.8
178.04945	4.6
179.02269	7.5
180.04567	18.6
185.12813	8.9
186.53317	7.1
188.01004	9.0
188.04660	12.0
188.54968	7.2
189.00752	5.7
189.02426	4.4
189.04282	5.1
190.02518	5.0
190.95419	5.4
192.04196	5.4
193.00250	12.8
195.53926	35.8
196.54677	8.4
198.11911	5.0
200.04625	10.5
201.12328	18.5
202.04089	4.4
203.02255	8.8
205.00058	5.6
205.05597	5.0
206.07054	4.7
207.01750	5.4
207.05417	7.9
209.03021	4.9
215.04361	7.4
216.00572	13.1
218.02179	13.1
219.01764	21.8
219.03632	5.6
222.05341	6.0
223.01270	11.7
224.04965	8.2
224.08025	8.2
228.01863	8.6
230.07013	13.8
237.02835	31.0
246.02917	6.8
247.03073	7.8
248.03284	22.1
248.08052	54.1
248.99190	32.7
250.97702	5.7
266.04263	7.2
266.09097	8.7
267.00266	28.4
290.07834	20.3
290.20633	5.0
308.05560	8.8
308.08939	14.6
309.04950	4.4
309.08517	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	289.2527
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03948	2.3
55.00921	0.9
55.01848	1.0
55.05270	1.1
55.05513	19.0
56.96566	7.2
57.03431	2.5
57.07084	8.2
59.04996	1.3
61.02909	3.1
65.03939	1.6
67.05510	31.9
69.03439	7.9
69.07072	37.5
71.05001	7.1
71.08624	2.8
71.59568	1.4
79.05497	28.7
79.05952	1.7
81.03427	6.2
81.07063	100.0
82.07373	1.5
83.04979	3.2
83.08619	13.3
83.98417	0.9
84.04515	10.0
85.02917	14.5
85.06540	3.5
86.03243	1.8
87.04466	1.9
91.05479	14.2
93.07054	57.5
94.07378	1.2
95.04975	19.3
95.08614	73.0
97.02928	5.0
97.06530	7.3
97.10184	7.8
97.10736	1.5
98.72093	0.9
98.97588	5.3
99.04451	1.9
99.08092	3.1
103.03965	1.6
105.07037	27.6
107.04989	2.0
107.08604	53.1
109.02885	1.0
109.06528	6.5
109.10160	42.6
111.04430	1.4
111.08096	3.8
111.11694	4.1
113.09649	1.8
116.98627	4.8
117.07011	4.3
119.08594	22.6
119.09436	1.3
121.06489	3.9
121.10159	35.6
122.09694	5.6
123.08067	3.2
123.11720	25.4
125.09591	2.7
125.13277	1.0
126.05492	2.5
127.03931	16.9
127.11185	4.0
127.94823	1.1
128.04254	0.9
129.01790	1.0
129.06999	2.2
131.08582	7.3
133.10139	25.5
134.10461	1.1
134.99657	2.5
135.08069	3.5
135.11710	27.5
136.08807	2.0
137.05951	3.8
137.09587	2.6
137.13269	10.5
139.11163	4.1
141.12749	1.2
142.07903	1.1
143.08516	2.6
145.04936	1.4
145.06502	1.3
145.10149	11.2
147.11694	16.7
149.09608	3.7
149.13268	35.6
151.11150	4.6
151.14780	1.5
153.01744	1.1
153.11473	0.9
153.12764	2.7
157.10120	3.9
158.99654	2.6
159.11694	11.6
161.09596	1.9
161.13275	12.8
163.11150	2.1
163.14838	8.3
165.09064	1.1
165.12773	4.7
169.10103	1.1
171.11731	1.6
173.09642	1.8
173.13286	8.8
175.11150	1.1
175.14856	8.1
177.00694	3.6
177.12764	1.7
177.16367	4.4
179.14294	3.1
183.11755	1.3
185.09521	1.3
187.14848	7.0
189.16422	4.7
191.17937	3.9
193.15814	1.2
201.16385	4.4
203.10677	4.0
203.17987	4.0
207.13623	1.0
207.61682	1.0
211.14671	1.2
215.17950	5.9
217.19644	1.5
219.17429	1.2
220.21634	0.9
228.12898	1.3
229.15872	1.7
229.19496	1.9
231.09016	1.4
231.13884	1.8
231.88748	1.1
233.18991	2.1
243.21017	1.3
244.42293	1.3
245.22739	1.9
253.15810	1.5
258.14801	5.3
258.64819	1.8
261.25806	1.3
267.08932	5.2
271.13727	2.9
271.16901	2.8
271.24258	17.3
271.63971	1.9
278.66241	1.0
280.14362	9.5
280.64481	1.9
285.10190	2.8
289.06302	2.0
289.10965	1.7
289.14886	4.0
289.18054	9.7
289.21667	5.4
289.25250	65.1
290.08661	2.6
290.25616	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	289.2528
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03948	3.3
55.01885	1.7
55.05512	27.1
56.96558	6.4
57.03422	3.3
57.07083	11.3
59.04981	3.3
61.02919	2.1
62.09188	1.8
67.05171	2.9
67.05508	38.7
69.03417	5.5
69.06718	2.9
69.07070	44.8
70.07393	3.5
70.99609	4.8
71.04995	17.9
71.08623	3.8
73.02892	2.7
79.05493	34.3
80.05824	2.0
81.03419	4.4
81.07058	100.0
82.07359	2.7
83.04990	8.8
83.08635	16.8
84.04502	9.8
85.02902	11.5
85.06525	3.6
91.05482	22.2
93.07043	81.6
95.04964	32.9
95.08611	81.2
95.09074	1.0
96.08921	2.4
97.02868	3.4
97.06522	7.7
97.10168	8.4
98.97578	4.5
99.04449	2.1
99.08085	3.5
103.03889	2.1
105.07026	35.5
107.08598	74.8
109.06495	6.6
109.10162	51.4
111.08089	4.3
111.11726	4.5
113.09633	1.9
116.98576	4.2
117.07014	5.9
118.29084	2.1
119.01919	3.8
119.07781	3.0
119.08587	35.8
121.06505	4.5
121.10144	60.5
123.08082	4.3
123.11712	34.3
125.09592	3.4
125.13278	2.5
126.05532	3.5
127.03904	23.0
127.11188	12.0
129.06981	3.8
131.01909	2.8
131.08604	10.4
132.95830	1.8
133.03488	2.5
133.06619	1.9
133.10129	43.8
134.99686	2.1
135.08061	6.1
135.11700	43.5
136.07674	2.0
137.13263	11.8
139.11168	4.2
143.08519	2.6
145.03485	8.4
145.10130	15.2
147.08102	3.7
147.11694	23.2
149.09676	2.4
149.13269	55.9
151.07571	2.3
151.11078	3.0
151.14801	4.2
153.01929	2.1
153.12762	4.3
155.08505	2.0
157.10194	3.1
158.99696	2.7
159.08121	2.1
159.11687	21.7
161.13266	19.4
163.04506	3.4
163.11287	3.0
163.14853	9.9
165.12769	3.2
169.03427	8.4
169.10269	2.2
171.11693	2.5
173.13312	9.5
175.14815	8.5
177.00687	2.2
177.16431	5.5
179.14378	2.3
187.04555	23.5
187.11267	2.3
187.14824	9.0
189.16393	8.4
191.17976	4.5
201.16483	8.8
203.17941	12.3
207.61566	3.2
210.06044	2.2
215.17960	7.8
217.19446	2.9
229.05652	4.3
229.15846	2.4
231.13705	3.0
233.18860	2.7
243.17232	2.1
243.20813	2.1
247.06747	2.3
247.16815	2.4
261.25909	2.5
271.16934	6.0
271.20963	3.1
271.24149	23.6
272.51266	1.8
279.63690	12.7
280.13922	2.8
288.64258	26.9
289.06064	7.0
289.14441	12.3
289.18033	14.8
289.21716	6.9
289.25244	89.3
290.08786	2.8
290.25616	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	289.2525
Annotation	all-trans-13,14-Dihydroretinol
Peak:m/z	Relative Intensity
53.03925	1.5
55.05511	14.3
56.96557	3.6
57.03429	1.6
57.07079	8.7
65.03950	1.1
67.05170	1.6
67.05505	25.2
69.03411	2.7
69.07070	37.1
70.06569	3.4
71.04978	3.4
71.08635	1.2
79.05495	15.2
81.03406	2.0
81.07056	100.0
82.07362	2.2
83.04962	3.0
83.08614	9.8
84.04512	10.0
85.02898	4.0
85.06526	2.8
88.07619	1.9
91.05467	9.4
93.06480	1.7
93.07041	28.9
95.04999	5.6
95.08604	99.8
97.02882	1.3
97.06522	7.8
97.10155	4.2
98.20722	2.5
98.97588	1.5
99.08106	1.5
103.03919	1.4
105.07033	14.9
107.08593	28.9
109.02854	2.1
109.06502	4.5
109.10155	34.2
111.08105	2.5
111.11705	6.6
114.09103	1.1
116.98599	1.9
117.07009	2.9
119.01933	1.9
119.08581	15.6
121.06465	1.8
121.10141	21.9
123.04377	1.4
123.08080	1.9
123.11706	29.7
125.09629	2.9
126.05531	2.0
127.02989	1.4
127.03912	26.4
129.07024	1.3
131.08536	4.9
132.10190	4.2
133.10139	12.1
134.99644	1.6
135.08020	3.3
135.11691	15.9
137.09595	3.2
137.13255	67.9
139.11160	6.0
145.10127	8.0
147.07977	2.1
147.11708	12.5
149.09599	1.2
149.13269	12.8
150.11276	3.9
151.11188	1.7
157.10126	2.3
159.08005	1.6
159.11723	8.9
161.09584	1.3
161.13258	7.2
163.14813	6.4
165.09081	3.6
165.12857	1.4
171.11670	2.4
173.09612	1.7
173.13197	5.5
175.14838	5.5
177.00748	1.4
177.12761	1.5
177.16379	3.9
179.14230	1.9
185.13184	1.2
187.14844	6.5
189.16354	3.6
191.17972	2.0
193.15895	1.7
196.54570	1.2
201.16409	2.6
205.12372	1.3
215.17967	4.3
229.15884	1.3
229.19499	1.8
231.13809	3.9
236.24147	1.2
243.20908	1.5
245.22762	1.8
246.24344	1.9
247.16846	1.9
271.17050	2.5
271.20990	1.8
271.24188	15.4
285.10126	1.3
289.06146	3.7
289.14871	1.9
289.18024	12.7
289.21649	4.9
289.25223	48.0
290.08615	3.0
290.21252	2.9
290.26913	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	289.2162
Annotation	3-Methoxyestra-2,5(10)-dien-17beta-ol
Peak:m/z	Relative Intensity
50.39889	2.0
53.03944	2.6
55.01881	2.8
55.05505	16.8
56.76047	2.4
57.03429	4.9
57.07064	4.9
59.05009	3.7
60.73807	2.1
66.03646	2.4
67.05504	13.0
69.07072	13.9
71.59503	2.7
71.59881	3.5
72.12193	2.1
72.91911	2.0
76.67090	2.3
79.05485	19.1
81.07066	29.3
83.08612	10.5
83.09051	2.2
85.06532	8.1
91.05485	40.6
93.07044	17.7
95.04945	5.7
95.08607	16.5
97.06520	3.2
97.10146	5.8
99.04446	2.4
105.07033	66.8
107.08591	15.4
109.10152	7.2
117.07034	14.4
119.08597	41.9
121.06570	3.3
121.10138	11.2
123.08064	2.5
123.11711	4.0
125.09572	5.1
127.03936	41.9
129.06998	3.4
131.08586	21.1
133.09222	4.5
133.10130	40.4
135.08011	5.1
135.11703	5.8
143.08556	5.7
145.10132	31.2
147.11682	41.0
149.09589	4.0
151.11136	2.9
155.08559	3.3
156.13853	5.2
157.10172	4.1
159.11708	13.1
161.09715	2.8
161.13235	11.8
163.07550	2.9
163.11145	2.8
171.11688	10.2
173.13258	11.0
175.14761	2.8
179.82657	2.4
183.11678	5.0
187.11308	3.3
187.14879	3.5
197.13284	6.6
201.12784	3.0
215.14375	5.5
239.17960	9.5
257.19006	27.9
271.16846	3.9
271.20407	3.3
289.06390	3.0
289.18039	21.9
289.21594	100.0
289.25009	4.9
289.29218	3.6
290.21860	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	289.0707
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
55.01875	0.6
55.05505	2.2
56.96566	3.5
57.07070	0.8
57.70249	0.5
67.01863	5.0
67.05498	1.5
68.99789	4.3
69.03425	2.1
69.07061	4.1
69.26939	5.7
70.75247	0.5
71.04984	1.5
73.35207	0.4
78.52346	0.6
79.05493	2.3
80.58127	0.4
81.03410	2.1
81.07057	4.9
83.04971	2.0
83.08623	0.8
84.08115	0.6
84.96033	0.8
85.02899	2.3
85.06532	0.7
86.09645	0.5
89.03912	3.9
91.05478	1.9
92.17017	0.5
93.07039	2.2
95.04966	1.8
95.08606	2.8
97.02885	2.0
97.06515	1.9
98.97575	4.6
99.08053	1.1
105.07030	2.4
106.74687	0.5
107.04967	2.4
107.08601	1.3
109.02878	0.7
109.06506	0.7
109.10112	3.0
111.00819	2.8
111.04451	2.7
111.08091	0.8
115.07544	2.7
116.98636	5.0
117.03378	6.4
117.06986	0.8
119.08574	1.7
120.08121	0.8
121.06494	1.2
121.10139	1.7
122.06066	0.9
123.04432	5.8
123.11696	0.8
127.03915	9.8
127.11269	0.8
128.06224	0.7
128.98628	2.0
129.01802	0.7
129.07013	0.6
130.06541	3.5
131.04909	0.8
131.08513	0.8
133.10104	1.6
134.99654	3.3
135.04413	14.8
135.11681	1.1
137.02303	0.8
137.05946	1.2
138.09143	0.6
139.03899	1.5
140.07111	0.8
144.07997	0.7
145.02855	10.5
145.10100	1.4
146.06013	1.2
146.99632	2.3
147.08025	0.7
147.11682	1.0
148.07600	0.9
148.21404	0.5
149.13264	1.0
150.05516	0.6
151.03822	0.8
152.07034	0.7
153.01828	100.0
153.12729	0.9
154.02057	0.6
157.10121	1.1
158.06026	3.6
158.99658	1.0
159.04448	1.4
159.08072	0.8
159.11702	0.7
161.01251	1.5
161.05930	0.9
161.09566	1.2
163.03906	60.5
170.99684	1.7
171.02892	26.5
171.11652	0.8
177.00706	2.4
179.03418	6.9
185.09865	0.6
186.10364	0.5
187.04015	1.8
189.00807	0.8
197.13202	0.6
205.04933	1.2
206.49130	0.7
215.07042	0.7
219.01765	1.5
237.02687	3.6
243.06419	0.8
243.14981	1.5
253.04945	1.3
260.04361	0.7
261.08719	0.7
271.06076	4.7
271.10687	0.8
271.14447	1.7
271.17151	1.0
289.07062	96.0
289.14728	2.3
289.18060	2.9
289.21652	1.4
289.25040	0.9
290.07349	1.6
307.10632	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	289.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01860	2.0
55.05486	2.2
56.05026	1.4
56.96566	17.7
57.03439	7.7
58.06572	1.5
58.99843	1.3
59.04989	1.0
60.05625	2.6
60.95855	0.8
61.02651	0.9
61.02935	14.0
67.05503	1.4
68.05012	0.8
69.03082	1.0
69.03432	13.3
69.03801	1.0
69.32801	0.6
69.59193	1.0
69.59600	4.5
70.03751	2.3
70.06596	12.5
70.98123	0.9
71.01356	1.7
71.05002	5.6
71.06927	4.3
72.05319	1.3
72.08164	3.4
73.02922	9.0
74.03249	0.8
74.06092	1.2
77.00896	2.2
81.03426	6.0
81.04536	2.6
81.07037	1.8
82.03780	1.0
82.06582	1.3
82.99867	3.0
83.01323	1.4
83.04980	1.6
83.06098	1.0
84.04497	2.9
84.08149	8.2
84.96036	1.3
85.02908	22.8
85.06552	1.3
86.03223	2.9
86.06075	0.9
86.09707	4.2
87.04474	3.3
87.10011	0.8
88.99185	0.8
89.00778	0.7
91.02357	1.3
91.03949	2.3
93.07064	0.7
95.00782	0.8
95.01938	1.1
97.02334	1.1
97.02893	17.7
98.02652	0.8
98.03221	3.6
98.20839	1.0
98.97588	12.6
99.04477	3.7
99.97894	1.0
101.00874	13.5
102.96891	1.5
103.02474	0.9
104.01273	1.5
105.00386	1.1
105.02122	1.0
106.02856	2.4
109.02882	2.7
109.07655	3.4
110.01303	1.6
110.51465	0.9
110.97567	1.8
111.02036	0.9
111.05585	0.8
111.09261	0.7
112.08734	1.2
112.99142	5.9
113.00896	0.9
113.01704	1.0
113.03552	1.2
113.07040	0.8
114.05507	1.1
115.02448	10.9
115.03339	1.8
116.07101	2.6
116.98621	11.7
117.01927	0.8
117.03960	1.4
117.05502	0.9
117.07484	0.8
117.99004	1.1
118.02831	1.0
119.01922	100.0
120.02013	2.2
120.97950	1.7
121.01608	1.3
121.03502	1.2
122.07173	0.8
125.07144	2.6
126.00735	0.9
126.05507	2.6
127.00706	0.8
127.02503	0.8
127.03923	21.3
127.05031	5.0
127.05927	1.2
127.08699	7.1
128.02345	2.2
128.04257	1.5
128.10735	2.7
128.52507	0.8
128.66982	0.9
128.98637	2.7
129.04005	2.8
129.10222	4.1
130.02853	1.0
131.00192	13.4
131.01901	13.9
131.53810	0.8
132.00526	2.9
132.02637	0.9
132.97882	0.7
133.03473	30.6
133.24040	0.8
134.03581	1.3
134.99660	7.2
135.03128	1.7
135.05043	2.3
137.02959	39.1
138.03101	1.3
139.03375	1.6
139.53566	0.9
140.02325	3.0
140.54292	0.8
141.03088	1.6
142.03491	4.0
143.00217	1.7
143.01881	10.7
143.03566	0.9
143.08241	0.9
144.99799	4.1
145.01660	3.3
145.03490	8.7
145.04987	1.4
146.02164	1.3
146.99644	5.7
147.01414	1.8
147.03174	1.9
147.05055	5.4
148.02086	0.8
148.03885	2.1
148.54013	0.9
149.01221	12.9
149.02914	9.5
149.53049	1.6
150.01630	2.6
150.03546	1.4
150.05481	0.7
150.98950	1.2
151.04538	7.3
153.00551	1.6
154.03877	1.5
154.53996	1.0
155.01941	3.0
155.53084	1.0
156.05083	1.7
157.03531	2.5
158.01218	1.0
158.09395	0.9
158.99690	2.3
159.01486	1.1
160.04562	1.0
160.53989	0.8
160.97575	2.1
161.01343	4.0
161.02962	47.4
161.06641	1.8
162.03180	0.7
162.99237	0.9
163.00862	1.5
163.02914	5.7
163.04477	9.6
163.54657	1.7
164.03279	1.8
164.04593	1.3
165.00732	3.1
167.02182	3.5
168.03676	1.2
168.24768	0.7
168.99791	6.4
169.03328	0.8
169.04469	9.2
169.54581	8.3
170.01358	0.9
170.03308	1.1
170.04721	1.2
170.99960	1.3
171.01450	4.3
171.03989	0.8
173.01476	1.1
173.02962	10.8
175.00948	2.0
175.02814	2.8
175.04546	3.1
175.11920	3.7
176.03328	1.8
176.12340	1.8
177.00850	4.6
177.02469	1.9
177.04117	4.3
177.54326	1.1
178.01028	1.2
178.04935	31.0
178.55113	38.5
179.02286	2.2
179.03896	5.1
179.05304	8.0
181.00060	1.2
181.03732	1.3
183.05104	0.9
184.04637	3.1
185.03026	2.2
185.55949	1.2
186.04697	2.5
187.00900	22.4
187.04504	14.9
188.97128	1.6
189.00746	2.3
189.02403	12.4
189.04025	0.9
189.06076	1.1
189.55733	4.8
190.05960	6.0
191.02287	2.3
191.03966	13.8
191.05814	1.0
191.54034	1.7
193.00215	2.6
193.02129	1.3
193.03900	5.5
193.05521	1.1
194.04295	0.9
196.99370	3.3
198.02882	1.1
198.04713	0.8
198.54890	1.3
199.00848	5.4
199.04597	7.8
201.02538	2.5
201.06155	2.3
203.00528	1.1
203.04158	2.3
205.00246	1.7
205.01949	12.3
205.03896	1.5
205.05545	5.9
206.98125	1.7
207.01717	1.6
207.03580	4.6
207.05310	1.1
207.07143	1.3
207.55455	1.9
207.57294	3.5
208.05634	2.2
208.99706	1.0
209.03337	0.8
211.04776	4.7
214.05846	1.3
214.56293	0.8
215.00377	21.5
215.06087	1.0
216.99908	1.3
217.01959	18.5
217.05464	5.4
219.01767	3.1
219.03618	7.5
220.02144	1.1
220.99791	1.0
221.04921	3.3
222.05821	1.0
223.02975	1.0
227.55109	1.1
229.01938	7.0
229.05519	5.8
231.03604	2.5
233.01575	3.0
237.02740	6.2
238.01968	1.6
240.03581	1.2
242.05414	2.1
242.55623	6.0
243.06334	1.1
243.56572	2.3
247.03050	26.3
249.56876	1.0
250.42671	0.9
250.57253	1.7
257.01605	1.3
257.05316	1.3
257.15195	0.9
259.03195	1.3
259.06772	2.5
265.04086	8.8
270.04715	3.2
271.07339	1.4
271.14023	1.1
272.17892	1.1
272.56711	8.5
273.06909	2.3
275.02933	0.8
277.04196	2.2
279.57718	1.6
280.08109	2.1
281.05600	1.1
288.05756	0.8
288.20456	1.0
288.60162	9.1
289.04037	3.7
289.08890	49.7
289.14493	1.5
289.17722	2.7
289.20795	12.1
289.25314	1.3
290.06564	1.7
293.05743	0.9
295.06998	1.1
296.07620	1.2
299.06415	0.9
307.05237	6.7
307.08920	11.8
307.11990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.057
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.0
64.55138	0.0
67.01860	0.9
67.05469	0.0
68.02199	0.4
68.99438	0.1
68.99786	0.9
69.03421	0.1
70.00117	0.2
70.76923	0.1
71.04970	0.1
79.05471	0.2
80.05808	0.1
81.03393	0.1
81.07076	0.1
83.01320	0.0
85.02900	0.2
86.00106	0.0
86.09685	0.1
89.03902	0.3
90.04243	0.3
91.05470	0.1
97.02892	0.1
107.04948	0.1
108.05293	0.1
109.02885	0.1
111.00776	0.1
111.04395	0.1
112.01129	0.1
112.04723	0.1
116.05818	0.1
117.03384	0.3
118.03679	0.3
123.04424	0.1
126.02793	0.0
127.03917	0.1
129.01813	0.3
130.02188	0.1
135.04411	1.8
136.04742	2.1
137.02333	0.6
138.02676	0.5
140.05751	0.1
147.04353	0.1
148.04800	0.1
150.02548	0.0
153.01819	5.2
154.02155	4.6
155.02286	0.1
157.06505	0.1
158.06836	0.1
161.02327	0.5
162.02664	0.7
171.02901	0.8
172.03238	0.7
172.04640	0.1
179.03342	0.2
180.03667	0.3
185.05949	0.1
186.06302	0.2
187.24493	0.1
190.05745	0.1
196.04825	0.1
200.04164	0.1
202.05852	0.1
203.03241	0.1
204.03703	0.2
204.07457	0.1
213.05466	0.1
214.05830	0.4
215.09436	0.0
219.06371	0.1
220.06902	0.1
228.03781	0.1
232.06825	0.2
238.61787	0.1
241.04843	0.2
242.05258	1.0
245.04150	0.1
246.04790	0.1
260.06265	0.2
260.08975	0.1
264.05814	0.1
270.04803	0.9
271.05371	0.1
287.05118	0.1
288.05814	100.0
289.06046	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	287.2579
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32795	2.6
55.05505	27.4
57.03431	3.5
57.07071	32.5
65.65553	2.4
67.05492	15.8
67.16885	3.0
69.06721	4.0
69.07066	44.6
69.48222	20.6
71.04970	2.8
71.08618	16.1
77.63752	2.5
79.05494	15.6
81.07050	33.4
83.04969	4.9
83.08616	30.8
85.06527	4.5
85.10176	6.8
91.05483	5.0
93.07037	21.1
95.04939	2.9
95.05917	2.4
95.08609	27.7
97.06508	12.0
97.10163	21.0
98.20784	4.6
101.09607	2.5
107.08578	18.7
109.10143	15.4
111.08079	10.1
111.11715	5.9
115.07540	4.5
119.08616	4.7
121.02862	2.5
121.10130	24.1
123.11684	9.1
125.09621	7.4
133.10182	4.2
135.11719	16.3
139.11166	14.5
143.08592	2.8
143.10608	2.9
149.13260	17.3
153.01820	7.2
153.12762	6.4
159.11661	4.4
160.95247	2.6
161.13113	2.8
163.14868	12.9
171.11665	2.9
176.12892	3.8
177.16344	2.8
203.12796	13.3
219.21033	25.4
237.22133	26.6
256.26379	6.0
269.22556	5.4
287.05496	100.0
287.20117	6.3
287.23660	9.5
287.28284	3.2
288.05795	7.1
289.92331	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	287.2371
Annotation	Retinol
Peak:m/z	Relative Intensity
53.03948	0.7
55.05515	5.1
56.96554	0.5
57.03424	0.5
57.07064	1.1
67.01855	1.4
67.05501	5.0
68.99780	1.2
69.03436	2.3
69.07072	10.5
69.31305	3.5
69.31725	1.4
69.51019	0.4
71.05004	0.7
79.05492	4.8
81.03405	0.6
81.07059	13.5
83.08622	2.8
85.02916	0.7
85.06548	0.7
86.09705	0.5
91.05489	4.8
93.07050	16.3
95.04977	2.4
95.08054	0.7
95.08613	10.3
97.06540	1.6
97.10147	1.0
103.05475	0.4
105.07030	9.5
107.08601	12.9
109.06527	1.3
109.10162	5.9
111.08124	1.0
111.11744	0.7
117.07028	1.4
119.08591	8.7
121.06508	1.2
121.10149	13.8
123.08037	0.8
123.11704	3.6
125.09748	0.6
127.11182	0.6
129.06981	0.7
131.08609	3.2
133.10123	6.5
135.04424	4.4
135.08083	0.6
135.11696	7.9
137.02362	1.2
137.09578	0.8
137.13260	0.9
139.11128	0.9
143.08563	1.5
145.10118	4.7
147.11707	5.8
149.09627	1.4
149.13271	2.9
151.11157	0.7
153.01834	9.2
157.10143	2.7
159.11690	5.0
161.02379	1.4
161.09615	0.9
161.13275	3.2
163.11165	2.3
163.14799	1.6
165.12811	1.0
171.02893	1.2
171.11678	1.7
173.13281	3.2
175.11160	0.6
175.14836	2.0
177.12727	1.0
177.16408	0.8
185.13232	1.9
187.14827	1.9
189.16396	1.2
193.15881	1.3
199.14816	2.2
201.16434	2.5
203.18065	0.7
208.32133	0.4
213.05402	0.7
213.16386	3.8
215.17952	0.5
217.15749	0.5
227.17920	1.3
229.19556	0.9
231.17432	0.8
241.04956	1.3
243.20949	0.7
245.40437	0.5
251.05357	0.4
269.04443	1.2
269.22647	6.4
269.27069	0.5
287.05515	100.0
287.20270	1.1
287.23694	25.3
287.27341	1.5
288.05801	7.9
288.24030	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	287.237
Annotation	Helicallenal
Peak:m/z	Relative Intensity
51.39816	2.1
55.05497	5.0
65.81734	2.0
67.05495	7.7
69.07059	6.0
69.74830	14.7
71.04974	4.5
71.08660	2.1
73.78248	2.2
79.05487	2.9
81.07059	20.8
83.08601	2.7
91.05480	6.6
93.07046	14.6
95.04993	2.4
95.08624	13.9
97.06533	2.1
105.07042	11.0
107.08588	15.0
109.10159	19.6
110.97481	2.0
117.07014	3.1
119.08603	14.3
121.06504	2.1
121.10114	11.1
123.08026	3.0
123.11743	4.3
131.08589	5.5
133.10112	8.9
135.04335	2.2
135.11679	4.7
137.09601	3.3
143.08562	4.1
145.10106	7.7
147.11661	6.7
149.13246	9.7
153.01843	9.7
157.10123	4.8
159.11655	10.1
160.21060	2.2
161.13264	10.2
163.14853	3.4
165.01796	3.0
171.11687	3.8
173.13274	7.6
175.14906	2.5
185.13237	2.2
187.14885	3.8
189.16353	5.8
203.17966	2.8
213.16443	8.6
217.19460	2.7
229.19542	4.3
251.65759	2.4
269.22659	28.3
287.05518	100.0
287.20123	12.2
287.23721	46.8
287.31415	3.8
288.05869	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	287.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34148	1.2
55.05506	2.9
56.96562	1.3
57.07072	3.1
67.01849	1.5
67.05490	4.3
69.03418	1.5
69.07060	3.7
70.06559	3.4
70.76697	3.7
71.05000	2.0
71.08612	1.1
79.05479	5.0
79.56668	1.3
81.03430	1.4
81.07032	4.0
83.08604	1.9
88.07636	7.7
91.05467	7.5
93.07056	6.6
95.04984	7.4
95.08608	8.6
97.06516	2.3
103.05467	1.6
105.07028	11.0
106.08669	14.2
107.08581	6.2
109.06535	3.8
109.10128	4.3
111.08099	2.9
117.07001	1.7
119.08614	7.9
121.06541	3.3
121.10147	8.1
122.32301	1.5
123.08050	5.3
126.03728	1.2
129.06993	1.7
131.08585	8.9
133.10114	6.9
135.04420	2.9
135.08101	2.5
135.11751	1.9
137.02327	2.4
137.09599	1.9
142.07764	1.8
143.08571	6.0
145.10129	8.6
147.08075	2.3
147.11696	4.7
149.09634	2.7
153.01822	9.8
156.09328	2.3
157.10135	5.4
158.10947	3.2
159.08080	1.6
159.11687	3.9
169.10190	1.4
170.10931	2.9
171.11729	7.7
173.13295	9.6
175.11168	1.7
181.10100	1.9
183.11687	2.1
185.13268	10.8
187.14848	2.6
199.14873	3.0
199.19797	1.3
209.13287	2.0
211.14812	2.0
213.12773	3.1
231.25099	4.5
241.04993	1.5
251.17924	1.9
269.19153	7.2
269.22443	1.1
284.12820	1.6
284.62799	1.3
287.05511	100.0
287.16589	1.7
287.20004	4.5
287.23682	2.8
287.31351	22.3
288.05902	5.9
288.25443	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	287.2005
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
54.27525	1.2
55.01880	1.2
55.05500	4.0
55.50038	1.1
57.07069	3.0
59.05005	1.9
62.91121	1.3
67.05513	9.4
69.03417	3.9
69.07055	7.4
69.31593	12.8
70.06559	1.3
71.04984	2.0
79.05494	6.0
81.07067	8.3
83.04963	3.0
83.08601	1.3
91.05497	7.5
93.07034	11.7
95.04960	11.2
95.08600	11.2
97.06501	5.0
98.98445	1.6
105.07037	14.2
106.85906	1.1
107.04924	1.4
107.08587	18.4
108.71434	1.3
109.06538	3.7
109.10171	7.3
111.08051	1.5
115.05440	1.5
117.07002	3.3
119.08575	16.4
120.46890	1.3
121.06487	4.3
121.10158	15.8
123.08066	2.2
123.11719	2.1
128.06239	2.9
129.06996	5.0
130.07768	1.3
131.08577	11.6
131.56340	1.1
133.10107	10.3
134.10892	1.6
135.04420	3.0
135.08051	2.6
135.11679	2.9
137.09592	1.4
141.07022	1.6
142.07748	3.6
143.08549	9.8
144.09373	3.3
145.06482	1.4
145.10136	12.3
147.08064	2.8
147.11679	6.3
149.09624	2.4
149.13274	1.7
153.01831	9.4
155.08540	2.6
156.09354	4.2
157.10118	10.8
158.10878	4.7
159.08099	1.7
159.11708	13.1
161.09619	3.7
161.13258	3.8
163.11090	1.5
165.07010	1.5
169.10190	2.8
170.10931	5.1
171.11678	12.9
172.12373	1.4
173.13266	18.9
175.11148	1.7
175.14807	2.5
177.12662	1.6
183.11642	1.5
184.12473	1.7
185.13266	9.9
186.14015	2.1
187.11229	2.7
187.14815	5.2
189.12717	3.5
191.14223	1.9
195.11661	5.2
197.13278	1.9
198.10396	1.5
199.11133	2.7
199.14923	3.3
203.14372	4.8
209.13202	1.6
211.14807	3.4
213.05499	1.4
213.12737	10.4
213.16353	1.5
223.95660	1.2
225.16315	2.6
227.14244	3.0
229.15889	3.1
231.13792	5.9
241.15822	2.2
241.19513	3.8
245.15332	2.7
251.17969	1.9
269.18988	28.2
269.22107	1.3
287.05493	100.0
287.16495	7.2
287.20038	59.5
287.23553	4.9
288.05823	9.4
288.28888	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	287.2005
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
53.03936	1.8
55.01851	1.2
55.05514	8.1
56.96558	3.1
57.07062	4.2
59.04997	3.1
67.05507	14.2
69.03414	3.9
69.07060	11.6
71.05000	3.1
71.59475	1.6
73.18475	1.6
79.05493	8.7
81.03433	2.0
81.07057	18.0
83.04962	3.9
83.08617	3.4
85.06531	2.9
91.05473	12.2
93.07046	19.9
93.12430	1.4
95.04975	17.2
95.08606	17.6
97.06544	9.2
97.10154	1.4
97.38892	1.2
98.98463	1.4
105.07033	19.4
107.08591	22.9
109.06529	7.9
109.10166	10.5
111.04449	1.7
111.08077	3.4
111.81302	1.6
115.05448	1.5
116.06227	1.3
117.07054	7.3
119.08591	23.3
121.06477	3.8
121.10141	22.8
123.08064	4.6
123.11670	5.3
125.09662	2.0
128.06201	2.6
129.07007	6.4
131.08566	19.5
133.10146	13.3
134.99637	1.6
135.04422	4.2
135.08070	4.6
135.11678	5.4
137.09532	3.8
141.07004	2.2
142.07774	5.2
143.08572	14.9
144.09351	3.6
145.10141	18.7
147.08049	4.9
147.11691	8.4
149.05966	2.7
149.09634	7.9
149.13231	1.7
153.01807	7.8
153.07019	2.3
155.08534	4.1
156.09341	8.1
157.06483	2.0
157.10141	16.2
158.10880	4.6
159.11682	18.5
161.09575	3.7
161.13318	6.5
163.14777	1.8
165.06964	1.4
169.10121	4.9
170.10849	6.4
171.08081	2.0
171.11693	16.0
172.08786	1.5
172.12471	1.4
173.09636	3.6
173.13260	20.4
174.13963	1.9
175.07428	2.0
175.11172	3.3
175.14799	4.1
177.12801	2.3
179.08595	1.6
180.09258	1.7
181.10112	3.5
183.08148	1.8
183.11708	4.2
185.09610	2.0
185.13260	15.5
186.14056	1.8
187.11220	6.6
187.14778	8.7
189.09088	1.5
189.12776	5.7
191.07068	5.1
191.10660	4.4
191.14247	3.2
195.11615	5.9
196.12453	3.8
197.13313	2.7
198.10474	2.5
198.13980	1.7
199.11192	4.2
199.14790	4.8
200.11795	1.7
201.12712	2.4
201.16306	3.0
203.14355	4.0
209.13252	4.0
211.14783	7.0
213.12769	14.1
213.16402	1.8
223.14856	1.5
225.12852	1.6
227.14276	4.8
229.15939	4.6
231.13808	8.1
236.15695	1.7
241.04948	2.5
241.15759	1.8
241.19542	5.8
251.17984	3.7
269.18997	36.0
269.22247	2.0
287.05508	100.0
287.12979	2.9
287.16580	4.4
287.20074	76.0
287.23611	7.7
288.05865	8.2
288.20349	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	287.2005
Annotation	1-Methylestra-1,3,5(10)-triene-3,17beta-diol
Peak:m/z	Relative Intensity
53.03946	1.5
53.59214	1.1
55.05497	4.1
56.96545	1.9
57.07063	2.1
67.01864	1.5
67.05491	4.6
68.99792	1.4
69.03413	3.3
69.07053	5.1
71.04987	1.5
76.51264	1.2
79.05499	5.6
81.07053	6.9
81.40931	1.0
83.04974	2.2
91.05460	8.3
93.07034	9.4
95.04967	8.0
95.08601	7.2
97.06496	2.7
97.10185	1.2
105.07021	9.5
107.08585	10.7
109.06525	3.7
109.10132	5.3
111.08102	1.5
117.07035	1.8
119.08565	10.1
121.02842	1.4
121.06491	3.5
121.10135	12.2
123.08051	2.2
123.11694	2.2
129.07004	2.8
130.07797	1.6
131.08582	7.3
131.09540	1.2
133.10143	8.2
135.04414	3.9
135.08040	2.3
135.11723	1.7
137.02254	2.1
143.08519	4.7
145.10127	7.6
147.08031	1.7
147.11690	3.8
149.09613	5.4
153.01846	10.8
155.08565	1.7
156.09288	3.1
157.10104	8.6
158.10925	1.7
159.08008	2.0
159.11664	6.1
161.09561	1.9
161.13174	2.2
163.11246	1.4
169.10127	2.1
170.10855	3.1
171.07985	1.4
171.11697	5.6
173.09612	1.8
173.13255	9.1
175.11247	2.9
177.12746	1.3
183.11630	2.1
185.13242	5.8
186.14059	1.5
187.11169	1.7
187.14771	3.8
189.12708	3.6
191.14278	2.6
195.11716	1.9
199.11229	1.9
199.14758	2.8
203.14340	2.1
211.14723	1.5
213.12854	6.2
213.16405	1.5
227.14178	1.6
227.17870	1.2
229.16077	1.5
231.13719	2.6
241.19530	2.8
251.17993	2.6
269.19016	15.3
287.05496	100.0
287.16577	2.4
287.20078	37.2
287.23633	4.6
287.27835	1.9
288.05759	7.3
288.29022	4.1
291.34802	1.4
303.45886	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	287.2004
Annotation	CHEBI:70569
Peak:m/z	Relative Intensity
51.40451	1.0
55.05507	5.3
56.96561	1.1
57.07063	3.0
59.04980	1.3
62.24038	0.8
67.01843	1.6
67.05507	7.7
68.99784	1.7
69.03410	1.5
69.07067	7.0
69.48311	8.3
70.08801	0.8
71.04987	2.3
79.05487	6.7
81.07051	9.2
83.04966	2.5
83.08614	2.5
85.06544	1.6
91.05476	7.7
93.07043	10.1
95.04971	9.6
95.08607	11.2
97.06538	4.7
103.05424	1.3
105.07016	11.5
107.04939	1.6
107.08595	12.3
109.06508	4.0
109.10191	5.9
109.10790	1.2
111.04444	0.9
111.08067	1.1
115.05453	1.2
117.07001	4.7
119.08574	11.9
121.06505	4.2
121.10146	13.2
123.08038	2.1
123.11694	2.2
128.06253	1.6
129.06989	3.3
130.07831	1.3
131.08562	11.6
133.06467	1.3
133.10120	9.6
134.10898	1.3
135.04382	3.6
135.08022	2.6
135.11681	3.1
137.02324	1.3
137.09624	2.1
139.52625	0.8
141.06990	1.3
142.07793	2.4
142.82826	0.9
143.08560	8.4
144.09323	2.4
145.06499	1.4
145.10117	12.7
147.08051	2.7
147.11696	5.6
149.06003	1.9
149.09624	5.0
149.13260	1.8
151.11053	1.1
153.01811	8.6
155.08507	1.7
156.09348	4.7
157.10109	12.7
158.10889	3.8
159.08037	2.2
159.11688	11.5
161.09624	3.4
161.13271	3.2
163.11247	1.7
169.10114	3.3
170.10896	3.7
171.11693	9.6
172.08765	1.4
172.12410	1.0
173.09634	2.4
173.13249	12.1
175.07567	1.3
175.11182	2.0
175.14830	2.3
177.12749	0.9
180.09279	1.8
181.10094	2.1
183.11685	2.1
184.12457	1.5
185.09622	1.6
185.13242	8.1
186.14034	2.0
187.11171	3.1
187.14789	5.2
189.09105	1.0
189.12776	3.5
191.07091	2.1
191.10678	2.6
191.14281	1.7
195.11577	4.1
196.12360	1.1
197.13193	2.4
198.10410	1.1
199.11192	2.5
199.14810	4.2
201.16360	0.9
203.14322	3.6
205.15836	1.2
209.13274	2.4
211.14859	3.0
213.12747	7.6
213.16393	2.1
225.16382	1.3
227.14333	2.9
229.15759	2.2
231.13823	5.9
241.19519	3.5
251.17973	1.4
259.20520	1.3
269.19019	22.3
269.22253	2.1
287.05499	100.0
287.12744	2.4
287.16458	5.4
287.20047	47.0
287.23596	6.3
288.05820	7.1
288.20236	1.9
296.75079	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	287.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.4
55.01873	7.8
55.05510	7.8
56.96554	0.4
57.03433	1.7
64.72128	0.3
67.01881	1.6
67.05505	9.1
68.99790	1.3
69.03416	1.6
69.07072	3.1
70.66828	0.7
70.67191	0.7
71.04991	9.5
75.04485	0.5
79.05494	4.8
81.03417	1.4
81.07062	8.6
83.04977	1.2
83.08615	3.3
85.02907	0.5
85.06570	1.6
87.04463	4.2
89.03928	0.6
91.05485	3.5
93.07044	5.3
95.04980	1.1
95.08609	4.3
97.06532	50.1
97.10161	4.5
98.06848	0.4
98.97543	0.4
105.07028	4.3
107.04945	0.5
107.08588	4.7
109.06514	0.6
109.10147	7.6
111.08091	1.4
113.05984	0.5
117.03423	0.9
117.07028	2.1
119.04915	0.7
119.08583	2.8
121.02878	1.1
121.06524	1.0
121.10133	2.7
123.00831	0.5
123.08117	0.5
123.11713	0.7
125.09631	3.0
129.01878	0.4
131.08560	2.6
132.77132	0.4
133.10114	3.0
135.04402	4.5
135.08058	1.3
135.11681	1.9
136.82652	0.3
137.02330	1.0
143.08612	0.4
145.10110	1.4
147.11719	2.9
149.09622	0.5
149.13266	2.2
153.01830	9.0
157.10135	0.9
159.11705	3.2
161.02316	1.4
161.13239	1.8
169.01207	0.3
171.02913	1.4
171.08003	0.4
171.11659	0.4
173.13257	1.0
175.14850	0.7
177.12730	2.7
179.03386	0.5
189.11185	0.5
189.16335	0.9
195.13814	19.6
198.10881	0.5
213.14819	8.0
241.04974	2.2
259.06046	0.5
269.04453	1.3
269.17496	5.7
269.22565	1.9
270.44620	0.3
279.13480	0.6
287.05496	100.0
287.18533	21.0
287.23450	5.9
288.05841	8.2
288.13950	1.3
288.19128	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1641
Annotation	4-Hydroxyestrone
Peak:m/z	Relative Intensity
55.05508	5.4
55.09510	1.9
56.01075	1.9
67.05495	8.3
69.07054	5.0
71.40883	2.1
71.60345	2.1
79.05486	4.1
81.07079	10.4
91.05478	6.1
93.07024	11.2
95.04953	5.3
95.08599	14.2
97.06532	7.3
105.07018	7.7
107.08573	8.1
109.10132	5.3
119.08543	6.8
121.06524	5.3
121.10137	8.0
123.08038	8.2
123.11713	2.2
129.57320	1.9
131.08545	4.6
132.56929	2.5
133.10129	3.8
135.08026	5.3
137.05881	2.1
137.09608	3.4
145.10138	6.4
147.11707	4.2
149.09604	5.9
151.07539	69.5
153.01819	7.8
155.08456	2.9
157.10139	4.8
161.09630	2.7
165.05464	3.7
173.09633	2.8
175.07516	5.6
176.71872	2.1
185.09592	3.0
188.08211	3.7
189.09085	13.1
191.07027	5.4
191.10643	9.7
193.08600	2.8
199.11197	4.6
203.10674	8.0
205.08575	5.2
211.11266	3.1
214.09796	4.9
218.09438	2.5
227.10635	2.8
228.11301	2.3
229.12196	19.4
231.10161	52.9
231.13673	3.9
241.12125	2.4
241.15981	3.5
243.13831	6.3
254.12953	3.5
259.16718	2.4
260.07523	2.4
269.15347	15.1
269.22653	4.0
287.05499	100.0
287.16415	64.1
287.19962	10.6
287.23630	7.1
287.31516	2.3
288.05850	8.7
288.16827	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	287.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	0.9
55.01871	1.5
55.05507	1.9
56.05032	1.0
57.83331	0.7
59.50865	0.6
65.03939	2.3
65.49516	0.9
66.03465	0.8
67.01900	0.9
67.05503	5.8
69.03427	0.7
69.07066	16.4
69.48479	3.4
69.48901	2.5
70.06596	2.8
71.04989	0.9
79.05491	3.0
81.03424	1.5
81.07056	3.9
82.06557	1.7
83.03728	1.7
83.04970	1.1
84.04497	3.3
84.08144	3.6
85.02927	1.1
85.06522	1.1
86.09714	2.1
91.05484	6.3
91.83160	0.7
93.03424	1.8
93.07053	3.2
94.06569	16.9
95.04969	5.0
95.08606	1.8
96.04475	0.8
97.02930	0.9
97.06543	1.5
98.21443	1.5
98.97559	1.1
99.08093	1.4
105.07030	2.8
107.08604	2.9
109.10184	0.8
110.06048	12.0
112.07608	89.5
114.64751	0.6
116.04967	1.2
116.98618	1.6
117.06985	0.8
118.06548	3.0
119.07321	3.7
119.08591	2.5
120.08128	4.9
121.06503	1.1
121.10132	2.0
122.06034	32.4
123.08046	0.7
124.07619	3.7
125.09743	0.8
131.08554	2.0
133.10135	1.7
134.06056	1.8
134.99687	1.4
135.04405	2.3
135.08037	1.1
136.07539	1.7
137.02330	1.1
140.07069	44.9
145.10080	1.2
146.06018	28.4
147.06906	3.7
147.07928	1.1
147.11729	1.2
148.07576	100.0
149.06027	0.9
149.07939	1.3
153.01846	3.7
158.99712	0.8
159.11685	1.2
161.02373	1.1
164.07068	7.3
167.04993	0.7
175.14722	1.3
177.00732	1.2
179.15869	0.7
183.09212	0.8
184.09825	0.8
186.09183	0.9
190.00410	0.7
195.08003	1.1
195.12695	0.7
197.10884	0.7
205.12241	0.8
216.12576	1.1
219.01758	0.8
223.13251	0.7
233.11725	0.9
241.09708	1.2
241.13300	1.6
242.11838	1.3
243.14929	1.1
243.17195	0.8
251.12773	1.6
257.12875	5.5
269.09695	0.9
269.12857	24.9
270.11243	2.1
287.05505	48.8
287.10294	14.6
287.13904	21.1
287.23654	0.8
288.05814	2.6
305.14978	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	287.1391
Annotation	Pilosine
Peak:m/z	Relative Intensity
55.01914	0.8
55.05544	1.6
58.32430	0.7
65.03954	0.7
67.05560	2.6
69.03458	1.1
69.07066	4.1
70.06596	5.9
70.82302	0.7
71.05045	1.3
71.60507	1.1
72.08186	1.9
79.05489	4.3
80.40250	0.6
81.03445	1.5
81.07068	4.1
83.05015	1.3
84.04523	0.9
84.08183	1.8
85.02956	1.5
85.06622	0.9
86.06122	1.7
86.09296	0.9
86.09702	4.5
88.28094	0.7
91.05479	5.4
93.05850	2.9
93.07107	3.2
94.06577	12.9
95.05035	2.3
95.08686	2.1
97.02930	1.6
97.06611	2.7
98.40403	0.8
104.05054	2.7
105.07102	2.1
107.04964	1.1
107.08585	5.6
108.04543	0.8
109.06514	1.2
110.06065	1.8
111.08138	1.0
112.07643	1.0
116.05031	1.5
117.05775	1.3
118.06544	73.1
119.05044	0.9
119.07336	16.5
119.08081	1.0
119.08643	0.9
120.08117	4.3
121.02919	1.0
121.06584	1.2
121.10229	1.4
122.06036	22.9
123.06858	1.4
123.08129	1.5
124.07645	2.4
125.05981	1.6
128.07269	0.8
128.08229	1.3
129.10286	1.3
133.10217	1.2
134.06023	1.3
135.04408	0.9
135.08095	0.8
136.03978	0.8
136.07634	1.7
137.06107	0.8
137.98888	0.7
140.07051	10.1
143.07069	4.1
143.08640	0.9
144.08205	0.9
145.10190	3.4
146.06010	26.2
147.06793	33.4
147.11719	1.3
148.07571	27.6
149.09483	0.9
150.75623	0.6
153.01854	3.6
153.13921	0.8
157.08894	0.8
159.11732	1.6
164.07083	4.7
169.10143	1.0
173.09641	1.3
174.08890	2.2
181.08870	1.8
182.09595	0.7
183.09068	0.8
185.07172	2.1
187.11166	1.9
196.11296	2.4
198.07901	1.8
198.12854	3.2
205.12309	2.3
206.09805	0.8
212.09518	1.7
213.10347	2.2
213.13908	3.4
214.12292	1.0
215.10588	1.0
223.12431	1.0
224.10725	3.7
225.10309	2.4
226.10793	5.2
227.11787	1.0
227.13954	1.7
233.11755	2.3
237.10182	1.2
239.11674	1.2
240.12590	2.8
241.09740	1.1
241.10727	1.0
241.13341	17.3
241.15652	1.1
242.05791	0.9
242.11792	3.2
243.11458	0.7
243.14911	4.5
251.12286	2.9
252.10265	2.5
254.10463	1.6
269.12854	100.0
270.05292	1.5
270.08636	1.2
270.10773	3.6
287.05475	26.3
287.10300	10.9
287.13910	20.5
287.17078	7.3
287.23779	1.8
288.05933	2.0
305.14944	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	287.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80006	0.4
54.91726	0.4
55.05509	1.2
56.96552	2.2
57.19176	0.4
59.66956	0.5
60.02661	0.4
61.02911	0.8
63.00014	0.4
69.03416	1.6
69.07082	1.1
70.06587	3.4
70.28606	0.5
71.04993	0.8
71.06908	0.7
71.58117	0.5
72.08148	1.9
77.76157	0.4
79.05500	0.6
81.03405	1.0
81.07062	0.8
81.67310	0.5
83.04944	0.5
84.04484	0.6
84.08110	1.4
85.02898	3.3
85.06522	1.4
86.09692	1.4
88.81677	0.4
91.05516	1.0
93.07032	1.5
95.04960	0.6
95.08620	1.2
97.02869	1.7
97.06494	0.9
98.97549	1.3
105.07034	1.1
105.51357	0.4
106.06563	1.3
107.04903	0.5
107.06859	1.0
107.08579	1.5
109.10142	0.7
112.07593	1.9
113.05962	0.5
116.98592	1.3
119.01868	0.7
119.08553	1.3
121.06469	1.5
121.10118	1.3
124.07571	2.0
125.07101	1.6
125.07899	1.1
127.03942	0.7
133.10139	0.8
134.99681	0.9
140.07074	1.1
141.07391	0.5
145.10065	0.6
147.11630	0.7
153.01863	0.7
157.10124	0.6
159.11716	1.0
171.11659	0.8
173.13220	0.9
174.04428	0.8
186.04414	0.9
203.03857	0.5
205.57225	0.5
221.05060	2.6
228.05392	0.6
237.02759	0.7
246.06468	0.6
269.08649	0.6
269.18665	0.5
269.22644	1.1
287.05597	6.1
287.11005	100.0
287.19968	1.8
287.23306	3.1
288.11411	3.7
288.20300	0.6
305.10898	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.139
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
50.13227	0.6
51.21687	0.6
55.05510	1.1
56.96555	1.0
57.07077	0.9
66.04697	1.5
67.05494	1.9
67.78793	0.7
69.07067	3.5
70.06587	3.7
70.57551	1.2
70.57936	1.4
71.57335	0.6
72.08150	0.8
78.04707	0.8
79.05484	1.8
80.05028	1.8
81.07062	1.3
84.08125	1.5
85.02915	0.8
85.06524	0.8
86.06069	1.0
86.09691	2.4
91.05481	5.8
92.74277	0.7
93.05764	1.9
93.07045	1.9
94.06564	14.5
95.04946	1.3
95.08613	1.1
97.02917	1.1
97.06518	1.3
98.97562	1.7
103.79391	0.7
104.04995	3.5
105.07001	1.1
107.08632	0.8
110.06074	0.8
112.08687	1.2
116.04999	1.9
116.98660	0.9
117.05790	0.8
117.06966	0.9
118.06540	83.4
119.07343	18.0
119.08582	0.9
120.04440	0.7
120.08112	5.4
122.06035	22.3
124.07595	2.3
128.53568	0.8
131.07280	1.0
134.06009	0.8
136.07532	0.9
140.07057	7.0
142.08678	0.9
146.06007	29.1
147.06795	32.0
148.07579	23.0
153.01843	0.8
157.06512	0.8
157.08803	1.0
159.07988	0.9
160.07542	1.1
164.07080	6.6
168.08015	0.7
170.09593	0.9
172.07385	0.9
172.11234	1.0
174.08810	1.8
177.00679	1.2
179.98022	0.7
180.08020	1.2
181.08823	1.5
183.10532	1.4
189.11514	0.8
190.92606	0.6
196.11230	2.7
198.09474	0.9
198.11264	1.1
198.12801	3.1
200.10814	0.8
213.13815	4.6
213.85387	0.8
214.12289	2.1
224.10716	2.7
225.10257	3.1
226.10715	4.1
227.14000	0.9
228.10139	0.7
235.16664	0.7
236.09384	1.0
237.02859	1.4
239.11838	1.1
240.12599	1.9
241.13371	14.3
242.11775	7.7
243.14958	10.4
251.11919	3.3
252.10242	2.3
254.10515	2.3
259.14291	0.9
261.12534	0.9
269.12848	100.0
270.10983	9.0
270.13708	1.1
287.05420	9.1
287.10303	5.1
287.13879	23.9
287.17099	6.9
287.23911	1.0
305.09113	1.0
305.14911	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0551
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.72595	0.2
55.05506	0.3
56.96561	0.3
67.01870	1.1
67.05492	0.5
67.28859	0.2
68.65548	0.2
68.99784	1.1
69.03408	0.4
69.07070	0.5
70.73304	0.7
71.04983	0.4
79.05473	0.5
81.03396	0.3
81.07063	1.2
85.02899	1.1
86.38292	0.3
89.03911	0.4
91.05495	0.3
92.09878	0.2
93.07030	1.0
95.04926	0.4
95.08611	0.6
97.02866	0.4
105.07036	1.1
107.04978	0.3
107.08584	0.8
108.71514	0.2
109.10149	0.7
117.03368	0.4
119.08582	1.2
121.10143	0.6
127.03951	0.4
129.01866	0.2
130.17792	0.3
131.08562	0.6
133.10101	0.5
135.04430	3.4
135.11717	0.3
137.02341	1.1
137.09648	0.6
145.10130	0.8
147.11668	0.8
153.01839	9.3
154.88124	0.2
155.80188	0.2
157.06471	0.3
159.11697	1.0
161.02368	0.8
161.13255	0.4
171.02861	0.9
173.13338	0.3
179.03461	0.4
181.20154	0.2
185.05907	0.3
185.13184	0.3
191.07162	0.3
199.14734	0.3
201.16400	0.7
213.05518	0.3
213.16339	0.4
215.11229	0.6
220.05125	0.2
231.08937	0.3
241.04955	0.9
269.04480	0.7
269.22696	0.3
273.06354	0.2
287.05511	100.0
287.23700	2.3
288.05856	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0536
Annotation	Luteolin
Peak:m/z	Relative Intensity
53.03952	0.1
54.15942	0.0
55.01867	0.2
55.05507	0.2
57.03431	0.1
57.07071	0.1
67.01867	1.4
67.05508	0.5
67.74502	0.1
68.99434	0.1
68.99790	1.0
69.03426	0.1
69.07069	0.3
70.78048	0.2
70.78400	0.1
71.04999	0.3
73.53516	0.1
74.81276	0.0
79.05486	0.6
81.03421	0.1
81.07056	0.9
82.20090	0.0
83.04973	0.1
83.08617	0.2
84.08893	0.1
85.02930	0.1
89.03909	0.5
91.01835	0.1
91.05479	0.3
93.07051	0.5
95.04960	0.2
95.08609	0.6
97.02911	0.1
97.06538	0.7
97.10147	0.1
105.03398	0.1
105.07027	0.3
106.38994	0.1
107.04964	0.4
107.08594	0.3
109.02899	0.1
109.10165	0.6
111.00800	0.2
111.04443	0.2
111.08069	0.1
115.05432	0.1
116.98582	0.1
117.03405	0.5
117.07003	0.1
119.08585	0.4
121.10146	0.3
123.11684	0.1
125.02328	0.1
127.03909	0.1
129.01826	0.3
129.07030	0.1
131.08562	0.2
133.10143	0.2
135.04419	4.0
135.08014	0.1
135.11708	0.2
137.02341	1.1
137.09608	0.1
139.05418	0.1
141.09099	0.0
143.08611	0.1
145.06453	0.1
145.10126	0.2
147.04349	0.1
147.11676	0.2
149.02315	0.1
149.09624	0.1
149.13261	0.1
151.11205	0.1
152.07086	0.1
153.01830	9.8
153.09268	0.1
154.02182	0.1
157.06505	0.2
157.10101	0.1
159.11713	0.2
161.02336	1.1
161.03549	0.1
161.13243	0.1
162.05505	0.2
171.02910	1.3
171.04401	0.2
173.13214	0.1
177.12646	0.1
179.03426	0.5
185.05977	0.2
187.14732	0.1
189.05402	0.1
189.16370	0.1
190.08522	0.1
191.18010	0.1
195.04337	0.1
195.13806	0.3
199.03914	0.1
199.14865	0.1
201.16350	0.1
203.03416	0.2
203.07115	0.1
213.05450	0.3
215.18091	0.1
217.04884	0.1
219.06535	0.1
231.06511	0.1
233.19121	0.1
241.04939	1.2
245.04510	0.2
251.20044	0.1
258.05325	0.1
259.05823	0.3
263.05545	0.1
269.04425	0.8
269.12772	0.1
269.17416	0.1
269.22849	0.1
270.05081	0.1
287.05493	100.0
287.23398	0.6
288.05823	2.3
288.09100	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	287.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.1
57.03416	0.1
57.76214	0.1
67.01524	0.1
67.01862	1.2
67.05513	0.1
68.99788	0.9
69.03408	0.1
69.07064	0.1
69.93215	0.3
70.96429	0.1
79.05469	0.2
81.03440	0.1
81.07031	0.2
83.04984	0.1
85.02908	0.1
86.09676	0.1
87.16147	0.0
89.03420	0.1
89.03909	0.5
91.05479	0.1
93.07033	0.2
95.04964	0.1
95.08588	0.2
97.02860	0.1
97.06510	0.1
98.20744	0.1
98.97580	0.1
105.03300	0.1
105.07020	0.1
107.04954	0.3
107.08608	0.1
109.02907	0.1
109.06532	0.1
109.10134	0.1
111.00798	0.1
111.04391	0.1
111.08060	0.1
114.53348	0.0
115.05461	0.1
117.03369	0.5
117.06982	0.1
119.08629	0.1
121.06485	0.1
121.10130	0.1
125.02391	0.1
127.03880	0.1
128.06235	0.1
129.01846	0.3
129.07019	0.1
135.04410	3.8
135.11661	0.1
136.07579	0.3
137.02330	1.0
139.05447	0.1
145.10094	0.1
147.04480	0.1
147.11705	0.1
153.01819	9.0
154.02164	0.1
157.06444	0.2
159.11681	0.1
161.02315	1.2
161.05910	0.1
161.09639	0.1
163.11096	0.1
164.07043	0.3
167.04912	0.1
170.99557	0.1
171.02892	1.4
171.04395	0.1
175.03893	0.1
179.03419	0.5
185.05887	0.3
187.11061	0.1
189.05440	0.1
199.03868	0.1
201.05475	0.1
203.03462	0.3
205.12241	0.1
213.05510	0.3
219.06485	0.1
223.13258	0.2
231.06499	0.1
241.04907	1.1
241.14462	0.1
245.04361	0.2
259.05948	0.2
263.05511	0.1
269.04456	0.7
269.13248	0.1
270.04932	0.1
286.04691	0.1
287.05478	100.0
288.05801	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	287.0542
Annotation	Luteolin
Peak:m/z	Relative Intensity
51.65968	0.0
53.07938	0.0
59.12096	0.0
67.01865	1.3
68.99436	0.1
68.99793	1.1
69.03429	0.1
70.73482	0.2
79.05482	0.3
79.80618	0.1
81.03422	0.1
81.07053	0.1
85.02917	0.1
89.03917	0.6
95.04959	0.1
95.08617	0.1
96.47039	0.0
97.02912	0.1
105.07042	0.1
107.04967	0.3
107.08572	0.1
109.02882	0.1
109.06527	0.1
109.10151	0.1
111.00847	0.1
111.04445	0.1
115.05457	0.1
117.03371	0.7
125.02392	0.1
127.03914	0.1
128.06296	0.1
129.01833	0.3
129.07019	0.1
135.04417	4.4
137.02344	1.0
137.03307	0.0
139.05449	0.1
147.04483	0.1
148.07680	0.0
153.01830	9.9
154.02200	0.1
157.06505	0.2
161.02335	1.3
162.02539	0.1
167.04939	0.1
171.02907	1.2
171.04391	0.1
179.03421	0.5
185.05930	0.3
189.05484	0.1
195.04503	0.1
198.21130	0.1
199.03879	0.1
201.05553	0.1
203.03394	0.2
203.07108	0.1
213.05443	0.5
217.04890	0.1
218.05783	0.1
219.06448	0.2
227.03534	0.1
231.06558	0.2
241.04941	1.3
245.04424	0.2
259.05997	0.2
263.05539	0.1
269.04401	0.9
269.12759	0.1
286.04761	0.1
287.05490	100.0
288.05826	3.2
288.09204	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	285.2213
Annotation	11Z-3,4-didehydro-retinol
Peak:m/z	Relative Intensity
51.97875	2.7
53.79472	2.8
55.01863	12.9
55.05516	14.8
57.03450	15.9
57.07054	3.8
67.05505	20.6
69.03421	4.1
69.07068	11.8
69.93027	20.0
71.04995	5.5
71.08641	3.9
79.05499	17.2
81.03419	28.9
81.07056	34.0
83.04989	11.7
83.08614	15.1
85.02906	23.0
85.06593	3.8
91.05483	26.9
91.72726	3.0
93.07051	21.5
95.04955	17.1
95.08605	23.4
97.02826	3.0
97.06518	10.8
98.20868	4.7
98.56519	3.0
105.07012	26.9
106.86008	3.4
107.04975	5.8
107.08623	15.7
109.06532	8.6
109.10154	14.4
111.08083	8.0
113.63224	2.8
119.08596	24.1
119.51101	3.0
121.06535	7.3
121.10151	16.8
123.08098	7.1
123.11712	13.4
129.07028	7.7
131.08565	12.4
133.06496	3.8
133.10110	18.2
135.08107	4.0
135.11749	7.0
139.02153	3.4
143.08511	3.9
145.10126	14.5
147.08063	13.2
147.11700	17.7
149.09668	6.9
149.13263	5.7
157.10159	15.0
159.11754	15.1
160.22087	3.9
161.09631	11.7
161.13246	8.6
163.11217	4.2
165.12706	3.6
169.10199	4.1
171.11676	7.1
173.13220	8.5
175.11179	22.0
175.14799	5.8
177.16420	6.4
183.11707	5.4
185.13292	5.6
187.14839	6.9
189.16316	6.5
193.12238	37.6
197.13258	7.2
201.12999	3.8
201.16443	3.6
211.13237	26.5
211.15027	6.7
215.14345	7.0
215.18076	3.8
227.18069	5.0
229.15877	6.0
229.19565	7.2
230.20435	5.4
257.22653	5.4
267.21017	26.9
285.07690	6.1
285.17044	35.6
285.22043	100.0
285.29865	4.3
285.33234	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	285.2212
Annotation	9-cis retro-gamma-retinal
Peak:m/z	Relative Intensity
54.38677	15.7
54.46166	13.0
55.05502	31.9
59.07573	14.7
61.34081	12.7
67.05495	32.8
69.07058	51.1
70.19903	69.8
70.91939	14.2
71.08559	13.8
79.05473	23.1
81.07047	31.5
83.08619	15.4
91.05488	21.3
93.07033	46.1
95.08601	36.0
105.07023	61.0
107.08586	29.0
109.06542	19.6
109.10145	37.7
111.08009	14.1
119.08582	61.3
121.06464	16.8
121.10087	24.3
124.87822	14.5
131.08568	19.6
133.10149	39.7
135.11714	21.4
137.13335	15.6
145.10092	24.8
147.11713	25.5
159.11655	19.1
161.09656	100.0
175.14799	58.9
193.15892	16.4
227.18257	14.0
285.07516	23.7
285.22159	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.5
55.01862	3.2
55.05509	36.0
56.96558	9.7
57.03184	4.1
57.03436	41.4
57.07070	4.9
62.34988	2.6
67.05505	34.5
69.03416	8.2
69.07065	23.7
70.06586	4.6
70.34410	12.7
71.04987	13.6
71.88487	3.1
79.05488	38.9
79.30305	2.6
81.03419	91.7
81.07055	54.2
83.04977	16.0
83.08622	33.5
85.02905	76.5
85.03428	4.0
85.06532	6.4
86.06049	5.5
88.07645	7.0
90.93124	2.5
91.05479	41.6
91.06018	4.9
93.07042	32.6
95.04972	39.4
95.08610	24.6
95.78072	3.2
97.02877	4.7
97.06513	14.9
97.10170	8.0
98.97567	4.3
102.78203	3.2
105.07026	39.1
107.04953	8.3
107.08604	16.6
109.06536	9.5
109.10113	6.3
111.04433	4.3
111.08066	17.9
112.02858	2.7
113.06032	5.7
115.05437	3.6
117.07063	3.0
119.08590	35.7
120.26979	3.2
121.06501	3.5
121.10165	26.3
123.08030	6.8
123.11694	5.6
129.06990	15.2
131.08600	16.1
131.68954	3.0
133.10135	19.3
135.11661	3.1
142.07689	3.3
142.84769	2.8
143.08638	4.2
143.50337	3.3
145.10077	6.7
147.08020	5.1
147.11668	27.1
149.09613	10.3
157.10120	28.5
159.08098	4.2
159.11708	6.1
161.13309	3.4
165.12744	6.3
171.11761	5.6
173.13255	4.4
175.11188	32.6
183.11765	4.2
185.10046	2.8
193.12241	100.0
197.13235	4.6
199.07521	2.9
211.13274	89.4
211.15254	5.2
220.21230	3.4
253.08569	8.2
258.05298	4.7
267.15723	3.4
267.21585	3.7
267.24133	15.1
285.11908	4.2
285.16803	85.6
285.22244	13.1
285.25372	39.3
285.28748	4.1
285.29727	3.5
286.04663	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21278	1.3
52.19482	1.0
53.03944	3.2
54.25973	1.2
54.60223	1.1
55.01861	3.0
55.05510	12.6
56.96558	1.8
57.03445	14.6
65.03927	1.9
67.05505	21.2
68.39003	1.0
69.03410	4.3
69.07072	11.8
70.86066	4.2
71.04999	6.6
79.05494	18.9
81.03421	100.0
81.06595	1.7
81.07063	30.4
83.04986	9.3
83.08620	23.2
84.04513	1.6
85.02907	21.5
85.06546	3.4
91.05482	24.9
93.07041	24.2
95.04971	33.1
95.08050	1.5
95.08611	20.5
97.02893	2.7
97.06513	6.2
97.10159	2.1
98.97570	1.5
99.08085	1.5
105.07034	27.4
107.04951	6.8
107.08598	10.7
109.06541	6.6
109.10143	9.2
111.04429	2.9
111.08072	17.4
113.05979	2.5
113.09661	1.4
116.98620	1.5
117.07013	6.8
119.04896	1.5
119.07791	1.8
119.08587	26.0
119.58556	1.2
121.06516	2.8
121.10145	13.9
123.08059	3.8
123.11721	3.3
125.09627	1.3
127.07496	1.4
129.07030	10.4
131.08574	15.2
133.06483	2.6
133.10135	13.4
135.11668	4.5
137.05911	1.9
137.09602	2.2
139.00281	1.4
142.07758	6.1
143.08527	3.8
145.10118	14.2
147.08060	5.1
147.11679	17.6
149.09612	7.7
149.13292	1.3
151.07578	1.7
151.11195	1.8
155.08516	2.7
157.06482	1.2
157.08902	2.0
157.10138	20.0
157.84441	1.3
158.10948	1.2
159.11693	10.7
161.05966	2.5
161.09605	2.3
161.13220	3.3
163.11119	3.5
165.06998	3.4
165.12779	3.3
169.10115	5.0
171.11627	4.5
173.13258	5.4
175.11197	19.4
175.14838	3.0
177.12814	1.4
183.11754	2.8
185.09656	1.2
185.13237	3.9
187.14816	3.7
189.16281	1.6
193.06505	1.9
193.12250	69.6
197.13185	3.9
199.14859	4.1
210.06772	4.0
211.13235	24.1
211.14940	3.5
213.16394	2.3
215.14435	1.4
221.05956	3.5
225.09119	9.1
225.16431	2.2
227.17885	1.4
229.14169	2.3
241.12209	1.3
253.08580	12.3
257.04456	2.8
258.05124	1.7
267.15903	16.4
267.21085	8.7
268.11011	1.7
285.04068	1.3
285.08203	2.0
285.11423	8.1
285.16995	24.4
285.22095	42.1
286.04501	1.3
302.05026	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.0
55.01863	4.8
55.05268	1.4
55.05512	13.7
56.96568	13.5
57.03443	21.1
57.07072	2.0
57.98404	1.2
60.15195	1.2
61.02931	1.9
65.03925	1.9
67.05508	24.6
69.03434	8.5
69.07078	9.6
69.38918	9.5
69.39326	2.5
70.06580	1.8
71.04985	8.6
73.02919	1.5
79.05067	1.4
79.05495	22.7
81.03423	66.7
81.07063	34.7
83.04986	9.3
83.08624	23.1
84.96023	1.6
85.02910	38.3
85.06535	4.3
86.06059	1.5
87.04468	1.6
87.53144	1.2
91.04970	2.1
91.05486	27.2
93.07045	20.4
95.04973	30.3
95.08609	17.3
97.02895	6.4
97.06561	5.7
97.10162	3.1
98.97562	6.0
98.98504	1.4
99.04430	2.0
99.08080	1.8
100.11233	1.9
105.06393	2.0
105.07037	26.9
107.04945	7.2
107.08602	12.2
109.02900	1.7
109.06517	7.3
109.10166	8.0
111.04420	2.6
111.08105	12.6
113.05965	3.4
115.05465	1.9
116.98610	4.5
117.07054	3.4
119.04927	2.0
119.07794	1.7
119.08588	23.4
121.06475	4.4
121.10143	16.1
123.04400	1.4
123.08057	3.9
123.11703	4.1
125.09626	2.9
126.03133	1.3
127.03922	2.5
128.06163	1.2
129.07019	9.9
130.07864	1.4
131.08578	12.7
133.06477	3.3
133.10150	12.0
134.99651	3.4
135.08041	2.3
135.11671	3.3
137.05956	3.4
137.09586	3.5
142.07753	3.9
143.08525	5.0
145.04959	1.9
145.10117	7.6
146.99684	1.6
147.03333	2.6
147.04321	1.4
147.08040	4.6
147.11674	18.5
149.09639	6.8
149.13222	1.3
151.11226	1.5
153.00705	1.3
153.01807	6.2
157.10121	15.1
159.11684	6.2
161.05974	2.8
161.09592	2.5
161.13235	1.9
163.11205	2.5
165.04330	1.2
165.07004	1.8
165.12724	3.7
169.10107	1.9
171.11659	2.5
173.13197	3.6
175.11203	16.3
177.00763	3.2
182.15317	1.5
183.11604	2.3
183.89177	1.2
185.13272	2.6
187.11217	1.9
187.14793	1.9
189.16365	1.8
193.06445	2.2
193.12263	57.7
196.12410	1.7
197.13348	1.8
199.14775	3.9
203.03430	2.5
203.10771	1.9
211.13283	41.1
211.15250	2.9
213.16299	1.2
219.01640	1.4
225.05872	1.9
225.09117	3.2
229.04990	13.7
229.14209	3.0
234.06184	1.5
237.02766	4.7
243.11247	1.8
249.18561	2.0
253.08562	4.9
257.04526	15.0
258.05261	74.6
267.15915	11.8
267.21133	2.2
268.10812	1.5
285.04013	3.8
285.07587	6.1
285.11639	4.7
285.16959	55.4
285.21896	16.5
285.29562	2.1
286.04733	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	285.1696
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03948	4.1
54.26323	1.7
55.01868	3.2
55.05513	13.1
56.03660	1.7
57.03433	19.2
57.07060	2.2
66.48625	1.7
67.05495	24.4
69.03420	6.6
69.07054	7.2
69.44921	17.1
70.06583	1.8
71.04993	8.1
74.69765	1.5
79.05489	24.6
81.03417	100.0
81.07057	30.4
83.04971	9.9
83.08615	26.1
85.02901	29.6
85.06541	4.0
91.05476	29.7
93.07026	20.0
95.04967	35.5
95.08611	13.5
97.02881	4.6
97.06536	6.3
97.10126	2.4
105.07027	26.0
107.04942	9.5
107.08575	9.8
109.06500	5.4
109.10134	6.7
111.08075	21.3
113.05988	3.6
117.07001	2.7
119.08584	19.7
121.06451	3.7
121.10120	10.7
123.08038	5.0
123.11685	3.7
125.05990	2.2
129.06998	8.0
131.08556	15.8
133.06474	6.3
133.10094	12.5
135.11690	3.1
137.05991	2.6
137.09570	2.3
142.07765	4.1
143.08562	3.8
145.10114	6.0
147.08054	4.3
147.11694	15.0
149.09607	8.5
157.10133	19.9
159.07915	1.6
159.11690	5.4
163.11118	3.0
165.12775	3.6
167.08421	1.9
175.11192	22.1
181.12297	2.0
185.09445	2.3
193.12238	81.0
194.12590	1.9
203.03372	5.5
203.10744	3.4
211.13292	30.1
213.08870	2.1
221.11667	2.2
229.05064	4.2
239.15485	2.2
253.08446	3.1
257.04407	23.0
258.05154	6.7
267.15845	18.4
267.21024	2.3
285.03888	2.4
285.11670	5.4
285.16907	48.6
285.21753	11.0
286.04602	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.5
53.28434	3.7
53.60667	3.7
55.05510	23.8
56.96579	5.2
57.03444	41.0
57.07067	6.8
60.90992	4.0
63.13743	3.6
67.05497	36.9
69.07053	15.5
70.11050	16.6
70.11471	8.3
71.04985	11.6
79.05494	36.2
81.03426	81.7
81.07056	57.1
83.04971	20.0
83.08630	41.4
85.02417	7.7
85.02900	74.9
85.06554	9.1
91.05487	46.5
93.07052	22.5
93.53793	4.7
94.12743	4.0
95.04987	33.2
95.08604	20.0
97.06515	12.1
97.10191	7.7
98.20728	5.0
105.07030	36.5
105.40990	4.3
107.04971	7.3
107.08601	12.2
109.06520	11.2
109.10168	8.4
111.04366	4.3
111.08075	25.9
113.06016	6.5
119.08584	37.5
121.10154	27.0
123.08084	7.5
129.07004	17.1
131.08575	19.1
133.06442	6.3
133.10107	15.6
147.11717	29.3
149.09612	9.2
157.10164	24.6
165.12799	6.4
175.11221	22.2
185.13199	4.9
193.12250	94.2
211.13277	82.6
223.59584	4.7
278.69437	5.2
285.16928	100.0
285.22180	13.1
285.25696	6.5
285.29752	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	285.1697
Annotation	Hysterone D
Peak:m/z	Relative Intensity
52.93571	1.0
53.03938	3.0
54.23960	1.0
55.01873	2.4
55.05515	11.8
56.96564	2.2
57.03442	9.4
57.07082	1.6
61.75244	0.9
67.04697	0.9
67.05506	18.9
69.03426	4.7
69.07059	7.0
70.86166	1.1
70.86496	2.7
71.04987	5.1
76.63941	1.1
79.05493	16.7
80.50864	1.0
81.03419	100.0
81.07060	26.2
83.04984	9.1
83.08617	22.2
85.02903	10.3
85.06540	3.1
91.05477	20.6
91.06013	1.7
93.07047	15.1
95.04971	25.6
95.08591	10.6
97.02897	2.6
97.06528	3.6
97.10186	1.6
99.08110	1.4
103.05450	1.4
105.06318	1.4
105.07021	17.7
107.04937	5.9
107.08604	9.5
109.06521	5.4
109.10155	7.2
111.04436	2.1
111.08079	11.9
113.06036	1.2
115.05412	2.0
117.07063	1.9
119.04980	1.2
119.08575	17.2
120.08964	1.0
121.06532	2.4
121.10150	11.2
123.08045	2.9
123.11710	3.0
125.09641	2.0
127.07525	2.4
127.11165	1.2
129.07019	7.8
131.08574	10.3
133.06512	4.1
133.10127	7.6
135.11710	1.7
137.05988	1.4
137.09598	1.9
142.07787	3.4
143.08540	2.8
145.10126	6.5
147.08064	3.8
147.11673	11.3
149.09583	5.9
153.12781	1.2
155.08586	1.2
157.10126	12.2
159.11705	3.8
161.05936	1.4
163.11212	1.9
165.07033	1.9
165.12802	4.9
171.11754	2.8
173.13269	1.4
175.11169	14.8
177.00945	1.3
183.11638	1.6
185.13239	1.1
187.14783	1.2
193.12245	66.5
194.12616	1.2
197.13229	1.9
199.14867	3.7
201.16350	1.3
203.17914	1.8
207.07838	1.1
211.13251	12.1
213.16386	2.2
221.11691	1.1
225.09094	3.1
225.16353	1.0
229.14417	1.3
239.20081	1.3
253.08670	3.4
257.04361	1.9
267.15878	18.3
267.21033	1.6
285.08240	1.7
285.11334	6.2
285.16858	16.7
285.21951	10.9
285.25089	1.5
285.26108	1.0
286.04572	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	285.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.8
55.01865	5.3
55.05512	32.3
56.96572	11.7
57.03193	2.5
57.03439	38.3
57.07064	3.8
67.05184	2.9
67.05508	49.5
69.03429	17.0
69.07082	16.4
69.85033	13.3
71.05000	14.2
71.08617	2.5
79.05494	46.2
79.05948	2.7
81.03421	100.0
81.07063	81.2
83.04984	28.0
83.08624	34.7
84.04498	3.0
85.02429	3.8
85.02910	61.3
85.06548	21.9
86.09716	3.6
91.04966	3.4
91.05484	47.4
93.07056	46.5
95.04977	47.8
95.08614	32.7
97.02878	5.6
97.06519	9.9
97.10164	2.9
98.20777	2.2
98.97579	9.0
99.04458	2.8
99.08080	2.9
101.06016	3.0
103.05381	2.5
105.07039	53.4
107.04924	10.3
107.08600	30.5
109.06525	16.8
109.10162	18.0
111.04418	6.3
111.08088	27.5
112.08458	2.5
113.05988	10.1
115.05418	3.3
116.98596	9.8
117.07008	8.9
119.04943	3.2
119.07816	2.5
119.08591	42.3
121.06497	8.8
121.10146	27.1
123.08075	6.8
123.11693	6.7
125.05998	2.8
125.09627	3.9
127.07522	8.8
128.98572	2.9
129.05455	2.7
129.07036	18.5
131.08582	25.0
133.06462	7.7
133.10124	26.4
134.99635	7.3
135.08055	4.3
135.11714	11.1
137.09645	6.3
142.07788	6.3
143.08492	7.4
145.06485	2.9
145.10129	18.2
146.06042	3.1
146.99643	6.0
147.08022	8.0
147.11684	32.2
149.09596	8.3
149.13271	3.2
151.07527	3.9
153.01695	2.9
155.08539	3.1
157.10135	30.8
158.99625	2.5
159.08052	3.4
159.11700	17.6
161.01224	4.4
161.05988	3.3
161.09621	7.3
161.13229	5.2
162.05363	3.2
163.11151	5.0
163.14827	3.6
165.06993	4.9
165.12724	7.0
169.10098	8.1
171.11649	7.5
173.13251	9.9
175.11211	31.7
177.12701	2.9
179.10683	5.1
183.11687	4.4
185.09589	5.2
185.13242	5.5
187.11086	5.4
187.14796	5.7
188.10701	5.6
189.16377	4.6
193.06500	4.2
193.12250	90.9
197.05911	2.6
199.14796	7.7
203.03304	4.5
203.10611	8.1
203.17847	4.1
205.12143	4.7
211.13277	57.0
211.14966	4.3
215.11815	6.0
219.01706	2.9
221.05782	2.4
221.11687	10.8
224.60559	2.4
225.09059	6.3
225.11115	3.6
225.16425	5.8
227.17886	2.4
229.04907	7.3
229.15970	2.7
231.10168	6.0
237.02734	5.3
241.12236	5.6
243.11343	23.7
243.17450	3.4
249.11157	4.7
253.08563	9.7
257.04547	17.6
258.05212	9.9
267.12244	5.4
267.15836	11.8
267.21268	13.8
268.10751	2.5
285.04239	3.8
285.08148	3.5
285.12311	28.1
285.16953	81.4
285.22006	54.6
286.04620	16.5
287.05527	43.4
288.05997	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	5.2
55.01860	2.8
55.05507	12.0
57.03438	17.3
61.66885	1.9
66.67734	2.2
67.05514	18.5
69.03423	3.5
69.07063	4.6
69.51634	19.9
71.04985	6.2
79.05495	23.6
81.03421	100.0
81.07066	21.8
83.04988	10.9
83.08625	25.6
83.09345	2.0
85.02911	27.6
91.05491	25.6
93.07052	19.7
95.04974	30.1
95.08607	9.5
97.02875	2.6
97.06552	3.6
98.20761	5.0
105.07037	16.2
107.04955	7.2
107.08601	6.3
109.06500	3.3
109.10144	3.5
111.04474	2.5
111.08079	9.9
113.06021	2.3
113.25050	2.1
117.07008	2.3
118.45826	2.2
119.08598	20.0
121.06480	3.4
121.10138	11.2
123.08060	2.6
123.11694	2.6
129.06992	9.2
131.08598	11.0
133.06438	2.2
133.10133	8.0
145.10120	2.8
147.11685	14.6
149.09607	5.1
157.10139	13.6
165.12831	2.9
175.11189	17.3
179.67291	2.3
187.40594	2.0
193.06491	2.3
193.12251	77.2
202.66780	2.4
203.03410	3.8
211.13297	30.5
215.33134	2.0
225.09213	2.8
229.05034	3.1
253.08717	4.0
257.04507	10.8
261.39420	2.3
267.15900	17.4
285.04041	3.3
285.11798	5.1
285.16922	40.6
286.04684	3.9
293.85922	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Hysterone D
Peak:m/z	Relative Intensity
53.03948	5.1
55.01881	2.9
55.05509	24.3
57.03436	39.4
59.81990	2.4
66.77826	3.0
67.05499	31.4
67.18705	3.0
69.03442	7.5
69.07074	11.4
70.92474	5.3
70.92817	3.2
71.05016	7.4
72.25120	2.7
79.05502	34.0
81.03416	93.5
81.07053	38.2
83.04977	19.2
83.08623	38.9
85.02900	53.7
85.06574	4.6
87.61079	3.1
91.05483	41.6
93.07047	22.5
95.04970	40.4
95.08607	19.5
97.02880	4.4
97.06521	5.8
97.10192	3.6
100.25935	3.3
105.07024	31.5
107.04932	6.2
107.08607	11.9
109.06538	6.5
111.04504	4.4
111.08060	16.9
119.08568	29.5
121.09342	3.1
121.10111	15.6
123.08099	5.3
123.11656	3.4
128.93066	2.9
129.07016	14.4
131.08569	14.3
133.06413	4.0
133.10135	17.2
142.07832	4.1
145.10071	4.0
147.08096	3.5
147.11699	26.2
149.09647	11.8
157.10156	19.9
175.11162	23.4
193.12236	100.0
193.49905	3.3
211.13255	63.5
257.04523	8.5
267.16046	12.1
268.11093	5.1
285.03818	3.8
285.12186	4.4
285.16959	92.0
285.22040	4.8
286.05020	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	285.1695
Annotation	Dihydroartemisinin
Peak:m/z	Relative Intensity
53.03934	2.9
55.01869	2.6
55.05260	1.8
55.05513	21.6
56.96561	3.1
57.03440	33.3
57.07073	2.9
59.04985	2.4
65.03903	1.5
67.05508	39.7
68.64085	1.2
69.03418	3.7
69.07070	21.2
69.42282	11.7
71.04995	9.5
73.79492	1.1
79.05064	2.0
79.05495	27.9
81.03423	34.3
81.03909	1.6
81.07059	100.0
82.07378	3.0
83.04984	14.5
83.08156	1.2
83.08623	21.4
85.02441	2.2
85.02908	25.8
85.06552	6.8
91.05478	37.5
93.07052	22.7
95.04970	16.4
95.08604	26.3
97.02892	1.4
97.06538	13.6
97.10154	3.4
98.97576	2.9
99.08092	6.3
101.06009	1.6
105.07032	42.9
107.04945	4.4
107.08601	20.7
109.06517	9.6
109.10134	7.3
111.08073	8.5
113.05976	3.8
115.05514	1.6
117.07018	2.9
119.08586	36.6
121.06479	2.3
121.10152	23.9
123.08051	4.8
123.11708	28.9
125.09538	1.3
127.07528	3.5
129.07024	8.0
131.08589	8.3
133.06389	1.5
133.10104	9.0
135.11737	2.1
137.09602	1.5
137.13240	3.6
141.09137	2.2
141.51001	1.2
142.07762	2.8
143.08568	1.4
145.10078	3.3
147.08089	2.9
147.11694	77.4
148.87479	1.2
149.09579	4.1
157.10112	12.3
159.07988	1.5
159.11685	2.4
161.13318	1.4
165.12761	42.4
167.07088	1.9
169.10187	1.3
173.13170	1.4
175.11177	12.0
177.12743	1.3
183.11832	1.4
183.13768	6.2
185.13217	2.0
187.07581	1.5
193.12256	35.5
197.13353	2.2
211.13274	26.6
229.14217	7.6
243.06477	1.4
253.08539	3.9
257.04367	1.9
267.15930	5.7
285.16931	89.8
285.22125	4.6
285.29517	1.3
286.17267	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.9
53.26392	3.0
53.88618	2.9
55.01869	4.1
55.05515	23.6
57.03438	57.0
66.44038	3.0
67.05510	42.3
69.03434	4.5
69.07050	15.2
71.04988	12.7
73.96032	2.9
79.05510	31.6
81.03424	73.6
81.07061	53.0
83.04990	19.6
83.08620	34.3
85.02908	73.5
87.04480	3.9
91.05480	46.5
93.07054	27.9
95.04975	37.4
95.08627	21.5
97.06519	4.8
97.10148	3.7
99.08101	3.5
105.07048	35.5
107.04935	7.9
107.08598	13.8
109.06538	6.8
109.10155	7.1
111.04440	5.0
111.08069	22.2
113.06020	9.6
115.05476	3.4
117.07034	4.4
119.08579	28.3
119.22588	3.4
121.10136	13.0
123.08137	5.7
123.11720	7.8
129.07001	15.8
130.06694	3.8
131.08597	17.8
133.06529	3.9
133.10124	16.5
142.07794	7.2
147.08066	4.9
147.11694	23.5
149.09612	8.9
157.10121	21.8
161.09616	3.7
165.12778	6.6
171.11609	5.4
175.11205	23.2
183.13745	3.0
193.12256	91.8
197.54755	3.5
211.13274	73.2
237.76952	3.3
258.91379	3.3
267.20773	3.8
284.32703	3.7
285.07605	5.9
285.16907	100.0
285.21671	17.4
285.25125	4.8
285.33151	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	285.1695
Annotation	Hysterone D
Peak:m/z	Relative Intensity
50.74934	3.1
53.03935	6.2
55.01871	6.3
55.05508	24.6
57.03194	3.8
57.03436	43.5
63.34829	3.2
66.79984	2.8
67.05496	34.4
69.03403	3.9
69.07076	15.6
70.32417	9.5
71.04971	11.1
79.05489	39.2
81.03416	79.8
81.07048	45.7
83.04980	23.8
83.08616	32.7
85.02898	82.0
85.06560	5.3
91.05476	47.3
93.07041	28.3
95.04964	34.1
95.08627	21.5
97.02891	4.3
97.06517	6.3
97.10211	5.3
100.68864	2.8
105.07032	39.4
107.04959	6.2
107.08597	13.8
109.06503	9.6
109.10139	8.6
111.04443	5.3
111.08064	20.6
113.05979	8.2
115.05423	3.6
117.07063	3.4
119.08576	31.5
121.06487	4.3
121.10155	17.2
123.08051	4.6
123.11664	4.9
129.06998	15.4
131.08603	20.0
133.10112	16.1
142.07761	5.7
145.10115	8.0
147.08044	5.7
147.11696	20.8
149.09628	7.5
157.10106	24.2
159.11673	5.6
165.12724	8.7
173.13199	3.2
175.11195	22.3
187.14743	3.5
193.12236	87.7
211.13280	70.8
215.18106	3.4
217.61958	3.4
256.35968	4.0
260.87674	3.3
267.15799	5.3
267.20993	4.4
285.07675	5.1
285.16946	100.0
285.21701	19.7
285.29794	4.0
285.33377	5.9
294.33618	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.9
55.01848	4.1
55.05512	26.4
57.03433	43.7
57.07070	3.7
63.00036	4.6
67.05509	37.1
69.03410	12.0
69.07046	9.1
69.90016	3.2
70.54576	10.5
71.04990	9.6
72.10997	3.3
79.05486	28.2
81.02984	5.5
81.03419	82.5
81.07050	49.9
83.04987	15.5
83.08626	30.2
85.02903	81.9
87.12575	3.7
88.90266	3.1
91.05476	46.9
93.07039	23.5
95.04977	43.4
95.08589	19.1
97.06514	6.2
97.10168	3.8
105.07023	33.3
107.04929	8.7
107.08591	12.7
109.06493	9.9
109.10144	5.9
110.41582	3.8
111.04445	4.6
111.08083	20.6
113.05995	7.8
117.07016	4.0
119.08559	30.0
121.10139	20.4
123.08117	5.0
123.11684	4.4
129.06961	16.2
131.08556	13.6
133.10129	18.6
135.04430	20.8
142.07742	3.7
145.10063	6.2
147.11703	28.8
149.09613	9.9
157.10121	14.5
165.12723	7.9
173.03709	4.9
175.11153	19.5
185.13342	4.1
193.12233	91.2
211.13278	81.5
221.57343	3.9
268.10962	4.7
285.04135	5.5
285.07663	6.0
285.11646	7.8
285.16885	100.0
285.22061	15.3
285.29715	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	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49434	5.9
55.05511	28.2
57.03437	46.1
57.07067	55.4
67.05502	24.8
69.07060	20.1
70.00344	4.6
71.04986	9.7
71.08637	30.9
71.48212	5.8
71.61121	8.9
79.05492	22.6
81.03417	47.0
81.07050	44.0
81.07923	5.1
83.04990	9.5
83.08626	25.9
85.02909	49.1
85.10184	16.4
91.05489	33.7
93.05045	5.4
93.07047	17.3
95.04953	27.5
95.08599	31.5
97.06536	7.6
97.10170	10.0
105.07030	24.7
107.08595	15.8
109.10117	6.9
111.08076	10.4
113.05994	5.3
119.08575	23.3
121.10147	16.7
123.11642	7.9
129.07018	8.4
131.08548	7.4
133.10149	10.8
142.07796	6.0
145.10214	6.0
147.11691	17.2
157.10147	11.8
173.13280	6.2
175.11211	14.6
188.59343	5.8
193.12230	49.5
211.13228	47.9
214.37825	5.0
216.75845	5.1
228.87048	5.6
232.62584	5.7
266.31912	5.3
285.07501	5.7
285.16937	56.4
285.21829	8.6
285.24313	100.0
285.29825	10.4
285.33115	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	285.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
53.17750	0.8
55.01859	2.3
55.05507	11.5
56.96557	2.1
57.03439	13.6
57.07073	1.5
60.27653	0.8
62.30692	0.7
67.05172	1.3
67.05503	20.5
69.03423	3.4
69.07065	9.2
69.96906	0.8
69.97736	2.0
69.98154	3.1
71.04985	2.8
71.77848	0.8
79.05489	17.2
81.03415	100.0
81.07053	36.8
83.04984	9.6
83.08138	1.7
83.08617	24.1
85.02897	10.7
85.06548	3.0
86.06039	1.4
91.05473	23.0
93.07042	14.6
95.04966	31.0
95.08601	12.5
97.02892	3.2
97.06514	4.3
97.10165	2.6
98.20690	0.8
99.08080	1.6
105.07034	19.9
107.04938	7.2
107.08582	9.3
109.06519	4.1
109.10161	4.5
110.02857	0.7
111.04433	1.8
111.08077	13.9
113.06022	1.3
115.05441	1.5
117.07020	2.9
119.07784	1.6
119.08575	19.3
121.06484	1.6
121.10139	11.8
123.08054	2.2
123.11689	7.9
125.09643	1.0
129.07004	8.5
131.08560	10.5
133.06468	2.9
133.10123	7.6
135.07979	1.0
135.11708	2.1
137.09575	2.7
142.07748	2.5
143.08536	1.1
145.10098	5.6
147.08046	3.1
147.11687	26.0
148.15585	0.7
149.08557	0.8
149.09608	5.0
151.07471	0.8
155.08574	1.4
157.06483	1.2
157.10129	13.8
159.11656	3.3
161.13266	1.2
163.11226	1.2
165.12737	10.2
169.10098	1.5
171.11693	2.2
173.13286	2.3
175.11177	15.8
175.14919	1.0
182.10861	1.1
183.11711	1.3
185.09605	1.3
185.13275	1.5
187.14853	1.4
193.12230	61.3
195.08104	2.0
197.13269	1.3
199.14847	1.6
201.12723	1.0
211.13220	15.5
211.14618	1.3
212.08363	1.6
213.08966	1.0
215.14169	1.0
225.09154	1.5
227.17920	1.2
229.14307	2.2
241.12178	3.8
253.08527	3.1
257.04379	1.8
267.15878	17.7
267.21039	3.3
285.03882	0.9
285.08264	1.0
285.11774	4.1
285.16919	26.1
285.22113	13.1
285.26123	1.7
286.04657	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	284.0992
Annotation	Guanosine
Peak:m/z	Relative Intensity
56.96560	2.5
57.03434	1.0
61.02929	0.6
69.03419	1.2
69.07049	0.6
70.06586	1.2
70.11412	0.4
70.13407	0.8
70.13815	1.2
81.03416	0.5
85.02901	2.5
86.09704	0.7
87.04450	1.5
91.85397	0.3
97.02891	1.4
97.99192	0.4
98.97597	2.1
105.05492	1.2
109.02882	0.5
109.05128	0.4
110.03539	1.7
110.07201	0.5
111.04427	0.5
116.98617	1.3
127.03861	0.5
128.04578	1.2
128.07118	0.4
128.98628	0.5
130.08624	0.3
134.04637	0.4
134.99690	1.0
135.03008	2.1
136.06197	1.4
145.04922	0.4
152.05678	100.0
153.02870	0.5
153.04092	6.5
158.99718	0.6
161.01169	0.4
172.36574	0.4
177.00710	1.2
237.02866	0.6
256.06696	0.6
284.09927	0.7
284.16055	0.6
284.29517	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	283.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	1.6
55.01871	6.4
55.05509	14.8
56.96563	1.7
57.03436	9.4
57.07074	100.0
59.05002	0.9
67.05503	14.6
69.03439	1.5
69.07065	11.4
71.04987	6.8
71.08640	3.4
71.59533	0.9
71.59901	1.0
73.02946	1.0
74.53355	0.8
76.48569	0.8
79.05487	16.9
81.03412	5.9
81.07051	16.9
83.01351	4.1
83.04980	8.7
83.08610	10.9
85.02910	1.8
85.06532	1.2
90.34042	0.7
91.05477	8.7
93.07040	20.3
95.04967	4.5
95.08602	19.7
97.02905	2.8
97.06523	5.8
97.10187	6.0
97.35892	0.6
99.04450	1.9
99.08099	2.7
99.11726	12.1
101.06022	0.7
105.07019	8.0
106.07808	0.8
107.04947	4.7
107.08593	13.9
109.06516	3.9
109.10137	5.0
111.04446	4.4
111.08084	3.4
111.11724	3.6
114.20389	0.7
117.07029	4.8
119.08579	6.3
121.06503	2.3
121.10142	20.0
123.08059	10.3
123.11694	2.4
125.06047	0.9
125.09617	1.4
127.11182	7.4
129.06969	1.4
130.07834	1.0
131.08583	4.0
133.10126	3.1
135.08073	2.4
135.11676	13.1
137.09592	1.2
137.13286	1.5
139.11147	0.7
143.08607	0.7
145.10118	10.5
145.12158	3.7
147.08057	1.2
147.11671	1.4
149.09602	3.0
149.13257	3.1
153.12766	4.5
157.10095	1.3
159.11700	1.9
163.11169	16.8
163.14819	2.8
167.14311	1.9
170.52007	0.7
171.11755	1.0
173.09601	2.2
173.13213	1.0
177.16397	1.0
181.12244	5.1
181.15857	0.8
187.14731	0.8
191.10663	2.4
205.19548	1.5
209.11710	5.8
219.21049	5.5
227.10567	0.9
227.12741	12.7
229.19498	1.9
229.89211	0.7
237.22105	3.9
241.21588	1.4
247.20549	2.7
265.21643	22.6
283.15372	26.6
283.20352	1.9
283.22809	2.2
283.62961	0.7
284.15836	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	283.2056
Annotation	11Z-6s-cis-fixed bicyclic retinal
Peak:m/z	Relative Intensity
51.00577	2.1
53.03933	2.9
55.01855	6.4
55.05519	16.1
57.03438	16.0
57.07088	10.3
59.04992	4.6
67.05501	18.0
69.03398	6.6
69.07061	16.2
71.04971	7.4
71.08607	4.5
71.60428	4.4
79.05490	20.5
81.03378	6.5
81.07061	30.8
83.01318	6.1
83.04984	13.9
83.08628	15.8
89.05991	3.6
91.05482	24.1
93.07039	41.0
95.04959	14.7
95.08608	25.3
97.06545	10.9
97.10144	6.2
105.06394	2.7
105.07032	42.8
107.04906	4.9
107.08595	28.9
107.25104	2.1
109.06468	9.9
109.10163	19.6
111.04408	5.3
111.08046	4.6
117.07027	10.5
119.08582	32.2
121.06515	10.7
121.09307	4.1
121.10134	43.5
123.08006	9.0
123.11660	7.2
123.34904	2.3
125.09599	3.1
128.06145	3.6
129.06985	8.2
130.07730	4.2
131.08553	20.5
132.77438	2.5
133.06493	3.0
133.10123	24.4
135.08105	10.6
135.11707	18.8
135.95958	2.2
137.09612	4.0
142.07770	6.1
143.08592	15.7
145.06500	3.1
145.10110	32.8
146.07233	2.7
147.08005	4.6
147.11642	8.1
149.09607	3.2
149.13205	3.7
153.12685	8.5
155.08531	6.0
156.09332	3.8
157.10121	19.3
158.10764	6.2
159.07982	7.3
159.11723	11.3
161.09660	19.3
161.13217	3.4
163.11203	21.7
167.08505	4.7
168.09294	3.5
169.10068	6.7
171.11661	15.2
173.09579	8.6
173.13278	41.4
175.11093	4.5
175.14807	7.1
179.08524	3.6
181.10054	6.2
181.12160	4.5
182.10925	3.2
183.11636	9.3
185.09525	4.4
185.13234	12.9
187.14771	6.1
191.10591	5.1
193.10078	3.8
194.10883	6.4
195.11626	9.3
197.13202	5.1
199.11128	3.1
199.14850	11.7
201.12679	4.1
201.16260	4.2
203.14331	2.5
207.11627	3.1
208.12489	4.0
209.11639	5.0
209.13339	16.6
210.13957	3.0
213.12645	6.9
213.16354	5.2
221.13245	2.5
223.14873	10.1
225.16296	7.1
227.12688	8.4
227.14259	8.1
235.14554	2.4
237.16357	3.7
245.07297	2.3
255.21150	4.5
259.76276	2.3
265.19537	30.4
283.15463	25.9
283.20441	100.0
283.28363	2.7
284.20831	2.8
284.29340	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	283.2056
Annotation	6-s-cis-locked retinal
Peak:m/z	Relative Intensity
53.03922	2.7
55.01860	6.1
55.05507	14.9
56.89072	1.9
57.03422	7.7
57.07067	6.3
67.05502	16.7
69.03429	3.8
69.07064	13.8
70.78503	4.2
70.78839	4.3
71.04967	7.6
71.08606	2.0
73.38958	1.8
79.05478	18.2
79.69350	1.7
81.03394	5.2
81.06639	2.9
81.07058	30.2
83.01290	3.5
83.04974	8.7
83.08620	10.1
85.06542	2.2
85.64146	2.0
89.06036	2.4
91.05480	16.8
91.76894	1.9
91.77653	1.9
93.07047	26.3
95.04972	13.5
95.08601	23.4
97.02858	2.6
97.06512	7.8
97.10165	5.0
105.07027	37.3
107.04911	3.9
107.08604	24.6
109.06515	8.1
109.10166	13.8
111.04414	4.1
111.08074	2.6
117.07008	9.2
119.08587	28.6
121.06489	8.1
121.10142	38.4
123.08051	6.0
123.11700	6.7
128.06226	2.8
129.07007	9.3
131.08569	21.1
133.08653	2.9
133.10112	20.0
135.08037	9.3
135.11716	14.9
137.09561	3.5
142.07834	4.8
143.08575	15.1
145.10121	31.7
147.07921	3.7
147.11673	6.6
149.09567	2.4
149.13203	3.4
153.12720	5.9
156.09363	3.4
157.10115	14.9
158.10860	6.2
159.08029	5.4
159.11702	12.9
161.09621	15.2
161.13297	3.9
163.11221	18.1
168.09270	3.2
169.10126	6.8
170.10884	3.8
171.11676	13.3
173.09583	6.8
173.13268	36.6
175.11139	5.0
175.14859	2.9
179.08618	3.5
181.10149	6.0
181.12140	5.1
183.11670	12.1
185.13309	10.9
187.11237	2.6
187.14795	6.0
189.12695	3.7
191.10748	3.1
193.10138	5.0
194.10876	4.1
195.11690	6.7
196.12375	2.3
197.13216	4.7
199.11150	4.5
199.14813	8.3
201.12726	3.8
201.16304	2.6
208.12492	2.4
209.11569	2.9
209.13315	14.5
213.12831	2.8
213.16281	3.5
223.14848	10.3
224.15656	2.7
225.16322	8.7
227.12491	4.1
227.14334	7.0
237.16414	2.6
239.17937	2.9
241.15913	3.6
244.39575	2.2
255.21094	4.3
265.19540	27.7
283.15564	23.3
283.20547	100.0
284.20877	4.0
284.29514	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	283.154
Annotation	1alpha-Hydroxyalliacolide
Peak:m/z	Relative Intensity
53.03941	4.4
55.01625	2.0
55.01874	27.4
55.05265	2.2
55.05511	33.7
57.03192	2.5
57.03440	34.0
57.07080	3.5
57.67106	1.8
59.04995	4.8
60.31231	2.2
67.05160	3.1
67.05502	33.0
69.03410	5.3
69.07070	18.1
71.01324	2.5
71.05006	9.2
73.02919	2.3
79.05496	41.1
81.03416	22.2
81.07059	38.0
83.01346	16.7
83.04985	49.1
83.08618	23.5
85.02896	5.5
85.06544	5.6
86.09705	2.0
91.05474	22.7
93.07041	54.3
95.04967	14.1
95.08604	28.6
97.02949	3.4
97.06539	20.9
97.10181	4.3
97.69308	1.7
99.04461	6.8
101.05968	2.4
103.05489	2.9
103.23644	1.9
105.07032	21.1
107.04958	25.1
107.08596	33.5
109.02857	2.8
109.06508	11.0
109.10148	10.8
111.04445	20.6
111.08086	10.7
117.07011	13.1
119.08578	15.5
121.02834	3.9
121.06490	7.2
121.10126	15.3
123.04435	2.9
123.08076	15.3
125.05989	5.3
129.07004	4.2
130.07768	2.2
131.08585	12.5
133.10156	5.8
135.04437	4.9
135.08038	4.9
135.11700	37.5
137.09619	4.6
139.07497	2.6
143.08556	3.2
145.06490	2.1
145.10115	33.1
147.08041	4.4
147.11661	2.4
149.09589	4.5
153.12746	36.2
155.08521	4.5
157.10152	2.9
159.11734	1.9
163.03905	8.6
163.11191	54.6
165.01843	4.5
171.11662	2.0
173.09627	8.6
181.12233	21.9
183.02997	2.2
191.10669	15.7
194.55595	2.2
201.09084	2.8
209.11717	15.7
210.14920	2.6
227.12770	29.7
229.13037	2.0
238.14455	2.8
239.18556	2.1
255.06560	2.6
265.14490	2.6
283.06052	25.8
283.15414	100.0
283.20117	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	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03942	3.0
54.46018	1.7
55.01873	16.5
55.05267	2.4
55.05513	29.7
56.96549	3.3
57.03188	2.5
57.03437	29.6
57.07060	4.7
57.80841	1.8
59.04986	5.3
65.03934	2.4
67.05181	2.4
67.05507	32.0
69.03413	3.1
69.07066	14.2
69.48676	4.8
69.49102	10.1
71.01344	2.6
71.04984	6.1
71.08627	2.0
79.05060	3.1
79.05491	35.2
81.03419	14.5
81.07053	35.2
83.01349	11.6
83.04983	28.5
83.08614	17.8
85.02893	6.9
85.06526	3.8
85.34085	1.8
91.05481	23.9
93.06477	2.4
93.07044	43.6
95.04955	16.2
95.08604	21.9
97.02902	11.6
97.06522	12.5
97.10144	4.1
99.04436	5.6
99.08080	2.0
105.07031	14.3
107.04948	17.2
107.08598	23.8
109.06512	11.8
109.10137	6.7
111.04440	16.7
111.08070	4.9
113.06049	2.5
115.31230	2.1
117.07013	15.4
119.08577	17.8
121.00468	1.7
121.06502	7.3
121.10139	18.3
123.08086	10.4
125.05972	2.3
125.09608	2.4
128.06195	1.7
129.06956	4.1
130.07777	3.5
131.08572	8.7
133.10126	6.0
135.08020	3.8
135.11708	30.6
143.08432	2.3
145.06488	2.3
145.10120	29.8
147.08092	4.3
147.11633	2.6
149.09619	3.6
153.12714	13.9
155.08517	4.2
157.10161	2.5
158.92107	1.8
163.11180	50.2
173.09610	11.6
181.12247	15.9
191.10681	16.6
200.26880	1.9
209.11742	20.5
227.12775	27.3
255.15938	5.7
265.14371	3.3
274.68408	1.8
283.15396	100.0
283.20493	7.1
284.15729	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	283.1546
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.04698	5.6
53.03958	7.6
55.01877	31.5
55.05509	45.4
56.51574	6.7
57.03443	29.0
57.07063	11.5
59.27607	5.4
59.44007	5.6
67.05501	51.5
68.75729	6.1
69.07060	24.7
71.04996	18.9
71.08628	6.4
71.60000	10.6
76.09135	6.7
79.05495	59.0
79.25638	5.9
81.03403	28.2
81.07062	55.4
83.01333	17.3
83.04980	25.7
83.08620	26.2
85.02907	11.0
85.10164	6.2
86.72296	6.2
86.91914	6.2
89.06047	5.4
91.05476	33.4
93.07047	64.6
95.04949	26.3
95.08617	32.9
97.02872	8.6
97.06507	30.9
99.04496	7.8
100.47987	5.7
105.06028	6.4
105.07040	30.8
107.04948	21.3
107.08591	41.2
109.06514	19.6
109.10147	13.0
111.04443	19.7
111.08086	13.5
112.29207	5.3
117.06998	16.3
119.08567	16.3
121.06483	6.4
121.10144	28.8
123.08044	12.5
125.09626	7.3
129.07036	8.8
130.07748	11.2
131.08554	16.1
133.10132	11.7
135.08086	8.9
135.11703	41.8
143.08571	8.7
145.06543	9.2
145.10126	37.2
145.41199	5.8
147.11681	9.2
149.09610	8.4
153.12788	10.2
163.11206	63.2
173.09546	8.9
181.12259	10.3
191.10725	13.8
209.11702	22.0
227.12773	29.9
241.21564	7.6
255.24855	5.7
283.15417	100.0
283.20465	13.6
285.10153	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	283.1539
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
55.01871	20.9
55.05505	36.1
57.03437	35.0
57.07054	4.1
59.04984	4.8
67.05217	2.4
67.05498	26.5
69.07045	11.8
69.07381	2.7
69.40469	22.0
71.04970	8.8
71.08617	2.9
77.56992	2.8
79.05479	28.1
81.03427	19.3
81.03831	4.3
81.07059	33.2
82.64064	2.6
83.01336	26.9
83.04974	27.6
83.08608	27.4
85.02891	7.4
88.04103	2.7
89.06014	7.1
91.05492	23.1
93.07045	44.5
95.04955	13.9
95.08632	20.4
97.02879	3.4
97.06534	10.4
97.10164	4.1
99.04442	5.9
105.07042	13.6
107.04965	17.5
107.08583	26.0
109.06520	13.8
109.10150	6.4
110.91711	2.6
111.04428	6.5
111.08035	4.0
117.07005	9.3
119.08599	20.2
121.06476	7.1
121.10164	17.2
123.08078	15.1
123.11710	3.6
125.09655	2.8
130.07764	4.5
131.08530	6.0
133.08652	4.3
133.10075	8.1
135.08052	4.7
135.11688	22.2
143.08627	3.0
145.10132	33.7
147.08026	3.5
153.12711	7.1
155.08469	5.0
163.11197	47.5
173.09587	10.5
178.60995	3.0
181.12219	9.4
191.10658	6.9
209.11758	21.4
209.13516	4.9
227.12772	14.7
242.24869	4.8
283.15372	100.0
283.20517	12.3
283.23914	6.4
283.27985	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.1542
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.02632	4.2
53.03943	8.3
55.01876	20.6
55.05514	40.6
56.96574	6.9
57.03439	31.3
57.07055	11.1
59.05007	7.3
67.05516	41.5
69.03409	4.8
69.07060	22.0
71.04996	10.4
71.23027	4.4
79.05498	40.8
81.03428	26.3
81.07070	42.7
83.01350	23.2
83.04989	36.9
83.08611	27.8
85.02909	4.8
85.10177	5.5
89.06005	6.1
91.05469	26.6
93.07052	50.5
95.04968	17.3
95.08612	36.6
97.02904	10.7
97.06522	5.1
99.04447	6.1
105.07018	29.6
107.04967	19.1
107.08597	36.6
109.06515	10.1
109.10166	14.8
111.04464	12.4
111.08089	4.9
117.07027	16.7
118.20144	4.9
119.08594	25.7
121.06520	9.5
121.10172	25.3
123.08099	18.2
123.11717	6.9
131.08598	11.4
133.10141	8.7
135.11688	37.7
143.08597	5.7
145.10120	51.6
147.11690	25.4
153.12738	14.6
161.09590	4.4
163.11197	66.1
173.09570	7.3
181.12297	13.9
191.10718	13.7
209.11765	20.1
227.12793	44.2
283.15390	100.0
283.20428	69.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
51.08644	2.7
52.25821	3.0
55.01875	15.4
55.05514	36.9
57.03438	31.1
57.07071	5.5
59.05010	7.8
65.52921	2.9
67.05499	29.3
69.07064	9.6
69.26714	34.8
71.04991	8.6
71.08574	3.4
79.05489	28.7
79.26930	3.2
81.03429	19.4
81.07056	35.3
83.01340	17.7
83.04992	24.5
83.08618	20.5
85.02917	5.9
91.05478	20.6
93.07039	47.4
95.04972	13.9
95.08611	11.8
97.02879	5.1
97.06550	10.8
97.10188	5.8
99.04451	7.0
105.07020	20.4
107.04952	11.6
107.08613	23.4
109.06528	13.2
109.10154	6.2
111.04487	5.0
111.08096	4.8
112.55096	3.1
112.89370	2.7
117.07008	12.2
119.08556	16.0
121.06503	7.6
121.10139	20.7
123.08057	10.3
126.90493	3.4
129.07051	3.1
131.08585	7.5
133.10172	6.6
135.08083	4.7
135.11676	29.4
145.10100	34.4
147.08022	4.2
153.12727	7.1
163.11185	57.1
173.09671	14.1
181.12276	12.1
191.10757	4.4
209.11751	21.0
214.56006	3.0
227.12843	15.2
283.15405	100.0
283.20126	5.5
283.28442	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.154
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03953	10.7
55.01864	16.6
55.05510	46.4
57.03436	46.6
57.07068	19.4
67.05492	30.1
67.16120	6.1
69.07069	17.7
69.28240	75.5
71.05000	10.4
77.43739	5.5
78.83355	6.2
79.05495	39.0
81.03417	12.0
81.07056	38.8
83.01360	16.8
83.04990	28.6
83.08621	30.5
85.02886	7.0
89.06026	6.8
91.05486	29.3
93.07046	60.3
95.04974	15.2
95.08596	34.2
95.76574	5.7
97.06541	14.5
105.07024	24.6
107.04951	10.1
107.08589	28.8
109.06510	9.6
109.10173	8.3
111.04448	11.9
111.08054	6.3
111.68293	5.8
117.07018	23.2
119.08609	18.6
121.06509	62.3
121.10158	28.5
123.08076	9.3
123.89753	6.1
133.10091	7.1
134.00972	5.5
135.08107	5.6
135.11687	40.4
145.10091	34.0
147.11699	7.0
153.12738	8.4
163.11195	74.6
170.50514	5.7
173.09615	8.6
181.12294	18.5
208.12592	5.8
209.11681	17.9
227.10735	11.8
227.12723	51.4
283.15244	100.0
283.20465	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	283.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96749	3.2
53.08089	2.9
55.01867	13.5
55.05513	22.0
57.03429	18.2
57.07069	7.2
64.11383	3.2
64.43633	3.7
67.05506	28.3
69.07070	17.9
69.49364	30.9
71.04980	7.7
73.02915	3.8
79.05492	28.7
81.03415	5.3
81.07056	37.3
83.01372	4.3
83.04971	11.6
83.08618	18.3
89.06038	5.7
91.05477	23.9
93.07048	48.2
95.04984	10.4
95.08599	49.4
97.02892	6.4
97.06527	9.6
97.10176	6.0
99.04433	4.2
99.08080	4.3
104.64301	3.3
105.07035	14.3
107.04989	14.5
107.08586	31.5
109.06516	4.0
109.10159	7.0
111.04488	5.4
117.07029	14.2
118.21174	3.4
119.08577	20.8
120.23312	3.1
121.06532	10.4
121.10138	25.1
123.08018	4.9
129.07027	6.2
131.08578	14.0
133.10115	9.5
135.08008	5.9
135.11684	51.9
139.68788	3.7
143.08524	5.4
145.10117	35.8
149.09627	3.9
153.12697	4.3
155.08557	6.6
157.10107	7.6
159.08012	16.2
160.29826	3.4
163.11171	73.9
173.09549	6.4
173.13318	5.4
180.02025	4.2
181.10849	4.0
181.12291	15.2
209.11636	6.5
213.12726	4.0
217.09341	3.8
227.10547	4.8
227.12766	100.0
244.83812	4.0
255.20520	3.3
283.15396	68.3
283.20404	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.2
55.01860	2.6
57.03420	3.5
58.33065	0.8
59.98387	1.0
60.10693	0.9
60.22112	1.0
60.59697	1.1
61.02928	9.0
67.05511	1.0
69.03087	1.1
69.03432	15.9
69.07069	1.2
69.86133	6.3
71.04982	3.7
72.08151	1.3
73.02905	3.3
81.03417	6.6
82.46490	0.9
83.01337	1.7
85.02905	100.0
85.06542	47.9
87.04437	2.9
91.03942	6.5
97.02896	18.6
98.21457	1.2
98.97575	2.5
99.04443	5.0
103.07588	11.0
109.02866	8.8
115.03926	2.0
116.98621	1.7
120.08130	1.5
120.10179	1.1
121.08443	3.5
127.03919	28.8
136.06171	4.8
145.04962	56.6
149.02875	1.2
163.06024	20.6
180.08809	1.3
204.05457	2.0
219.01828	1.1
229.10686	9.5
237.02890	1.7
247.65440	1.1
282.21823	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	283.1526
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
53.03939	1.3
55.01867	1.9
55.05510	6.7
56.96564	2.2
57.03431	2.0
57.07074	1.3
67.05499	6.1
69.03436	1.4
69.07068	4.9
70.16856	2.9
71.04976	1.8
73.32439	0.7
79.05505	5.3
81.03422	2.3
81.07060	8.5
83.01334	1.0
83.04987	4.7
83.08614	2.4
85.02898	1.2
85.06557	1.0
85.76343	0.6
91.05478	3.2
93.07050	8.3
95.04979	1.9
95.08607	8.9
97.02903	1.2
97.06506	3.2
97.10173	2.3
98.21429	0.8
98.97579	1.2
99.04470	1.1
105.07021	3.7
107.04945	2.1
107.08595	5.4
109.06558	1.0
109.10164	3.7
109.86893	0.6
111.04468	1.5
111.08096	1.8
116.98637	1.4
117.07011	1.3
119.08585	3.0
121.06523	1.3
121.10162	3.6
123.08074	1.5
123.11698	1.6
125.09624	1.3
129.07004	0.7
131.08588	1.7
131.55782	0.6
132.36140	0.7
133.10107	1.4
134.99716	1.0
135.11719	6.2
137.13223	0.7
141.09108	0.7
141.86339	0.6
145.10138	4.4
147.08073	0.6
149.09596	0.8
151.07559	1.0
153.12740	2.8
159.11661	0.9
163.11212	7.2
169.10176	1.2
171.11632	0.9
173.09631	1.2
181.12241	2.5
185.13318	1.3
189.12804	0.8
191.10672	1.9
201.16335	0.9
209.11792	0.7
219.21228	0.6
227.12798	7.4
233.11577	3.0
239.06604	0.6
247.16905	1.3
247.24124	0.7
251.11301	0.9
265.14160	1.6
265.21793	0.6
265.25208	1.2
269.12369	4.1
273.64996	0.7
274.14383	0.7
282.65952	2.3
283.15192	100.0
283.20401	3.6
284.15561	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	281.1748
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
51.79247	2.0
53.03937	8.9
55.01860	5.4
55.05508	33.1
57.03435	22.2
57.07067	5.3
65.03953	2.5
67.05508	80.5
69.03425	5.6
69.06773	2.2
69.07072	21.0
71.04977	6.3
71.59635	3.7
73.06545	2.5
79.05492	100.0
79.05960	4.9
81.03419	15.3
81.07055	64.5
83.04980	30.9
83.06596	2.4
83.08599	10.7
83.84453	2.2
85.06553	5.8
87.04426	2.7
91.05479	70.6
93.07043	81.0
95.04958	32.8
95.08604	40.7
97.02892	3.3
97.06516	6.2
97.10149	5.3
98.97550	2.4
99.04546	2.0
99.08089	2.5
105.07033	56.2
107.04945	7.7
107.08581	31.7
109.06526	13.1
109.10150	12.8
110.99886	1.8
111.08074	3.1
115.05436	3.4
117.07024	9.5
119.08584	36.0
121.06504	5.4
121.10150	13.7
123.08070	11.2
123.11734	2.6
125.80119	2.0
127.07491	2.7
128.06207	7.7
129.07011	17.5
131.08565	6.1
133.06549	2.2
133.10121	18.9
135.08125	2.2
135.11708	6.0
141.07001	2.1
142.07822	2.9
143.08563	15.1
145.10112	16.9
147.08020	5.9
147.10637	3.5
147.11691	41.0
149.02347	3.6
149.09601	2.6
149.13216	2.4
150.02631	3.8
151.02841	4.6
156.09299	4.7
157.10100	2.6
159.08099	3.9
159.11667	2.4
161.09618	11.2
161.13278	19.6
169.10107	3.1
171.11702	39.3
172.80341	2.2
183.11594	2.2
189.12704	15.2
193.10185	4.0
195.11713	4.2
197.13324	5.0
199.11235	2.4
207.11835	4.4
207.13756	20.1
221.13243	3.7
248.15594	2.4
270.86285	3.2
278.77420	2.0
281.17133	68.3
282.17883	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	282.0138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	5.6
71.57371	4.1
73.02911	6.5
83.85489	3.2
85.02908	6.2
98.97600	7.2
99.48936	3.3
104.10703	4.4
112.89607	100.0
114.89332	31.0
116.98608	18.1
134.99658	22.9
153.00693	8.4
161.02979	4.3
178.00946	3.3
183.55190	3.7
187.26248	3.5
196.66116	3.3
200.54552	3.5
203.03902	4.6
208.81453	4.2
258.99777	11.8
259.02448	4.4
277.00739	28.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2318
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
51.69677	1.2
55.05493	6.0
57.07056	5.3
60.71205	1.4
60.73178	1.3
62.10360	1.3
67.05502	86.8
68.84757	1.4
69.07078	8.6
69.62801	10.2
79.05501	6.9
81.07053	100.0
82.07365	1.4
83.08611	6.6
91.05459	2.5
92.26550	1.7
93.07030	7.5
95.08605	82.6
97.10155	4.5
105.07001	2.7
107.08588	7.4
109.10155	64.5
111.11712	2.0
115.53052	1.4
119.08572	2.5
121.10131	5.5
123.11711	46.6
127.07529	1.5
131.08546	3.5
133.10101	2.8
135.11687	2.8
137.09631	2.1
137.13243	21.2
145.10132	2.5
147.11681	5.2
149.02336	34.7
149.13228	5.1
151.14810	5.0
159.11662	3.1
161.13229	4.5
163.11153	1.7
163.14861	3.4
165.12730	2.1
173.13226	3.7
177.12683	1.9
181.12231	3.1
187.14796	4.8
191.14249	4.1
195.13791	4.7
209.15353	4.3
223.16928	6.0
237.18486	3.0
243.21002	3.4
261.22186	9.3
279.23175	97.8
280.23557	4.3
297.88754	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	281.1747
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.75522	1.6
53.03947	9.4
53.10118	1.8
55.01854	5.3
55.05273	2.5
55.05511	35.7
57.03196	2.2
57.03437	32.6
57.07059	4.2
58.27685	1.7
59.08295	1.6
65.03918	5.3
67.05505	91.3
69.03407	3.7
69.06728	2.0
69.07063	19.4
69.28769	21.4
71.04980	4.1
71.08613	1.6
73.06518	2.6
79.05492	100.0
81.03423	13.5
81.06590	3.2
81.07055	71.0
83.04984	36.6
83.08650	9.9
85.06532	6.4
91.05482	67.2
93.07044	74.4
94.43553	1.8
95.04963	34.7
95.08609	43.9
97.02883	2.0
97.06506	6.3
97.10148	4.3
103.05449	2.4
105.04512	2.2
105.07029	52.5
107.04952	9.8
107.08598	26.4
109.06495	12.4
109.10150	11.8
111.08104	1.9
113.09632	2.4
115.05457	3.5
117.07019	11.8
119.07803	2.4
119.08575	36.1
121.06467	3.2
121.10092	7.2
123.08081	9.6
128.06195	2.7
129.06996	22.4
131.08521	5.6
133.10123	12.4
135.07997	2.0
135.11624	5.1
143.08569	8.6
145.10112	17.0
147.08000	3.9
147.11679	44.4
150.02641	2.1
154.16397	1.7
159.11664	2.4
161.09578	4.6
161.13255	19.4
171.11678	30.4
176.25490	1.9
189.12738	15.7
207.13791	16.7
260.11465	2.1
260.61725	1.8
269.12305	2.1
281.14304	3.6
281.17441	68.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2319
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
55.05515	8.6
57.07084	7.6
65.03928	2.4
67.05505	97.3
69.07070	7.9
69.77700	6.0
69.78112	2.5
71.04989	1.4
79.05498	11.8
81.07057	100.0
83.08617	5.1
91.05474	3.4
93.07042	12.9
95.04944	1.5
95.08607	79.2
96.08933	1.6
97.06522	1.2
97.10157	1.4
98.20817	1.5
105.07037	2.6
107.08566	6.8
107.10770	1.1
109.06482	1.9
109.09460	1.8
109.10151	26.1
111.11757	1.4
117.06998	1.8
119.08546	3.7
121.02885	1.7
121.10147	8.0
123.11711	16.5
131.08546	4.0
133.10065	1.6
135.11685	4.7
137.09596	1.3
137.13277	11.0
145.10094	4.1
147.11684	3.2
149.02335	30.8
149.09647	2.4
149.13266	2.7
151.14832	6.1
151.60579	1.2
157.61263	1.3
157.98772	1.2
159.11705	2.7
163.14832	2.2
173.13240	7.6
174.13409	1.5
177.12737	2.4
179.14397	1.6
181.12233	2.1
187.14787	2.1
191.14224	1.8
195.13843	4.4
209.15385	4.7
223.17061	3.0
243.21027	2.6
261.22165	4.2
279.20300	2.5
279.23196	34.5
280.23560	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	279.1703
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.01873	0.7
57.07074	12.4
58.35542	0.7
67.05512	0.7
69.07058	1.0
70.59559	1.3
70.59946	1.1
81.07049	1.9
86.09702	100.0
87.10040	0.9
91.05470	3.0
93.07046	1.7
95.05004	0.9
95.08591	1.9
103.05468	2.7
105.07011	1.2
107.08585	1.1
109.10162	0.8
116.98624	0.7
119.08661	0.7
120.08102	82.0
121.02870	3.3
121.08480	0.7
121.10144	0.9
123.08036	0.8
123.11689	0.7
132.10193	1.7
143.63802	0.6
147.11674	1.0
149.02341	81.7
150.02721	1.0
166.08638	8.6
167.03387	2.4
177.00700	0.6
201.12889	0.7
205.08662	0.8
219.13885	0.9
222.76367	0.6
223.09439	0.6
233.16473	2.0
279.17072	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	279.1705
Annotation	H-Ile-Phe-OH
Peak:m/z	Relative Intensity
55.05515	0.6
56.05029	0.4
56.25446	0.4
56.96572	0.6
57.07078	12.1
57.19535	0.4
61.23300	0.3
64.78495	0.4
65.03947	1.1
66.92950	0.3
67.05499	0.9
69.03422	0.7
69.07070	11.4
70.06562	0.5
70.27708	1.1
70.28104	0.9
71.04991	0.5
81.07050	1.6
83.46328	0.4
85.02892	1.1
86.09705	100.0
87.10046	1.2
88.61407	0.4
91.05479	1.0
93.07040	0.9
95.08600	0.9
97.02835	0.4
98.97576	1.7
105.07030	0.6
109.06562	0.8
116.98608	1.4
119.08610	0.9
120.08116	7.8
121.02868	4.4
121.03789	0.5
121.03926	0.4
124.07553	0.6
125.05957	0.4
131.08565	0.6
134.99651	0.6
145.10101	0.4
149.02344	87.1
150.02681	1.6
159.11813	0.5
166.08643	5.1
167.03452	2.7
177.00722	1.3
190.05003	0.7
198.06505	1.2
205.08632	1.1
219.08109	0.5
237.02953	0.6
279.13284	0.9
279.17023	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	279.0476
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22065	1.2
53.86557	1.2
56.81551	1.3
56.96566	6.5
57.07064	1.8
69.34915	11.7
69.35311	3.7
73.41144	1.5
74.94053	1.2
78.92385	1.4
80.75655	1.2
98.97580	100.0
110.97566	21.3
113.74374	1.3
116.98615	72.7
119.01927	2.2
124.75066	1.3
125.20002	1.2
128.97678	2.6
128.98604	32.6
134.99648	37.8
136.93980	3.1
137.76930	1.2
140.00171	3.5
146.99663	21.9
149.02318	18.3
153.00705	4.6
158.01295	2.5
158.99648	28.1
165.00752	4.1
170.99623	7.7
177.00708	65.0
188.99023	1.7
189.00702	27.1
190.01135	1.3
195.01785	9.4
200.02290	3.0
207.01764	19.6
219.01729	7.7
237.02806	5.9
255.03839	4.1
279.04672	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	23.7
57.07078	14.2
58.99585	9.1
60.04555	0.6
61.01158	0.9
61.63217	0.6
65.03939	1.6
67.05518	1.5
70.75230	2.1
73.01154	0.8
76.02233	4.1
76.03985	2.0
81.07058	1.1
83.08624	18.9
83.82094	0.7
86.99061	10.2
88.02214	2.7
93.07059	0.7
95.08604	0.8
98.97559	0.9
101.09668	1.1
115.05806	0.7
116.01685	41.7
116.98643	0.8
118.88077	0.7
121.02885	4.9
121.03666	0.7
135.11522	0.6
144.01146	17.1
149.02350	100.0
159.08374	4.9
160.95821	0.7
161.87326	0.7
162.02214	73.9
165.07530	0.6
167.03426	2.6
179.04910	1.0
189.00613	0.7
205.08685	1.5
228.68062	0.7
244.09947	0.7
262.11105	22.9
273.67130	0.7
279.13559	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	279.0393
Annotation	Unknow
Peak:m/z	Relative Intensity
55.39817	1.5
56.96571	8.7
57.61872	1.5
58.73450	1.5
70.16085	6.6
72.10928	1.4
81.74397	1.6
84.96014	2.3
98.97583	98.3
106.94055	1.7
110.97552	5.8
116.98620	68.5
119.01863	1.8
128.98634	11.0
134.99664	31.3
136.94048	6.5
140.00201	3.0
143.00134	3.0
146.99594	7.4
153.00684	4.3
158.01277	2.4
158.99658	33.2
161.01271	2.9
161.02919	2.9
165.00729	2.0
167.82249	2.0
170.99673	1.9
177.00717	100.0
189.00710	12.8
195.01817	12.7
200.02306	6.9
207.01793	7.9
219.01711	19.0
227.31584	1.6
237.02867	21.6
255.03871	15.6
260.04294	2.2
267.46609	1.8
279.04688	36.0
297.04984	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	278.0693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71597	0.4
54.55818	0.4
55.01866	0.7
56.96558	1.4
57.03426	0.8
61.02917	2.0
69.03435	3.2
70.06609	0.6
70.99566	2.0
71.42696	0.9
71.43027	0.6
73.02910	0.8
77.99395	0.5
78.30480	0.5
81.03413	1.4
85.02907	10.3
91.03941	0.8
97.02894	2.8
98.00641	25.5
98.97594	1.8
99.04431	0.6
99.44768	0.5
99.96940	0.5
108.93047	0.4
109.02866	0.9
110.97548	0.5
116.01678	100.0
116.98640	1.5
117.01986	0.8
120.08099	0.5
127.03916	2.6
134.99615	0.6
145.04977	2.0
149.02333	2.2
158.99609	0.7
161.04686	0.9
177.00732	1.1
227.06578	0.5
237.02721	0.5
278.07071	1.0
289.08777	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.5
56.05037	3.3
56.26475	0.5
56.32976	0.5
56.96568	3.0
57.07081	7.8
58.06605	5.4
60.04525	1.2
67.05502	2.9
68.05013	0.5
69.03423	1.2
69.07072	6.0
69.43077	5.0
70.06590	1.3
70.07396	1.1
70.47858	0.5
71.04982	1.7
71.08648	2.5
71.35062	0.5
72.08137	1.1
74.06102	3.9
79.05508	3.0
81.03426	1.3
81.07053	6.6
82.07384	2.1
83.04952	0.9
83.08618	1.4
85.02889	1.4
85.06549	0.7
86.06066	4.3
87.04489	1.0
88.07635	23.7
91.05483	2.2
93.07050	2.3
94.07408	0.9
95.04967	1.3
95.08620	5.7
96.08939	2.0
97.06532	3.9
98.06858	1.8
98.97601	2.3
100.07632	1.0
104.07101	3.3
105.07031	1.7
107.08592	2.5
108.08915	1.0
109.06540	0.9
109.10186	3.0
110.10455	1.5
111.08094	0.7
116.98610	2.5
118.08671	0.6
119.08565	1.7
121.02874	1.3
121.10138	2.4
122.10517	1.1
123.11696	1.3
131.08559	1.3
132.10211	6.7
133.10124	2.1
134.99672	1.6
135.11710	0.8
135.63045	0.5
137.09570	0.7
139.53601	0.7
145.10292	0.6
146.99696	0.9
147.11656	1.6
149.02350	37.0
149.09622	1.2
150.13657	0.6
157.10161	1.1
158.99664	0.8
161.01237	0.9
161.13266	0.7
162.11261	2.3
164.04285	1.7
166.10753	1.9
167.03404	1.4
173.02380	0.6
173.13203	0.5
174.02713	0.6
175.11208	1.6
177.00769	1.8
186.18550	33.7
190.05051	0.8
191.03563	0.7
192.03793	1.5
193.12341	1.2
194.57310	0.6
198.18561	0.6
211.13290	6.4
216.07407	1.6
225.14871	0.9
230.21156	12.3
234.08398	0.7
243.81554	0.6
257.14093	0.7
260.10037	3.4
260.22256	0.9
270.13242	0.9
278.23285	100.0
279.13586	0.6
279.23526	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	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
52.82887	1.5
53.03931	5.1
53.33553	1.4
55.05510	19.1
56.65101	1.3
57.07064	4.5
58.19789	1.3
67.05501	34.3
69.07068	15.6
70.66690	5.0
79.05490	73.2
81.07054	32.3
83.08630	8.2
84.68327	1.4
85.06546	2.0
91.05480	30.7
93.07041	100.0
94.17245	1.5
95.04980	8.8
95.08605	25.5
97.06490	2.7
97.10168	4.7
105.07018	15.3
107.07862	3.1
107.08591	55.6
109.06523	3.0
109.10158	15.5
117.07015	3.2
119.08573	13.4
121.10138	43.8
123.08031	1.6
123.11703	2.5
131.08553	4.3
133.10129	11.6
135.08110	2.4
135.11684	53.5
143.08398	1.6
145.10133	4.0
147.11710	7.7
149.09697	1.6
149.13254	22.1
150.93564	1.4
157.10045	1.9
159.11700	5.0
161.09567	1.5
161.13210	5.1
163.14821	6.2
166.13922	1.6
169.87218	1.4
171.11650	2.9
173.13242	2.6
175.11189	1.6
181.12215	2.4
185.13306	2.3
193.12166	2.1
195.13777	3.0
207.13837	2.6
213.16499	3.7
221.15343	3.5
235.16982	6.0
241.19730	2.0
259.20609	5.1
277.21634	93.8
278.22037	1.7
292.17850	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	277.2162
Annotation	Stearidonate
Peak:m/z	Relative Intensity
53.03935	2.9
55.01862	2.2
55.05509	15.8
56.41282	1.0
57.03410	1.4
57.07071	7.4
59.82430	1.1
65.12273	1.2
67.05175	1.9
67.05504	31.0
69.07066	14.1
70.14840	3.9
70.15256	2.1
71.04962	2.7
71.08629	1.9
79.05493	62.2
81.07056	32.7
83.04965	2.9
83.08614	7.6
85.06524	2.5
91.05481	23.6
93.07042	100.0
95.04961	7.9
95.08607	20.0
97.06509	3.5
97.10151	2.9
99.08109	1.5
101.06042	1.5
105.07026	15.2
107.04967	2.4
107.08591	43.8
109.06519	3.5
109.09457	1.7
109.10155	16.6
111.08100	1.4
117.06998	3.5
119.08582	11.5
121.10144	41.4
123.08064	2.9
123.11689	4.2
125.09574	1.7
129.06985	2.2
131.08562	4.1
133.10121	12.6
135.08067	2.7
135.10684	2.5
135.11691	48.0
143.08549	2.6
145.10124	5.4
147.07903	1.2
147.11685	8.8
147.53851	1.2
149.02386	2.2
149.09534	1.6
149.13271	23.1
151.11154	1.5
157.10114	2.0
159.11665	2.7
161.13260	6.5
163.11125	1.6
163.14819	6.9
171.11731	3.2
173.13264	3.3
175.11201	1.3
175.14789	3.1
177.12706	1.6
178.37651	1.2
179.10681	1.5
185.13202	3.0
192.55125	1.3
193.12225	2.3
195.13800	2.7
199.14748	1.3
203.43695	1.1
207.13756	2.8
213.16347	1.6
217.19717	1.3
221.15393	3.7
235.16911	5.1
241.19565	4.2
259.20575	4.7
277.21616	98.7
278.21899	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
50.92171	0.7
53.03931	4.1
55.01849	1.1
55.05271	1.3
55.05511	17.9
57.07053	2.9
59.04993	1.2
65.03933	0.9
65.84060	0.8
67.05503	31.3
69.07067	14.7
69.28140	9.3
71.04976	1.3
77.03908	1.2
79.05492	72.6
81.07055	35.2
83.04951	1.7
83.08617	7.8
85.06531	1.6
91.05482	25.9
93.07042	100.0
95.04969	6.8
95.08606	23.0
97.06506	2.8
97.10114	5.3
105.04523	2.3
105.07034	15.5
107.08593	52.5
109.06490	2.1
109.10151	14.8
111.08060	1.2
113.06063	1.0
117.06998	3.4
119.08576	10.7
121.10141	54.5
123.08099	2.3
123.11713	3.2
125.09594	1.4
127.07558	0.9
129.07007	1.5
131.08611	4.5
132.80002	0.9
133.10132	11.2
135.08090	2.2
135.11690	59.9
143.08554	2.4
145.10115	3.6
147.11684	7.8
149.09590	1.2
149.13255	24.1
151.11201	1.1
157.10124	2.0
159.11697	3.7
161.13243	5.5
161.72763	1.0
163.11177	1.2
163.14841	7.6
164.87364	1.2
167.10666	1.4
171.11644	2.7
173.13258	2.9
175.11118	1.7
175.14827	3.4
177.12704	1.5
181.12170	1.7
185.13290	3.4
189.12691	1.4
193.12285	1.0
195.13887	1.4
199.14792	2.1
207.13780	2.7
213.16481	1.7
217.16046	1.0
221.15384	3.9
231.17445	1.2
235.16803	4.7
241.19617	2.3
244.87833	1.0
253.64374	1.0
259.20560	5.1
277.21622	96.6
278.22092	1.4
299.40933	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	277.2162
Annotation	Stearidonic Acid
Peak:m/z	Relative Intensity
53.03936	2.6
55.01622	2.0
55.01870	25.6
55.05512	20.3
56.96564	1.3
57.07059	5.1
67.05503	30.1
69.07063	15.4
70.18401	6.8
71.04993	3.0
71.08617	5.3
79.05490	36.1
81.03394	1.7
81.07051	38.6
83.04976	5.4
83.08634	11.5
83.46400	1.3
85.06512	1.3
91.05478	21.4
92.05828	1.5
93.07038	47.6
95.04965	8.8
95.08605	23.8
97.06516	6.4
97.10162	3.5
99.08087	5.0
105.07019	17.1
107.08585	30.4
109.06529	7.1
109.07181	1.4
109.10148	12.1
111.08077	30.7
113.09643	2.8
117.07034	3.2
119.08546	8.5
121.06526	1.6
121.10137	21.8
123.08086	3.6
123.11706	6.4
123.48199	1.3
129.07056	2.0
131.08556	5.6
133.10117	15.6
135.11685	24.0
137.09596	2.7
139.11229	2.2
140.12312	1.5
145.10085	3.0
147.11700	9.4
149.02306	2.1
149.09566	4.4
149.13248	15.2
151.11195	5.2
157.10159	3.2
159.11702	4.2
161.09546	1.9
161.13266	7.0
163.11200	2.9
163.14839	3.3
165.12756	6.3
171.11659	2.7
175.14819	4.8
179.10658	2.2
179.14284	2.4
185.13254	3.1
189.12674	2.7
193.12144	2.1
193.15724	1.4
195.13876	1.5
199.14734	2.0
207.13715	2.3
213.16431	1.8
231.20998	3.4
235.16891	6.5
241.19455	4.0
249.22173	6.9
259.20490	11.3
259.37604	1.6
277.18326	6.0
277.21616	100.0
288.26422	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0683
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25066	10.0
63.34449	9.5
70.04735	17.9
70.05141	31.9
78.54508	9.1
86.81127	8.6
98.20772	18.4
146.83258	9.1
252.77571	8.7
277.03268	100.0
277.06204	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	277.2163
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
51.03624	1.0
53.03938	2.1
55.01870	3.8
55.05513	19.1
56.96556	2.7
57.03440	4.7
57.07081	7.9
57.07324	1.8
59.05014	1.6
60.63893	1.2
65.03938	3.8
67.05509	39.7
69.03426	5.0
69.07073	32.2
70.86243	3.2
71.04987	9.5
73.06512	1.4
76.72764	1.2
79.05499	23.7
81.03415	3.7
81.07060	75.0
83.04980	5.6
83.08620	8.3
85.02921	3.0
85.06538	6.3
91.05482	14.6
93.07047	36.1
94.59091	1.1
95.04363	1.7
95.04971	35.3
95.08611	50.4
97.02901	2.5
97.06535	31.2
97.10174	5.3
98.97611	3.5
99.08112	3.1
100.11265	6.8
105.07037	23.3
107.04956	3.2
107.08604	26.6
109.06512	15.3
109.10165	52.8
111.04479	2.8
111.08076	6.5
111.11720	3.6
116.98653	2.6
117.07031	9.1
119.08578	18.2
121.06506	2.8
121.10146	24.4
122.10515	1.2
123.08066	7.1
123.11716	28.6
124.07635	3.5
125.09653	8.5
127.11239	2.9
131.08585	7.8
133.06535	1.9
133.10136	17.6
135.04431	2.4
135.08054	8.0
135.11696	13.9
137.09631	10.5
137.13246	17.4
139.07468	1.4
139.11195	3.4
141.12759	1.2
143.08582	4.8
145.10120	6.1
147.08099	2.1
147.11674	8.5
148.09885	1.6
149.02368	2.4
149.09673	5.5
149.13248	7.4
151.07541	1.9
151.11212	6.1
153.12791	1.6
157.10187	2.9
159.11690	8.4
161.02396	4.6
161.09615	2.0
161.13287	9.5
163.03908	10.8
163.11217	1.8
163.14874	3.4
165.12796	2.5
171.11766	3.0
173.02379	8.4
173.13258	2.4
175.14825	6.9
177.00761	1.6
177.12796	3.4
177.16487	1.3
182.15443	3.1
185.13287	3.4
187.11136	1.5
187.13313	1.4
187.14868	1.7
189.12741	1.6
191.03398	7.5
193.15965	4.0
199.14879	3.4
201.16434	3.6
203.14410	3.0
210.15021	1.9
215.07071	11.0
215.17995	1.4
217.15871	1.7
221.15343	7.2
231.10429	1.9
231.17589	1.5
232.09746	2.1
233.08153	3.1
235.17035	4.2
241.19649	4.7
256.07907	1.9
259.09607	13.3
259.20673	9.8
259.24173	2.5
276.72961	1.4
277.19064	7.0
277.21735	100.0
277.25253	9.1
278.22186	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	276.108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85502	1.7
52.84122	1.6
56.05008	1.7
56.96567	3.6
57.07088	1.7
60.04522	7.0
61.49650	1.5
67.05502	6.3
67.72026	1.6
69.03436	2.4
69.07078	2.7
70.06578	4.1
71.23739	3.5
72.93803	1.9
84.04512	2.2
84.08148	29.1
85.02896	2.7
85.06546	37.7
86.09716	7.0
87.00832	3.6
95.04975	2.7
95.97911	1.8
96.04469	2.0
102.09187	34.8
112.07605	14.7
116.98612	1.8
127.03968	2.0
130.08649	6.3
132.10205	3.0
144.10204	100.0
148.09700	5.9
159.09213	1.9
162.96968	1.8
164.02229	2.2
172.09729	5.2
186.11340	1.8
190.10770	27.7
198.07567	4.2
234.09830	3.5
239.14227	1.6
240.08733	1.9
248.76567	1.6
276.10840	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	277.0322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	10.7
56.96569	100.0
57.07053	12.5
60.97355	7.2
69.03426	13.6
69.55083	67.5
70.06594	16.1
70.98133	14.2
79.66043	8.2
81.07045	10.3
83.69225	6.8
83.81400	7.4
84.04508	8.7
84.08133	12.2
84.96067	8.5
85.02899	36.5
97.02885	23.5
98.06026	9.8
98.20776	18.6
98.97588	60.4
110.97484	12.1
116.98596	39.8
119.01894	22.5
127.03915	17.5
128.57182	7.1
128.98608	28.2
131.01842	8.7
133.03464	11.0
134.99660	16.8
145.01686	12.4
146.99655	32.9
161.02971	9.1
165.00737	21.6
174.99228	45.5
175.00635	10.4
176.08093	10.2
177.00682	19.2
177.04266	12.9
179.10486	9.0
193.00206	71.0
195.53944	43.5
217.00082	7.7
217.03677	10.2
219.01721	13.0
223.01273	18.1
223.04921	10.2
228.01802	11.3
235.01184	12.9
235.16879	25.0
237.02774	23.4
253.02402	8.6
277.03513	45.4
277.06110	16.8
277.18091	22.0
277.21539	8.7
295.06812	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	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
52.11115	1.9
54.42666	1.8
55.01870	4.0
55.05508	11.8
55.36873	2.0
57.07062	3.4
59.50040	1.7
67.05515	17.0
69.03422	2.2
69.07054	8.7
69.51331	1.8
69.55464	11.6
69.55878	4.1
71.04962	2.7
73.06536	2.3
79.05495	21.1
81.07053	20.4
83.04986	2.4
83.08630	5.0
85.06530	3.2
88.07637	2.1
91.05486	30.5
93.07040	21.0
95.05003	2.4
95.08611	16.2
97.06533	3.5
97.10157	3.7
105.06344	1.4
105.07028	43.6
107.04961	2.8
107.08593	17.7
107.40897	2.1
109.06507	3.0
109.10184	11.6
109.11265	2.0
111.08092	2.6
117.07018	8.6
119.08593	37.1
121.06569	3.2
121.10152	12.8
123.08070	5.0
129.06970	2.1
131.08560	14.3
133.10135	33.7
135.08061	4.9
135.11681	6.0
137.09634	3.6
143.08554	3.1
145.10106	17.9
147.11678	15.4
149.09615	15.5
151.11206	3.6
153.60443	2.0
155.66563	2.0
159.11684	13.9
161.13263	5.3
163.11172	5.7
165.12749	3.8
171.11745	4.9
173.09749	3.0
173.13281	5.7
175.11139	3.8
177.12756	2.3
183.11702	2.9
187.14899	2.8
191.14331	2.7
197.13283	2.7
215.17928	2.9
229.19528	6.4
239.17940	11.7
247.20724	2.6
257.19073	16.6
275.20078	100.0
275.23050	3.5
275.27768	7.8
276.20395	2.9
297.65573	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	275.2008
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03940	2.7
55.01873	9.9
55.05269	1.9
55.05513	28.0
57.03425	3.4
57.07072	3.1
59.04977	1.5
65.03945	1.4
67.05507	35.5
69.03414	2.1
69.06773	1.3
69.07071	13.4
70.06562	1.3
70.08361	1.3
70.17881	7.2
71.04971	4.2
71.08611	1.3
73.40845	1.4
79.05499	43.6
81.03387	3.0
81.07059	42.8
83.04976	4.3
83.08636	6.7
85.06541	2.8
88.07587	1.2
91.05484	45.9
93.06466	2.2
93.07045	33.9
95.04991	6.6
95.08601	16.0
97.06533	9.1
97.10163	4.4
98.74328	1.4
103.05488	2.7
105.07036	60.1
107.04294	1.9
107.04965	23.9
107.08605	24.4
109.06525	12.8
109.10178	13.5
109.18380	1.3
111.08053	2.9
113.05988	1.2
116.06217	1.4
117.07036	16.6
119.08583	37.1
121.06487	3.7
121.10163	15.4
123.08064	3.9
123.11703	4.0
125.09628	3.6
129.06995	3.4
131.08578	16.7
133.06433	1.7
133.10133	39.1
135.08049	7.0
135.11702	6.4
137.09627	2.9
143.08591	3.0
145.10136	18.4
147.08116	2.9
147.11697	19.3
149.09618	33.6
151.11240	2.6
153.06984	1.4
155.08568	1.8
157.10146	5.3
159.11705	12.2
161.09605	3.0
161.13257	5.5
163.11157	3.5
163.14775	1.3
165.12762	1.2
169.10150	2.2
171.11649	3.9
173.11931	1.3
173.13263	6.9
175.11189	2.7
175.14807	1.4
175.82680	1.2
177.12762	2.8
183.11685	1.8
187.11166	3.1
191.14247	1.9
193.12268	1.5
196.42456	1.3
197.13332	2.7
201.12750	2.6
213.16342	1.2
215.14340	1.6
215.17844	2.2
229.19487	6.0
239.17982	4.4
247.20573	3.6
257.18967	12.4
275.20078	100.0
275.27765	14.2
276.20398	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	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03944	1.3
55.01875	12.5
55.05512	17.1
57.03424	1.0
57.07088	1.2
65.03938	2.0
67.05503	21.5
69.03429	1.1
69.07070	14.8
70.27774	4.1
71.04992	3.4
79.05060	1.7
79.05495	21.6
80.42166	0.8
81.03403	2.3
81.07057	39.2
83.04979	2.5
83.08628	6.8
85.06518	1.5
89.20947	0.8
91.05482	46.4
91.43579	0.9
92.05839	1.2
93.07045	20.8
95.01315	1.7
95.04976	5.3
95.08607	14.9
97.06535	18.6
97.10168	3.1
103.05474	1.3
105.07031	85.9
107.04958	7.2
107.08590	13.8
109.06510	3.2
109.10175	5.9
111.08064	2.4
111.12534	1.1
115.05453	1.4
117.07024	11.3
119.08580	42.9
121.06521	3.2
121.10149	6.9
123.04473	0.9
123.08030	4.1
123.11728	2.1
124.58067	0.8
125.09609	2.1
129.06987	1.4
131.08577	16.3
132.09323	1.1
133.10130	47.4
134.10468	1.1
135.08064	3.6
135.11700	3.8
137.09636	2.3
143.08586	3.1
145.10124	13.4
146.10915	1.1
147.08075	1.3
147.11697	20.2
149.09616	9.7
149.13167	1.5
151.11189	2.5
152.11397	1.0
155.08560	1.7
157.10130	2.3
159.11710	8.1
161.09573	1.6
161.13297	4.6
163.11205	2.7
163.14723	1.0
165.09096	2.5
169.10042	1.7
171.11674	3.3
173.13284	3.6
175.11211	1.9
177.12700	2.1
179.14333	1.4
183.11758	2.6
187.11143	1.4
187.14825	1.2
197.13283	2.0
205.12265	1.0
213.16437	1.0
219.17442	3.1
229.16016	1.0
229.19405	1.8
239.17912	3.0
247.20648	2.6
257.18994	9.8
275.20071	100.0
275.27628	4.2
276.20422	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03939	1.2
55.01867	1.5
55.05514	11.7
55.14532	0.7
56.96564	0.9
57.07072	1.5
60.00055	0.6
67.05177	0.9
67.05509	13.9
69.06775	0.7
69.07076	7.3
69.07419	1.0
69.74210	2.8
69.74621	1.7
70.44105	0.6
71.04984	2.0
79.05498	12.9
80.32948	0.6
81.07063	17.4
83.04985	2.1
83.08630	4.8
85.02895	0.7
85.06513	1.5
88.07623	0.9
91.05486	39.3
93.06474	0.9
93.07047	13.8
95.04967	3.4
95.08614	10.9
97.06522	2.1
97.10155	2.9
98.21456	0.9
103.05469	1.2
105.07034	55.8
106.07344	1.0
107.04943	2.2
107.08595	10.3
109.06532	2.3
109.10147	4.4
111.08107	1.1
114.96692	0.7
117.07014	8.3
119.08590	28.5
121.06532	1.1
121.10152	6.3
123.08037	1.9
123.11717	1.9
125.09625	1.1
129.07004	2.5
131.08577	15.2
133.06491	0.8
133.10138	40.4
135.08051	2.5
135.11690	2.9
137.09615	1.0
139.11214	1.2
143.08554	2.6
145.10126	13.4
147.08072	1.2
147.11691	19.6
149.09634	5.0
149.13326	1.0
151.11256	0.9
155.08578	2.1
157.10138	2.8
159.11703	9.2
161.13315	4.5
163.11194	2.6
169.10123	1.4
171.11739	4.1
173.13298	5.6
175.11191	2.6
175.14815	0.9
177.12766	0.9
183.11691	3.6
185.13271	1.6
187.11226	0.9
189.12677	1.3
197.13271	2.7
201.12784	1.6
203.14317	1.0
215.14368	1.4
215.17876	0.9
219.13828	0.9
233.15445	1.1
239.17903	4.4
247.20665	0.9
257.19037	8.7
275.20078	100.0
275.27737	8.9
276.16028	0.7
276.20346	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2005
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.05493	9.0
57.07063	6.4
59.04994	2.4
60.20118	2.1
67.05504	12.2
67.63326	2.4
69.07061	8.4
70.06575	8.1
70.92035	6.6
71.04989	19.8
71.08627	2.6
78.06411	2.1
79.05497	12.5
81.07062	12.5
83.04965	7.1
83.08611	4.0
85.06561	12.3
85.34158	2.1
88.07621	9.7
89.07948	4.0
91.05464	17.0
93.07040	24.4
95.04948	4.4
95.08612	24.6
97.06496	3.7
105.07030	34.5
106.08656	3.9
107.08576	26.6
109.06532	18.1
109.10177	13.3
111.08085	26.2
117.07014	11.2
119.07921	3.0
119.08595	34.6
121.10142	33.8
123.08043	5.1
123.11697	5.9
128.06206	4.7
129.07005	6.5
130.75858	2.1
131.08575	31.2
133.10129	31.9
135.08034	26.9
135.11674	6.2
137.09602	12.7
142.07776	7.3
143.08549	19.4
144.09322	4.5
145.10129	28.3
147.11687	10.6
149.09595	4.9
155.08553	7.7
156.09343	5.0
157.10127	37.9
158.10936	12.8
159.11690	48.5
160.08911	3.7
161.09627	5.8
163.11151	5.2
169.10097	9.9
171.11641	16.7
173.09686	2.9
173.13263	74.6
174.13977	11.2
175.11188	8.6
175.14795	8.2
177.12758	11.9
183.11745	13.8
184.12436	5.4
187.11226	5.8
187.14816	9.2
189.12730	4.4
191.14238	10.3
192.15112	3.1
197.13210	9.8
199.14810	23.0
201.12787	14.0
211.14865	3.0
213.16362	10.1
214.17073	2.8
215.17937	5.3
217.15816	5.8
234.27029	3.3
237.36073	2.6
239.17914	12.4
246.38715	2.4
254.48123	2.5
257.18954	28.6
257.26788	5.2
258.19278	2.5
275.20093	43.7
275.27753	100.0
297.63562	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	275.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18131	0.5
56.96569	2.8
57.03414	0.6
63.98742	0.5
67.05488	0.8
69.03432	1.6
70.06589	1.3
71.04981	0.5
71.11590	1.1
71.11901	0.6
73.02901	0.9
73.88855	0.5
74.06046	0.6
79.42319	0.5
81.07079	0.7
84.04519	0.8
84.08131	2.3
85.02899	1.9
86.09668	1.1
97.02923	1.3
97.06523	0.9
98.97593	3.0
99.77081	0.6
104.33238	0.6
105.07023	0.9
107.08585	0.7
110.97607	0.6
112.07625	0.6
116.98629	1.8
119.01906	1.2
119.08587	0.7
125.07003	0.8
127.03934	0.8
128.98560	0.9
129.10234	0.8
130.08650	1.0
131.00140	0.5
131.01927	0.6
133.10133	0.7
134.99672	1.9
146.99698	1.3
149.01260	0.5
157.06435	0.6
158.99574	0.6
161.02994	0.9
165.00719	0.6
167.50902	0.7
177.00722	0.8
210.58051	2.3
237.02808	2.0
245.05037	0.6
275.11017	100.0
276.11288	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
53.03933	1.9
55.01857	3.4
55.05508	11.5
57.03441	11.8
57.07061	2.1
57.36086	0.9
60.32772	0.9
67.05170	1.5
67.05503	20.4
69.03431	1.6
69.07059	11.5
69.35455	3.8
69.35878	5.8
70.06595	1.2
71.04978	2.8
79.05490	23.7
81.03411	1.9
81.07058	32.1
83.04986	2.5
83.08631	5.5
83.69005	0.9
85.06510	2.4
91.05479	37.9
93.07046	21.4
95.04958	4.8
95.08598	17.0
97.06528	3.1
97.10176	2.3
98.21563	2.0
99.04484	1.7
103.05389	1.1
105.07028	47.5
107.04945	4.3
107.08586	17.9
109.06528	10.4
109.10155	9.7
111.08057	2.8
117.07021	12.8
118.07858	0.9
119.08585	35.0
121.06489	4.0
121.10141	11.0
123.08083	3.0
123.11725	1.9
125.09639	1.0
129.06987	3.9
131.08569	15.6
133.10130	31.2
135.08064	8.5
135.11702	5.7
137.09616	2.8
142.07791	1.7
143.08571	3.6
145.10112	14.0
147.08122	1.5
147.11697	18.1
149.09631	6.3
149.13255	2.4
154.02194	0.9
155.08545	1.1
157.10196	4.7
159.11676	12.0
161.13219	4.8
163.11143	2.4
163.14879	2.0
171.11696	3.1
173.13252	7.2
175.11234	2.1
175.14735	2.1
183.11707	2.5
185.13326	4.8
189.16336	1.7
191.14275	6.8
193.12151	1.7
197.13245	2.5
199.14908	1.9
201.12839	1.7
201.16400	4.2
203.14322	4.9
215.17975	2.2
219.17441	75.4
229.15926	1.1
229.19566	1.9
233.18941	2.0
239.17987	3.8
247.20609	1.5
257.19006	11.0
275.20065	100.0
275.27798	10.9
276.20416	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2006
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
55.01847	2.2
55.05511	10.6
57.03432	0.7
57.07050	1.1
59.04985	0.7
63.08311	0.6
67.05161	1.0
67.05500	11.0
69.03399	0.9
69.06726	0.6
69.07066	7.3
70.00632	3.6
70.06578	0.7
70.29332	0.6
70.92323	0.6
71.04975	1.6
76.30367	0.5
78.84557	0.6
79.05061	1.1
79.05489	11.6
81.03375	0.7
81.06652	0.9
81.07059	12.4
83.04954	2.0
83.08618	3.8
83.22066	0.5
85.06532	1.4
88.09743	0.6
91.05478	25.4
92.45577	0.7
93.06569	0.7
93.07051	10.1
95.04964	1.9
95.08603	7.4
97.06498	1.9
97.10149	2.0
99.08084	1.1
99.98990	0.6
105.07027	40.9
107.04926	2.5
107.08585	10.4
109.06495	3.0
109.10155	4.3
111.08101	1.1
117.07008	8.0
119.08577	25.4
121.06466	2.2
121.10116	3.9
123.08060	1.1
125.09644	0.8
129.06967	0.8
131.08565	10.6
133.10126	28.6
135.08049	2.4
135.11711	2.9
136.29655	0.6
137.09665	0.9
141.06958	0.8
143.08534	2.1
145.10121	13.3
147.07976	0.8
147.11685	21.1
149.09650	5.2
149.13197	0.7
157.10152	3.5
159.11688	7.9
161.09534	0.9
161.13283	4.3
163.11189	3.0
169.10146	1.6
171.11705	3.2
173.09550	0.7
173.13225	5.0
175.11177	1.7
177.12640	0.9
183.11719	2.9
185.13327	0.8
187.11186	1.4
187.14804	0.7
189.12779	0.9
197.13252	1.6
199.14754	1.4
201.12781	1.0
219.13809	1.0
229.19475	1.4
239.17949	4.1
247.20551	1.4
249.97461	0.7
257.16553	1.1
257.18991	10.7
271.11996	0.7
275.20053	100.0
275.27747	7.2
276.20346	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	275.2007
Annotation	(Z)-Octadec-12-ene-8,10-diynoic acid
Peak:m/z	Relative Intensity
54.31970	0.9
55.01892	1.2
55.05502	3.2
66.12473	1.2
67.05492	5.0
69.07067	11.0
70.85820	3.4
71.04984	3.7
76.23370	1.0
79.05470	2.8
80.60760	1.2
81.07039	5.0
83.08614	2.3
85.06539	4.1
88.40244	1.2
91.05448	5.3
93.07046	9.5
93.98020	1.2
95.04977	2.3
95.08609	10.1
97.06549	1.6
99.08067	1.8
105.07034	10.0
107.08603	8.7
109.06511	3.1
109.10149	6.7
109.31553	1.2
111.04441	1.3
111.08085	17.8
113.09645	5.8
117.07027	2.7
119.08590	12.6
119.13200	1.1
120.78154	1.1
121.06514	1.2
121.10161	7.1
122.07265	4.9
123.08085	13.7
123.11728	2.1
131.08556	11.1
133.10143	6.6
135.08047	25.8
135.11710	2.4
137.09616	2.7
139.11194	2.8
142.07693	1.1
143.08543	1.8
144.09357	1.4
145.10114	9.0
147.11742	7.5
148.08821	1.6
149.09598	3.3
156.09369	2.9
157.10132	4.4
159.11697	10.3
161.09631	3.4
161.13251	1.3
163.11188	3.8
165.12782	2.7
171.11713	17.8
173.13329	5.6
175.14888	1.9
176.11957	4.8
177.12737	1.6
181.12256	13.5
183.11722	2.0
184.12323	1.3
187.14894	1.5
189.12743	3.6
189.16313	1.5
191.14308	100.0
192.14732	2.4
197.13200	2.0
199.14810	9.5
205.12395	1.2
213.16521	1.8
215.14333	1.8
215.17908	5.1
217.15944	8.0
231.17497	1.2
239.18033	1.1
257.19028	11.6
275.20068	55.2
275.27835	2.5
276.20389	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	273.2576
Annotation	Trixagoene
Peak:m/z	Relative Intensity
50.31025	2.0
55.05516	15.8
57.07075	8.0
61.50648	1.5
63.80334	1.5
67.05499	20.6
69.07072	36.7
69.96428	9.4
70.58929	1.6
75.35759	1.7
78.76376	1.8
79.05486	12.6
81.07057	69.4
83.08624	15.3
91.05476	11.0
93.07050	40.1
94.20368	1.5
95.04981	2.0
95.08606	70.5
97.10152	5.3
105.07031	21.3
105.59499	1.7
107.08598	55.2
109.06382	1.9
109.10155	54.6
119.04932	5.4
119.08578	21.9
121.10139	49.3
121.11018	2.5
123.11702	44.9
131.08537	2.0
133.10127	15.1
135.11700	32.0
137.13240	10.3
145.10181	2.4
147.04407	18.3
147.11693	15.9
149.13260	48.3
151.14819	9.3
153.01833	36.9
156.04115	1.6
161.13249	25.3
163.14827	27.2
165.16380	2.2
171.02802	2.0
172.52014	1.5
175.14876	11.8
177.16411	19.3
189.16389	17.4
189.42368	1.6
191.17926	9.9
203.17952	15.8
217.19499	30.0
265.00882	1.7
273.07571	30.7
273.25766	100.0
274.07886	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	274.9751
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98643	0.6
56.96564	15.8
57.45281	0.4
57.97396	0.5
69.66711	2.7
71.95262	1.9
81.52376	0.4
98.21477	0.8
98.97581	100.0
116.98618	87.4
119.01921	4.7
130.93315	1.8
134.99657	48.9
137.02960	1.5
140.00195	2.8
142.03484	0.6
148.94449	0.5
153.00696	6.8
158.01282	2.1
169.03423	0.7
172.94351	3.4
177.00960	1.7
182.54863	0.4
187.04539	0.6
190.95404	6.0
197.95172	0.6
208.96468	3.4
214.95406	2.0
216.98752	0.8
219.02077	1.0
232.84276	0.4
232.96458	9.2
234.99820	1.6
240.49565	0.8
240.95364	0.7
246.90880	0.5
247.06625	0.6
248.95999	3.4
249.45985	0.7
249.96620	0.5
249.99338	3.6
250.97462	5.3
251.46323	1.4
251.96320	0.7
256.96457	15.2
257.96677	1.6
258.96362	2.9
260.46826	4.2
260.96796	2.1
261.03110	2.4
261.46674	0.7
261.50104	1.2
262.99966	0.4
271.97632	1.3
272.47821	0.6
274.97501	90.7
275.97968	1.2
276.97556	1.2
277.00626	0.5
283.00092	0.5
288.92093	0.6
289.72128	0.5
292.98538	74.3
293.98856	0.6
297.99152	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	275.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71435	0.4
56.57219	0.5
56.96297	0.8
56.96564	11.8
57.03428	0.6
58.06576	0.6
61.90789	0.6
69.03410	2.0
69.07067	0.6
69.60367	4.5
70.06580	2.1
70.98125	2.6
71.04987	0.8
71.95242	0.7
72.08152	2.5
73.02913	1.0
73.08494	0.6
74.97617	0.7
81.03397	0.9
84.04524	0.9
84.08123	2.7
84.96026	0.7
85.02895	2.7
88.99136	2.1
91.05470	0.9
93.07078	0.5
97.02865	1.6
98.21498	1.1
98.97585	6.6
101.00917	0.5
107.00194	1.0
108.04458	0.7
109.06497	0.5
113.64819	0.5
116.10732	0.7
116.98615	6.6
118.39932	0.5
119.00206	0.6
119.01925	1.5
119.08557	0.6
125.07109	3.3
127.03928	0.8
128.98610	1.8
129.10211	1.1
130.08649	0.6
130.85649	0.4
131.00131	0.5
131.01915	0.9
133.03435	0.7
134.99690	5.2
137.02963	1.1
137.05966	0.8
146.99651	2.6
147.04404	0.7
153.00693	1.3
155.01849	0.7
155.04623	0.6
158.01161	0.5
158.99614	0.6
161.02861	0.8
165.00705	2.7
170.99721	0.7
172.97600	1.3
174.99139	1.3
175.02757	0.7
177.00758	1.9
183.01787	0.6
189.00923	0.9
190.95396	0.6
190.98622	8.3
193.00189	2.1
194.03369	1.1
203.04024	1.0
205.00247	1.2
207.03496	0.7
208.04932	0.6
208.99727	3.5
211.52211	0.6
217.05482	1.1
218.98158	1.9
219.01776	0.6
223.01300	0.8
232.99680	4.7
233.03438	0.6
236.99152	0.8
237.02809	1.4
250.98387	0.5
251.00636	3.2
256.96576	0.6
257.11328	0.8
274.27286	0.8
274.97562	3.5
275.01483	1.8
275.11017	100.0
292.98608	3.4
293.05600	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0485
Annotation	Phenylbenzimidazolesulfonic acid
Peak:m/z	Relative Intensity
55.05490	0.3
60.13733	0.2
67.05499	0.4
69.07069	0.2
70.06559	0.4
71.58949	0.2
71.59374	0.3
74.06043	0.3
75.76337	0.2
79.05499	0.4
80.05017	0.5
81.03419	0.2
81.07051	0.4
84.08129	0.3
85.02901	0.2
85.06519	0.3
86.09703	0.6
91.05473	0.5
92.04934	0.3
93.07032	0.2
95.04961	0.3
95.08559	0.3
98.97559	0.6
105.07035	0.5
107.08582	0.4
108.04462	1.0
109.06537	0.2
113.07129	0.2
116.07110	0.2
116.98626	0.3
117.07029	0.2
119.08557	0.5
120.08117	0.3
121.06410	0.2
121.10146	0.4
123.08087	0.2
132.10181	0.2
133.10074	0.4
134.99663	0.4
145.10164	0.3
157.82074	0.2
173.13307	0.4
177.00615	0.3
177.01993	0.3
182.08409	0.5
193.07579	1.9
194.08388	14.0
195.09180	4.6
209.07112	0.4
210.07829	0.6
211.08662	3.2
214.08751	0.4
226.07365	14.2
253.07294	0.2
257.13046	0.4
274.27359	0.3
275.04837	100.0
276.05191	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	273.2213
Annotation	androstenone
Peak:m/z	Relative Intensity
52.75666	1.0
53.03949	1.8
55.05508	6.0
55.62912	1.1
55.86401	0.9
57.07068	2.4
67.05504	7.5
68.49820	1.2
69.07074	6.4
69.96264	6.4
71.04992	12.7
72.01579	1.0
79.05496	5.9
81.07056	30.9
83.08612	3.1
85.06528	3.2
91.05476	10.1
93.07050	20.5
95.04950	3.2
95.08601	22.0
97.06538	1.5
97.10151	2.4
97.82043	1.1
98.21369	1.4
99.26690	1.2
105.07029	28.1
107.04926	1.8
107.08589	21.4
109.06511	6.6
109.10149	10.5
111.08086	20.4
113.09657	7.5
117.07021	6.1
119.04950	2.3
119.08579	58.5
121.10136	17.5
122.42947	1.1
123.08070	1.2
123.11700	9.5
125.09600	1.2
129.06992	2.2
131.08553	13.1
133.10139	12.5
135.08006	1.2
135.11673	5.8
137.09561	1.3
137.13309	1.6
142.07811	2.3
143.08542	7.7
144.09367	1.9
145.09042	1.7
145.10121	24.4
147.04443	7.0
147.11691	12.1
149.09605	1.9
149.13248	6.7
151.11130	2.5
153.01834	16.3
155.08647	1.1
156.09319	1.6
157.10126	12.1
159.11694	50.2
160.12209	1.4
161.13272	12.8
163.11179	2.7
163.14835	4.1
171.11757	7.4
173.13254	15.1
175.14842	5.6
177.12759	6.7
179.14337	2.9
183.11598	1.3
185.13245	8.0
187.14796	5.7
189.16336	6.1
199.14842	15.3
203.14445	1.9
203.17889	2.6
213.16351	10.8
215.17953	71.9
216.18280	2.0
217.15762	2.6
227.17978	2.0
229.19496	8.4
231.17470	1.9
255.21082	56.4
256.21448	1.5
273.07541	13.6
273.18729	5.4
273.22116	100.0
274.22455	4.0
274.27368	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03939	1.0
55.01877	2.9
55.05512	7.9
57.03443	1.1
57.07056	0.5
65.03931	0.9
67.05505	9.3
69.03439	1.1
69.06781	0.5
69.07076	5.9
69.95637	2.0
71.04984	1.4
79.05494	7.6
81.03400	0.7
81.07064	7.3
83.04984	1.6
83.08621	3.1
85.06511	0.9
86.09510	0.5
91.05487	17.1
92.67014	0.4
93.03402	0.5
93.07053	7.0
95.04963	3.1
95.08607	6.2
97.06522	1.4
97.10168	2.1
103.05470	0.8
105.07034	14.9
107.04964	2.7
107.08602	4.9
109.06541	1.2
109.10155	3.0
111.08089	1.0
115.05481	1.7
116.06223	1.4
117.06212	1.0
117.07021	13.4
119.04963	2.4
119.08582	14.9
121.06497	2.4
121.10176	2.7
123.08047	1.5
123.11742	0.6
125.09605	1.2
126.69666	0.5
128.06238	1.9
129.07007	6.6
130.07793	1.8
131.05022	0.5
131.08571	26.5
132.05710	0.8
133.06468	3.9
133.10124	5.6
135.08081	3.1
135.11656	1.2
137.09616	1.1
141.06987	1.1
141.70035	0.5
142.07748	1.3
143.08569	8.8
144.09415	1.1
145.06493	2.1
145.10121	19.7
146.07245	0.9
147.04419	3.6
147.08054	9.6
147.11662	2.1
149.09631	2.7
153.01819	9.0
154.02196	0.6
155.08542	1.3
156.04265	0.6
157.06496	0.5
157.10127	7.0
159.08084	3.7
159.11699	6.4
161.09644	7.3
161.13280	0.9
163.11224	1.7
165.07079	0.5
167.08513	0.8
169.10109	1.9
171.08134	0.5
171.11690	4.3
173.09627	3.0
173.13251	1.5
175.11229	5.2
177.09192	1.1
177.12801	0.7
181.10120	1.4
185.09662	1.0
185.13289	1.6
187.11206	1.7
189.12778	1.4
195.11720	1.8
199.11224	2.9
199.14816	0.7
201.12813	0.7
203.10670	1.1
205.12193	0.6
209.13257	0.8
211.14896	0.7
213.12788	1.2
213.16350	1.1
221.57973	0.5
226.00629	0.5
227.14406	0.6
227.17931	3.8
231.17487	0.8
237.16406	2.5
243.17732	0.5
245.19017	1.8
255.17468	8.2
264.16086	0.5
273.07608	9.0
273.18503	100.0
273.29849	1.6
274.07724	0.8
274.18906	1.1
274.27087	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1849
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
51.05218	3.2
55.05499	14.4
56.96563	6.2
57.07076	4.6
57.89833	3.1
67.05493	13.4
69.07055	16.3
71.04998	5.1
79.05482	11.6
81.07055	18.0
82.59016	3.1
83.04987	9.0
83.08624	7.5
85.06499	5.0
91.05490	20.0
93.07046	21.3
95.04957	14.1
95.08611	13.6
97.10210	4.0
98.20732	9.3
98.97559	4.2
105.07050	24.9
106.40697	3.5
107.08601	18.8
109.06509	15.3
109.10133	14.2
111.04454	4.0
113.39445	4.0
115.05498	3.7
117.07032	9.5
119.04951	13.1
119.08607	21.9
121.02859	5.6
121.06495	4.0
121.10130	10.4
123.04406	5.8
123.08051	11.0
123.11696	5.4
129.07019	9.6
131.08548	16.5
133.10121	15.5
134.99693	4.3
135.08054	15.8
135.11676	7.0
137.09637	4.8
142.07809	5.2
143.08574	8.6
145.10109	26.0
147.04408	35.4
147.08023	7.7
147.11659	11.8
149.13277	4.4
153.01842	68.4
156.09261	5.1
157.10117	20.2
158.10960	3.9
159.08147	4.2
159.11711	11.0
161.09615	8.8
161.13307	5.0
167.08649	4.1
169.10121	8.5
171.02872	5.5
171.11705	17.5
173.09644	9.3
173.13258	15.0
175.11176	7.5
177.12746	5.4
181.10120	4.3
185.13199	7.9
186.02441	3.5
187.11243	8.0
187.14801	3.3
189.12778	9.7
197.13260	10.0
199.11168	7.5
200.98666	3.7
206.37175	3.8
211.14752	5.1
213.12790	3.6
213.16420	11.9
215.14232	19.2
217.12274	5.5
229.23338	4.1
229.25505	4.3
231.17419	7.5
237.16461	6.1
245.18825	4.7
255.17445	25.0
273.07581	58.4
273.12250	4.1
273.15454	7.5
273.18521	100.0
273.21637	6.6
273.25974	12.7
274.07935	4.6
282.15585	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	273.1848
Annotation	Octadeca-8,10,12-triynoic acid
Peak:m/z	Relative Intensity
53.03938	1.6
55.01865	2.6
55.05515	6.6
56.96556	2.3
57.03429	1.4
57.07071	1.8
65.03931	1.3
67.05505	12.0
69.03417	2.0
69.07063	11.2
71.04979	1.6
71.59412	0.8
71.59865	0.9
79.05499	10.1
81.03403	2.4
81.07056	13.0
83.05005	3.2
83.08618	2.9
85.02876	1.2
85.06529	2.0
91.04904	0.7
91.05478	13.5
91.27626	0.7
93.07045	11.4
95.04971	13.2
95.08604	8.0
97.06516	1.9
97.10146	1.3
98.97581	1.5
103.05515	0.9
105.07027	15.4
107.04947	3.1
107.08583	9.0
109.06524	17.4
109.10146	6.8
111.04403	0.8
111.08076	1.5
111.11720	1.5
113.05991	0.7
115.05415	1.6
116.98581	1.6
117.07012	8.8
119.01871	0.9
119.04945	2.6
119.08585	15.9
121.06487	2.5
121.10133	5.0
123.08067	14.7
123.11674	2.4
125.09681	1.3
128.06229	1.5
129.07008	6.0
130.07765	2.2
131.08572	16.4
133.06520	3.7
133.10132	9.2
135.08057	8.8
135.11702	1.3
137.09612	2.9
141.07021	1.6
142.07729	3.7
143.08560	7.4
144.09323	1.2
145.06529	1.1
145.10115	19.8
147.04381	5.9
147.08032	9.4
147.11691	6.0
149.05928	0.7
149.09590	3.7
149.13251	1.0
151.07552	1.2
151.11157	2.1
152.06171	0.7
153.01826	14.5
153.06963	0.8
155.08540	2.8
156.09334	4.3
157.10124	11.8
157.11310	1.1
158.10902	2.5
159.08043	4.3
159.11673	6.9
161.09604	5.6
161.13239	1.8
163.07588	0.9
163.11177	2.5
163.14815	0.8
167.08513	0.9
169.10101	3.4
170.10904	1.4
171.03014	0.7
171.08138	1.3
171.11696	9.6
172.12468	0.8
173.09624	6.2
173.13269	8.5
174.10454	1.8
175.11182	9.8
177.00671	1.7
177.09186	1.5
177.12721	1.6
181.10167	2.1
182.10880	1.7
183.11699	2.1
185.09613	1.8
185.13327	3.8
187.11168	4.1
187.14806	1.6
189.12733	5.8
191.14313	1.5
192.09048	1.2
195.11713	3.1
197.09886	0.8
197.13268	4.2
199.11191	8.0
199.14815	0.9
201.12726	0.8
203.14319	1.3
207.11603	0.7
211.14822	1.5
213.12843	3.5
213.16370	6.1
214.13527	1.3
215.14287	7.9
217.12238	8.7
222.14000	1.1
227.14391	1.3
227.17921	2.6
231.13870	1.3
231.17459	2.8
237.16371	2.7
240.15062	1.2
243.13850	1.3
245.18973	3.2
251.11259	0.8
255.17461	21.8
273.07544	12.2
273.18494	100.0
274.18652	0.9
290.05978	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
53.32715	1.6
55.01867	11.3
55.05512	24.8
56.96561	4.1
57.03445	2.9
57.07073	23.4
59.04988	5.8
59.36158	2.1
61.02913	7.2
67.05505	20.6
69.03424	2.7
69.07064	36.3
69.15244	1.9
69.97700	4.7
69.98135	6.7
71.04991	3.2
71.08633	11.6
73.02909	22.6
73.06545	4.4
79.05479	9.8
81.03396	2.0
81.07055	63.4
83.04975	4.5
83.08615	17.9
85.02911	2.6
85.06542	75.7
90.64706	1.9
91.05460	9.0
93.07035	24.8
95.04964	2.5
95.08604	66.5
97.06544	2.8
97.10172	21.1
98.97550	6.2
99.08085	16.2
101.02380	100.0
105.07034	19.8
107.04973	2.1
107.08586	26.6
109.10156	22.9
111.11687	6.1
116.98607	6.1
117.06992	3.1
117.09065	2.3
119.01924	2.3
119.03410	7.8
119.04948	5.2
119.08585	17.6
121.06474	1.9
121.10148	20.1
122.09675	9.8
123.11691	11.8
127.03911	2.2
129.07028	3.5
129.12738	5.1
131.08578	7.3
133.10097	11.2
134.99680	3.2
135.08029	5.1
135.11693	11.0
137.12192	2.3
137.13245	42.5
143.08546	4.7
145.10114	9.4
147.04399	15.2
147.11693	8.5
149.13248	18.4
151.07578	2.8
153.01814	24.9
153.07027	2.3
155.14299	69.0
157.10109	7.0
158.99754	2.1
159.11678	3.5
161.13263	9.1
163.14828	15.6
171.11650	3.2
173.09650	2.3
175.14847	4.1
177.00603	2.5
177.09145	1.8
177.12881	2.4
177.16379	6.7
185.13312	2.7
189.16347	4.5
191.17963	4.2
197.13254	2.2
199.11122	2.1
203.17953	5.4
211.15016	1.9
215.67793	2.1
217.19513	4.9
227.06963	2.9
229.01096	2.0
254.81215	2.4
255.14937	2.8
255.17471	4.3
255.21100	2.6
264.15234	5.1
264.65240	2.5
273.07504	24.4
273.10703	4.0
273.15427	6.8
273.18445	9.3
273.22104	6.8
273.25729	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1123
Annotation	Eulophiol
Peak:m/z	Relative Intensity
55.05518	11.5
56.96563	16.4
69.03413	13.3
69.43271	43.5
70.06584	15.6
71.05014	6.6
72.08162	15.2
78.40766	6.4
79.05476	9.2
81.03423	6.3
81.07043	10.5
83.05000	18.3
84.08160	12.2
85.02899	22.1
85.77637	5.2
86.09715	14.2
91.05479	25.0
95.04974	18.1
95.08629	10.7
97.02908	11.7
98.97569	11.1
105.07052	6.8
107.04973	8.5
111.04427	11.4
116.98650	16.3
119.04939	20.5
121.06502	23.1
123.04425	8.8
127.03923	15.4
129.10254	6.3
130.12273	11.0
131.04956	6.5
133.49049	5.4
137.05977	14.3
146.99603	5.8
147.04416	55.3
149.05983	56.6
151.07579	34.4
152.06198	13.1
153.01840	94.0
153.07001	71.7
162.28014	6.0
163.07532	6.9
167.08598	7.4
169.06549	6.5
174.08908	7.8
179.07133	6.3
181.06491	100.0
182.07275	9.3
195.08139	10.4
197.06097	8.1
198.06799	14.8
199.07578	8.4
209.06020	14.7
213.09149	64.4
222.08444	5.5
227.10710	6.6
241.08580	57.0
246.05077	9.5
273.07593	83.5
273.11264	58.2
273.15488	6.5
273.18652	5.9
273.22247	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	273.0759
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
55.01861	0.4
55.05486	0.5
56.96537	0.4
67.01869	5.6
67.05465	0.9
68.99800	2.6
69.03438	1.6
69.07047	0.6
69.41236	2.1
69.41659	0.8
70.06576	0.8
71.04983	0.4
72.08115	0.4
79.05478	0.4
81.03383	0.3
81.07028	1.3
83.01328	0.6
83.04916	0.3
83.08593	0.4
85.02878	0.9
86.09679	1.4
91.05484	5.0
92.99702	0.4
93.07014	1.1
95.04966	2.1
95.08586	0.9
97.02889	1.2
97.06490	0.3
98.21538	0.5
99.08110	0.3
105.07058	0.7
107.04957	2.0
107.08585	1.0
109.06442	0.4
109.10143	0.9
111.00816	0.7
119.04945	14.6
119.08578	0.8
120.05264	0.5
121.02872	0.8
121.06516	1.7
121.10099	0.8
123.04438	3.5
123.08078	0.3
125.02408	0.4
125.05969	0.3
127.03824	0.4
129.01813	0.4
129.07005	0.4
131.08578	0.6
133.10114	0.6
135.11673	0.7
143.08546	0.5
145.10135	0.7
147.04414	37.5
147.11655	0.6
148.04713	0.7
151.07549	0.5
153.01831	100.0
154.02133	1.8
155.02403	0.5
157.10168	0.7
158.05991	0.5
159.11700	0.3
163.11176	0.3
169.10004	0.4
171.02895	26.0
173.73332	0.3
175.08669	0.4
179.03432	1.1
181.06509	0.6
185.13284	0.5
187.14851	0.5
189.05496	1.0
213.16467	0.4
231.06543	1.1
243.11310	0.8
247.38351	0.3
255.06676	0.5
255.17534	0.6
273.07590	85.3
273.18616	2.0
273.22235	1.1
274.07901	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	271.1692
Annotation	9,9'-Diapo-10,9'-retro-carotene-9,9'-dione
Peak:m/z	Relative Intensity
53.29687	1.1
55.05502	2.3
57.03420	1.5
57.07064	1.2
57.64819	0.9
62.67951	0.9
63.76356	1.0
65.03928	0.9
67.01836	1.3
67.05508	5.6
69.07056	3.6
70.58905	3.0
71.04974	2.3
73.12503	0.8
79.05492	3.2
81.07067	7.2
83.08619	1.5
85.06504	1.1
91.05491	8.3
93.07042	5.8
95.04982	1.0
95.08609	6.6
105.07017	6.4
107.08588	3.6
109.06523	8.8
109.10154	3.1
111.08080	1.0
111.84093	0.9
117.07031	2.4
119.04964	5.3
119.08549	4.7
121.02837	1.0
121.06503	1.6
121.10151	1.8
123.08080	1.8
123.11660	1.1
128.06215	1.5
129.06949	2.0
131.08568	4.2
133.10098	2.8
135.08051	4.8
137.09639	1.7
142.07780	1.1
142.86382	0.9
143.08571	4.6
145.02795	1.4
145.06468	2.7
145.10136	4.7
147.08047	3.5
147.11703	1.1
149.09650	1.4
151.11272	1.2
153.01851	7.1
155.08559	3.4
156.09241	1.1
157.10133	3.5
159.08037	3.4
159.11664	1.7
161.09573	2.4
163.03775	1.4
165.07034	1.8
167.75664	1.0
169.10135	2.3
171.02866	1.7
171.08139	1.3
171.11742	4.6
173.09648	1.3
181.10165	1.0
183.11757	1.8
185.09584	1.5
185.13316	1.7
187.11223	2.0
189.09030	1.0
191.78426	0.9
193.10135	1.1
195.11697	4.2
196.12497	1.8
197.09572	1.2
199.11076	1.0
201.12714	1.0
201.99118	1.0
211.14722	2.2
213.12772	4.9
229.15755	1.5
241.95363	1.1
243.17372	1.6
253.15863	4.5
271.06015	100.0
271.16934	16.2
271.20441	3.1
272.06430	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	271.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31157	0.3
54.70640	0.3
55.05507	1.0
57.03414	0.4
57.07063	0.3
58.06599	0.7
60.04521	0.3
62.18878	0.3
67.05502	1.3
69.03429	0.4
69.07072	3.1
70.06590	45.5
71.04987	0.8
71.58960	0.5
71.72713	0.4
79.05490	1.6
81.07033	2.0
83.04956	0.5
83.08604	0.5
85.06505	0.4
86.09705	27.2
91.05482	1.6
93.07047	1.2
95.04974	0.4
95.08609	1.3
96.08134	0.6
97.06505	0.4
99.08098	0.3
105.07050	0.8
107.04954	1.2
107.08587	0.8
109.06517	0.4
109.10169	0.9
116.07088	100.0
117.07428	0.7
118.06550	3.8
119.04959	1.7
119.07338	0.4
119.08547	0.5
121.06499	0.3
121.10135	0.7
122.06007	0.3
124.07594	2.4
128.10716	17.7
131.04912	0.6
133.06512	0.4
133.10114	0.5
139.07509	0.4
143.08595	0.4
145.10088	0.4
146.06027	1.8
147.06802	1.2
147.11678	0.5
148.07570	2.7
149.09555	0.3
153.01854	2.0
153.06914	0.7
156.10211	3.3
159.11642	0.6
161.13232	0.4
165.07002	1.1
169.10086	0.4
183.08084	0.6
211.07545	0.5
211.14810	0.4
211.18025	2.7
225.09105	0.5
239.03381	1.4
243.15012	0.7
253.08830	0.4
271.06033	21.6
271.10397	3.2
271.14352	1.5
271.17075	0.7
271.20236	4.2
271.23337	0.5
272.06335	1.6
289.15414	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	271.1442
Annotation	(+)-Quinolactacin A2
Peak:m/z	Relative Intensity
50.53183	0.7
55.05502	1.3
67.01859	1.1
67.05495	2.6
69.07082	1.5
70.29953	3.4
71.04951	0.9
79.05465	1.2
79.84368	0.7
81.07046	3.4
83.08608	1.0
91.05481	2.0
93.05812	0.9
93.07050	1.3
94.06575	1.0
95.04963	1.0
95.08624	3.2
96.08134	1.6
97.10168	0.7
105.07009	1.9
106.06576	1.3
107.08572	1.7
108.08104	5.2
109.10135	2.3
119.04950	3.1
119.07278	0.7
119.08568	1.9
121.02872	1.1
121.10186	0.9
124.07615	0.8
128.06181	0.7
129.07014	0.8
133.10144	2.1
136.07626	0.9
143.08522	1.0
144.08104	1.2
145.02824	1.0
145.10086	0.9
148.07590	0.7
153.01817	5.0
154.06604	0.7
155.08670	0.9
157.10175	1.9
158.05966	1.0
158.09682	1.0
159.08041	1.4
159.09209	1.0
159.11742	1.0
168.08096	4.4
169.08850	3.4
169.10133	0.8
170.09674	0.9
171.02855	1.1
172.07570	0.8
181.10129	1.0
182.09639	2.6
183.08029	0.9
183.10397	7.2
183.11757	1.0
185.10788	1.4
186.09195	1.0
186.11494	1.6
196.07587	2.4
197.08351	5.4
198.09195	0.8
198.12778	7.6
199.08609	5.5
199.12393	1.2
211.09929	8.3
212.09502	1.6
213.10251	8.5
214.10907	3.6
215.15520	3.4
225.13907	1.6
226.12276	20.4
227.08318	1.1
227.11781	21.0
228.12578	21.9
240.08783	0.8
241.09724	2.2
241.13293	0.9
242.10599	1.1
242.14099	0.7
243.14961	18.5
246.09616	0.8
253.13339	2.7
253.15794	1.0
254.11804	1.6
255.11302	32.3
256.12067	37.4
269.12897	1.2
271.06030	64.7
271.14410	100.0
271.20288	3.2
271.24228	2.3
272.06244	1.2
272.14883	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	271.0601
Annotation	Apigenin
Peak:m/z	Relative Intensity
53.78936	0.3
64.41521	0.3
64.85858	0.3
67.01864	1.1
68.99787	1.0
69.07068	0.5
69.15644	0.3
69.31721	1.5
69.32151	1.7
71.55035	0.4
81.07053	0.5
91.05473	1.4
95.08594	0.3
97.06605	0.3
119.04943	4.3
121.02882	0.9
124.29173	0.3
129.01851	0.3
138.11320	0.3
141.07010	0.3
145.02856	1.2
146.49203	0.3
153.00575	0.5
153.01831	9.5
163.03929	1.1
171.02899	1.1
187.03992	0.4
197.74576	0.3
206.41940	0.3
225.05518	0.5
243.06416	0.3
271.06012	100.0
271.24161	0.5
272.06351	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	271.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92947	2.5
55.01873	5.2
55.05506	8.8
56.96294	5.2
56.96568	100.0
57.03442	16.3
57.07075	4.6
58.96223	2.6
60.58660	2.9
61.02928	17.6
67.05493	7.8
69.03436	26.0
69.07065	6.5
69.96013	17.9
70.06581	8.4
70.98131	5.9
71.04971	7.4
72.08147	5.7
73.02914	26.2
73.06542	7.4
76.47100	2.9
81.03410	11.4
81.07056	6.1
83.04958	5.6
83.08601	4.6
84.08134	4.4
84.96029	8.9
85.02914	55.0
85.06554	4.5
86.09702	8.4
87.04469	4.4
88.99133	3.5
91.03963	5.6
93.83372	2.6
95.08617	8.1
97.02888	29.9
97.06547	4.2
98.01289	4.4
98.97588	72.8
99.04442	12.0
104.01258	3.2
105.02062	2.9
106.93362	3.0
109.02839	6.7
109.10169	3.7
110.01292	6.4
110.06047	31.6
110.07176	3.8
110.97596	7.4
111.04467	3.2
112.05017	3.4
116.98618	77.2
117.01900	4.7
118.01010	3.8
119.01837	20.5
121.10155	3.1
127.03923	19.9
128.02315	33.5
128.98602	11.3
129.03969	4.0
131.01839	5.0
132.47513	2.9
133.01691	5.9
133.03433	4.9
134.01239	5.0
134.99658	60.0
137.02776	4.0
137.06036	2.7
138.05473	8.5
139.04131	6.0
139.05954	8.7
139.53098	2.9
140.02357	3.8
141.01271	3.8
143.00140	10.2
144.97954	3.7
145.01736	4.3
145.04994	7.7
146.02330	3.1
146.99660	18.2
147.03281	5.3
148.03816	3.2
149.01196	3.7
150.01794	10.7
153.00682	13.0
153.01801	3.8
153.05728	4.3
154.03822	7.8
154.94151	4.6
155.02846	7.6
155.04645	11.1
158.01245	4.7
158.04892	5.4
158.99663	9.8
159.03123	7.2
159.04922	3.3
160.06439	5.1
161.01225	20.4
161.02942	8.1
161.04588	6.6
161.06631	4.8
162.03497	3.4
162.06377	4.8
162.99191	3.8
163.02780	6.3
163.04378	6.8
164.07077	6.4
165.00740	8.1
165.04408	3.4
168.03621	40.6
168.05327	6.8
168.53773	7.5
169.02632	4.2
169.04337	2.8
170.05136	11.1
172.95236	12.4
172.97551	4.8
173.01247	4.2
174.99181	7.1
175.02716	7.4
175.04399	6.7
177.00706	12.1
177.04176	31.3
177.05965	9.1
178.07486	4.3
179.02319	4.2
181.05127	7.3
182.03381	4.8
184.04906	7.2
188.06033	4.7
188.54973	7.8
189.00653	6.8
189.02596	2.5
189.04309	13.4
190.03107	28.3
190.98570	5.8
191.02289	3.6
191.03857	8.6
191.05589	4.1
193.00223	17.0
194.09251	7.1
199.03584	15.4
202.04050	3.4
203.06010	3.3
204.02831	20.4
205.00272	7.1
205.03712	3.0
206.07048	8.6
207.01634	4.3
207.05400	11.3
211.03603	6.0
213.03429	26.0
219.01689	13.5
221.03152	3.6
221.05153	4.1
223.01289	11.6
224.07996	15.8
224.54317	5.9
226.05949	3.1
227.06821	4.3
230.07053	27.3
237.02783	23.5
244.97206	4.0
248.08080	91.5
248.99167	7.2
266.09140	9.1
267.00284	6.9
271.06003	45.4
271.09558	7.9
271.13852	10.3
271.16837	9.8
271.26358	3.3
272.06320	5.0
287.00705	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0589
Annotation	Apigenin
Peak:m/z	Relative Intensity
57.36327	0.1
61.02023	0.1
65.03933	0.2
67.01532	0.1
67.01865	1.6
68.99780	0.9
70.64037	0.2
81.68678	0.1
86.85596	0.1
91.05478	1.4
94.09869	0.1
95.04960	0.1
97.02902	0.1
111.00802	0.2
111.19434	0.1
119.04938	5.5
121.02869	1.6
124.07628	0.1
125.02358	0.2
129.01837	0.4
131.04932	0.1
141.06969	0.2
145.02834	1.5
145.06494	0.1
153.01822	11.6
157.06477	0.1
163.03918	1.0
169.06451	0.3
171.02879	1.3
172.75948	0.1
187.03954	0.4
197.05975	0.2
203.06981	0.3
211.03894	0.2
215.07150	0.1
225.05409	0.7
229.04926	0.6
236.35068	0.1
243.06470	0.8
247.06143	0.3
253.04971	0.2
254.05579	0.1
271.05997	100.0
272.06326	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	271.0596
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	0.1
65.03954	0.1
67.01523	0.1
67.01868	1.3
67.05505	0.1
68.99789	0.8
69.03416	0.1
69.07063	0.1
70.86250	0.1
70.86580	0.1
71.04997	0.1
75.27073	0.0
81.03431	0.1
81.07063	0.1
85.02943	0.1
91.05481	1.3
93.07031	0.1
95.04989	0.1
95.08617	0.1
96.08133	0.1
97.02919	0.1
98.21403	0.1
105.07035	0.1
109.02830	0.1
109.10172	0.1
111.00829	0.1
111.04414	0.1
118.06555	0.2
119.04951	4.5
119.08578	0.1
121.02869	1.2
124.07597	1.1
125.02383	0.1
127.03908	0.1
129.01852	0.4
131.04948	0.1
133.10133	0.1
135.00819	0.0
141.06976	0.2
145.02837	1.2
146.06012	0.1
147.06799	0.1
148.07567	0.8
153.01836	9.3
154.02158	0.1
155.04930	0.1
163.03923	0.9
168.05693	0.1
169.06525	0.2
171.02896	1.2
173.05960	0.1
174.35275	0.1
185.05988	0.1
187.03874	0.3
197.06091	0.2
202.06485	0.1
203.07062	0.2
211.04042	0.1
225.05447	0.5
229.04991	0.5
243.06519	0.8
247.06026	0.2
253.04999	0.1
271.06018	100.0
272.06335	1.6
289.15442	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	270.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72697	2.1
55.01877	3.7
56.96565	7.6
57.03436	4.3
59.04989	5.4
61.02919	3.0
67.05463	3.7
69.03425	9.9
69.07066	4.3
70.06592	5.9
70.94952	6.7
71.43581	2.0
73.02929	2.7
73.06557	100.0
73.06969	5.2
75.04493	5.1
81.03422	3.3
81.07069	4.0
84.08102	2.4
85.02895	22.2
85.80049	2.4
86.09718	3.2
87.04464	9.5
91.07614	16.0
95.04983	2.2
95.08572	3.2
97.02878	8.2
98.97609	5.0
103.03938	5.5
107.04920	2.8
109.02890	2.9
110.07145	3.9
116.98602	6.5
119.01914	3.3
120.08116	3.4
127.03896	4.9
128.98630	2.3
131.03397	4.9
134.99669	3.4
145.04892	5.3
161.03177	2.7
161.04445	9.2
164.36658	2.6
200.08911	2.6
217.03447	28.3
224.10750	2.8
235.04463	8.5
238.52940	2.3
245.20311	2.4
270.27902	5.5
271.05920	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0591
Annotation	Unknow
Peak:m/z	Relative Intensity
60.64030	0.0
65.03935	0.1
66.86819	0.0
67.01865	1.3
68.99448	0.0
68.99783	0.8
69.03435	0.1
69.49148	0.2
69.49584	0.1
72.62341	0.0
81.03403	0.0
83.01336	0.0
85.02895	0.1
91.05482	1.3
95.04968	0.1
98.20792	0.1
109.02894	0.0
111.00774	0.1
115.05460	0.1
119.04941	4.9
121.02867	1.4
125.02364	0.1
127.03903	0.1
129.01825	0.3
129.11983	0.0
131.04944	0.1
141.06995	0.1
143.03378	0.0
145.02840	1.3
147.04321	0.0
148.32823	0.0
153.01826	9.8
154.02184	0.0
155.04909	0.1
157.06464	0.1
161.05951	0.1
163.03891	0.8
169.06519	0.2
171.02888	1.1
173.05969	0.1
185.05981	0.1
187.03918	0.4
187.07695	0.0
197.05948	0.3
201.05504	0.0
202.06305	0.0
203.07091	0.2
211.03857	0.1
215.07083	0.1
225.05434	0.6
229.04980	0.5
242.05939	0.1
243.06497	0.8
247.06140	0.2
253.04956	0.2
254.05786	0.1
270.05338	0.1
271.06000	100.0
272.06320	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	270.0819
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	26.5
57.03424	9.0
59.04991	13.9
61.02918	10.3
67.05487	9.1
69.03422	24.6
69.07054	12.0
70.06567	9.8
71.04962	10.1
71.58907	16.6
71.59299	10.7
71.92683	9.3
73.06561	100.0
75.04457	10.4
77.02224	8.2
84.08134	10.0
85.02921	51.1
87.04456	39.3
91.07597	47.8
93.07043	11.1
95.08601	11.2
97.02891	19.6
98.97572	12.3
103.03945	15.1
116.98602	17.4
120.14091	8.1
127.03928	11.3
131.03391	13.6
134.99644	13.7
143.30609	10.7
147.05670	8.9
157.40308	9.1
161.04469	44.4
161.10799	8.3
217.03433	99.6
235.04507	52.6
237.02837	10.6
270.27997	10.8
271.06003	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	269.1901
Annotation	4-[1-Ethyl-2-(4-methylphenyl)butyl]phenol
Peak:m/z	Relative Intensity
55.05511	21.7
57.03438	10.2
57.07082	6.5
60.06136	4.8
63.16364	4.7
67.05506	56.1
69.03440	7.7
69.07089	23.9
71.04983	12.0
71.08636	7.4
71.59894	8.2
79.05499	37.9
81.07067	54.0
83.04990	10.1
83.08623	15.0
91.05477	35.3
93.07052	56.4
93.16077	5.0
95.04976	26.1
95.08614	52.2
97.06540	18.5
105.07035	56.3
107.08588	41.0
109.06532	14.5
109.10174	18.1
111.08094	13.9
112.89650	5.1
117.06998	13.7
119.08575	67.2
120.94865	4.9
121.06496	5.5
121.10159	26.2
123.08067	22.3
123.11714	5.1
128.06212	5.7
129.07018	15.3
130.07816	10.0
131.08583	41.7
133.06456	7.4
133.10109	44.6
135.08078	17.4
135.11740	12.2
141.07007	6.7
142.07797	17.1
143.08556	33.7
144.09309	6.0
145.10118	50.5
145.39731	4.9
147.08081	12.0
147.11699	17.0
149.09659	6.5
149.13246	8.6
155.08586	19.3
156.09351	13.3
157.10124	33.7
158.10893	9.7
159.11662	27.0
161.09657	9.5
161.13264	5.6
169.10168	12.9
170.10907	18.6
171.11699	56.1
172.12517	6.4
173.13263	41.7
175.11140	6.1
179.08685	6.5
181.10098	11.8
183.11731	19.8
185.13278	58.3
186.13847	8.5
187.11319	8.0
187.14827	15.6
193.10059	5.7
195.11673	15.1
195.13658	4.9
197.13289	8.8
199.11304	11.3
199.14835	17.3
201.12831	5.5
209.13258	14.8
209.44980	6.1
211.11069	7.2
211.14859	19.9
213.12749	24.7
213.16476	6.1
223.14752	6.3
225.16327	10.2
227.14240	6.4
241.19537	18.9
251.17981	12.0
269.15320	12.0
269.19037	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	269.1745
Annotation	[3S-[3lphaa,4beta,5beta,7beta(1R*,4S*)]]-7-(4-Hydroxy-1,4-dimethyl-2-cyclohexen-1-yl)-7-methyl-1-oxaspiro[2.4]heptane-4,5-diol
Peak:m/z	Relative Intensity
52.17978	1.8
53.03938	3.8
55.01862	4.9
55.05270	1.8
55.05512	23.8
56.96555	2.9
57.03443	25.1
57.07058	5.1
65.03925	2.2
67.05504	76.7
69.03403	4.5
69.07072	28.7
69.94070	11.0
70.06572	3.2
71.04984	10.4
73.02895	2.8
79.05066	3.5
79.05496	46.2
81.03416	2.7
81.07059	100.0
83.04986	10.9
83.08624	22.4
85.02881	2.2
85.06554	9.7
86.09678	5.6
87.72974	1.9
91.05483	33.4
93.07047	77.6
94.06528	3.9
95.04971	13.1
95.08067	2.9
95.08614	37.3
97.02882	4.0
97.06527	18.8
97.10129	3.3
99.08083	6.2
105.07025	23.3
107.08592	44.3
109.06499	8.0
109.10168	10.8
111.08067	11.1
117.07027	14.6
119.04974	4.2
119.08569	10.5
121.02835	2.3
121.06496	3.7
121.10142	19.5
122.06042	4.9
123.00783	5.0
123.04456	1.9
123.07997	4.7
123.11733	9.6
125.09602	3.0
129.05453	3.0
129.06996	3.3
131.08565	15.8
133.10135	25.8
134.08920	2.1
135.08025	7.6
135.11708	19.8
137.09586	3.6
143.07007	2.2
145.10115	5.8
147.11653	4.1
148.07507	3.9
149.09593	4.2
149.12190	2.8
149.13271	42.5
151.11179	4.3
156.09216	2.1
157.10117	3.0
159.11679	36.9
161.13263	5.5
163.11147	2.6
171.11636	4.5
173.13255	3.5
176.63911	2.0
177.12766	25.3
179.14207	3.2
181.08611	3.0
195.10239	2.3
195.13815	13.2
199.14851	2.1
205.12018	1.8
213.05429	4.7
215.10541	2.2
233.15257	4.4
233.48911	2.0
241.04935	7.3
242.05716	17.6
245.04454	3.3
251.16328	6.9
251.20058	4.3
269.04370	31.2
269.07956	13.2
269.12891	7.1
269.17419	73.3
269.22208	10.6
270.05200	23.9
270.07684	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	269.19
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05511	15.9
57.03431	5.0
57.07069	4.2
65.03941	2.3
65.43763	1.5
67.05507	34.8
69.03437	3.8
69.07066	16.8
71.04998	5.0
71.59535	2.5
79.05486	20.3
81.07060	27.6
83.05000	7.0
83.08632	8.6
85.06557	2.3
91.05484	25.6
93.07048	33.4
95.04977	32.0
95.08611	38.7
95.09158	3.0
97.06535	12.8
103.05496	2.1
105.07033	41.9
107.08600	25.4
109.06546	11.8
109.10156	15.6
111.08099	5.9
115.05484	3.6
117.07025	9.8
119.08584	53.6
121.06501	3.9
121.10150	19.5
123.08067	9.7
123.11727	2.1
125.09635	2.8
128.06273	7.6
129.06999	10.1
130.07831	3.7
131.08574	38.4
131.09503	2.7
133.10129	29.8
135.08086	4.2
135.11734	6.7
141.07022	3.8
141.99989	1.9
142.07782	10.6
143.08574	27.7
144.09386	5.8
145.10141	42.0
146.10939	3.6
147.08086	7.2
147.11707	13.4
149.09650	5.3
149.13300	4.8
154.07813	2.0
155.08643	7.0
156.09344	15.7
157.10127	35.8
157.11284	2.7
158.10933	12.8
159.11681	20.7
160.12457	3.1
161.09651	3.3
161.13283	3.6
165.07054	4.5
167.08585	4.4
169.10091	11.9
170.10927	12.5
171.08110	3.5
171.11691	44.4
171.13129	2.9
172.12463	4.0
173.09639	3.9
173.13284	41.5
173.14685	3.4
175.11218	7.0
179.08565	3.8
180.09319	3.6
181.10106	9.1
182.10947	2.1
183.11656	11.9
184.12471	2.6
185.09712	3.2
185.13272	42.9
185.14844	3.1
186.14053	10.8
187.11263	3.1
187.14813	14.4
189.12787	3.0
193.10236	3.3
194.11031	2.9
195.11752	8.5
195.13866	5.3
196.12497	5.0
197.13350	5.8
198.14191	2.0
199.11221	4.7
199.14839	11.9
201.12764	3.0
207.11737	3.8
209.13298	10.7
211.11052	2.8
211.14832	17.7
213.12758	16.1
213.16478	3.5
214.12282	2.6
221.13300	4.5
224.95222	2.1
225.16388	3.0
226.11020	2.6
227.14307	4.5
236.15663	2.7
239.14476	2.4
241.05199	2.2
241.19478	9.0
251.17899	9.8
251.20232	4.6
255.16010	3.1
269.13098	9.8
269.19107	100.0
270.19543	2.5
287.14032	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01874	4.6
55.05514	35.4
56.96557	7.2
57.03443	33.2
57.07066	10.6
67.05169	8.9
67.05506	100.0
68.53789	3.7
69.07068	42.5
69.26655	45.7
71.04994	11.9
71.08633	5.3
77.04470	4.1
79.05495	45.6
81.03375	6.1
81.07058	99.5
83.04981	15.0
83.08604	25.0
85.06547	9.4
91.05486	31.9
93.07044	76.6
95.04970	10.0
95.08611	36.1
97.06515	20.5
105.07044	14.4
107.08575	41.4
109.06513	6.4
109.10155	17.0
111.08076	12.3
112.54194	4.1
117.07018	11.8
119.08591	9.8
121.06559	4.9
121.10139	32.7
123.11712	8.9
131.08571	14.5
133.10139	19.2
135.11717	14.9
136.11121	4.3
145.10152	4.9
149.09648	11.2
149.13249	45.2
157.81563	4.4
159.11707	43.5
177.09117	7.1
177.12766	18.0
185.09819	4.0
195.13812	27.1
211.10619	5.6
211.14789	4.5
251.20088	9.0
269.17383	81.8
269.22476	5.4
270.17514	5.6
271.32175	4.3
274.50784	4.6
276.06091	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	269.1749
Annotation	Trichotriol
Peak:m/z	Relative Intensity
50.21301	2.2
53.03930	3.5
55.01865	3.8
55.05515	22.8
56.96577	4.2
57.03441	31.5
57.07088	10.9
60.11786	2.5
61.49461	2.2
65.03920	3.0
67.05506	82.3
69.03444	2.3
69.07070	30.4
71.04993	7.9
79.05500	44.0
81.03442	4.0
81.07059	100.0
83.04996	10.7
83.08624	21.3
83.25896	2.1
85.06541	8.9
91.04967	2.9
91.05481	30.7
93.07048	73.1
95.04967	8.6
95.08613	31.0
97.06514	13.8
97.10170	3.5
99.08073	5.7
105.07027	13.6
107.08586	35.6
109.06538	5.9
109.10173	9.0
111.08088	10.8
117.07024	15.3
119.08571	9.0
121.06558	3.4
121.10134	25.9
123.08112	5.3
123.11686	5.6
125.09615	3.4
131.08588	17.6
133.10152	17.0
135.11719	13.3
139.11163	2.7
143.08575	3.1
145.10143	3.9
147.11754	4.4
149.09595	6.7
149.13278	39.5
151.11150	3.5
157.10193	5.6
159.11691	31.5
161.13312	2.9
167.14412	2.4
171.11720	4.5
173.13298	4.2
177.12692	19.0
185.13322	4.9
187.14746	2.8
195.12076	3.5
195.13770	20.0
198.06700	3.0
199.11279	2.2
211.10855	3.9
212.26909	2.1
241.08733	3.8
241.19312	3.1
248.50729	3.0
250.03154	2.2
251.20044	5.1
269.08127	5.8
269.11356	2.6
269.17297	76.0
269.22083	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	269.1749
Annotation	Arteincultone
Peak:m/z	Relative Intensity
55.01865	3.6
55.05514	23.6
56.96547	5.8
57.03435	29.6
57.07066	9.3
67.05176	5.1
67.05508	78.8
69.07064	31.7
71.04997	8.6
75.87837	2.8
79.05496	46.7
81.07058	100.0
83.04988	15.3
83.08618	19.5
85.06525	11.7
91.05492	23.7
93.07054	73.1
93.56709	3.1
95.04183	2.7
95.04970	9.1
95.08604	30.5
97.06540	14.9
97.10184	4.7
99.08035	3.1
105.07027	13.9
107.08603	38.2
109.06533	5.1
109.10125	9.3
111.08072	7.6
117.07006	12.6
119.08577	7.4
121.10152	24.3
123.11727	8.3
131.08546	11.4
133.10121	13.6
135.08098	5.2
135.11734	17.9
137.06407	3.8
144.09389	3.5
149.09680	3.6
149.13281	39.4
157.10156	3.5
159.11699	26.1
171.11639	3.6
177.12758	13.8
181.10103	3.4
195.13783	13.8
210.79184	4.3
222.31161	3.2
251.20045	7.6
269.11823	3.9
269.17416	70.1
269.22333	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	269.1286
Annotation	Rugulovasine B
Peak:m/z	Relative Intensity
51.02376	0.5
55.01872	1.0
55.05499	1.9
56.60014	0.4
56.96560	0.9
57.03444	0.9
57.07056	1.6
67.05507	5.2
68.05038	0.6
69.03436	3.1
69.07072	2.5
71.04987	2.0
71.60506	0.6
71.60932	0.8
73.27061	0.5
75.36996	0.4
77.03925	0.8
78.17780	0.4
79.05492	4.9
80.05003	0.6
81.03396	1.2
81.07060	8.8
83.04971	2.7
83.08610	1.8
85.06512	1.2
91.05469	5.7
93.07044	7.2
94.06580	3.0
95.04965	4.5
95.08614	3.9
97.02870	0.8
97.06541	3.0
97.10157	0.7
99.04461	0.6
101.06001	0.7
105.04515	0.5
105.07034	5.9
106.06567	0.8
106.07299	0.6
107.04922	1.3
107.08075	0.4
107.08604	4.6
108.08112	0.8
109.06544	4.2
109.10134	2.2
111.04436	0.5
111.08102	0.7
113.05961	1.1
115.05441	0.5
116.98667	0.8
117.07005	1.4
118.06523	2.0
119.04964	0.6
119.07268	0.9
119.08578	3.0
120.08105	0.7
121.06504	1.6
121.10130	2.2
121.70416	0.6
122.06032	3.6
123.04463	0.5
123.08083	1.7
123.11761	0.9
125.05966	0.7
125.09601	2.9
127.07517	1.6
129.06967	1.3
130.06573	0.8
130.07747	0.6
131.08586	2.8
132.04480	3.2
133.10124	1.6
134.06000	1.0
135.08102	3.6
135.11664	1.5
136.07561	0.6
137.05957	0.9
137.09633	0.8
139.07469	1.2
141.06964	1.6
143.07304	0.8
143.08563	2.3
144.08115	1.1
145.06416	0.8
145.09111	0.7
145.10118	4.6
146.06032	2.5
147.06787	0.8
147.07924	0.8
147.11652	1.9
148.07570	2.1
149.06020	0.7
149.09631	1.3
149.13228	1.0
151.11168	0.7
153.07016	0.7
153.12674	0.5
154.06601	0.6
154.07753	1.0
155.08522	0.6
156.08038	1.2
157.08809	1.3
157.10065	0.7
158.09685	0.8
159.07993	0.9
159.11746	3.8
160.07559	2.0
161.09607	0.6
161.13243	0.7
163.11214	6.7
165.12767	1.6
167.07266	0.8
168.08083	1.8
169.07585	1.7
169.08827	0.6
169.10129	2.9
170.08401	0.6
170.09674	0.8
171.10410	1.1
172.08885	0.8
172.11295	0.8
173.09604	0.9
173.13158	0.7
174.09073	0.9
177.12669	1.4
179.08586	0.7
179.10605	0.8
180.08058	1.5
181.08881	2.7
182.09645	1.5
183.09145	4.6
184.07599	1.3
184.09885	2.2
185.08359	0.7
186.12730	1.5
187.11183	10.4
187.14801	0.7
191.10727	0.8
193.12317	0.6
196.11186	2.3
197.07037	1.3
197.10841	6.8
198.09399	1.0
198.11494	7.7
200.10762	0.8
205.12234	7.0
208.07637	0.7
209.08429	1.1
209.10567	1.2
211.08667	8.7
211.12419	0.7
212.09398	4.3
212.13052	1.3
213.10185	1.1
213.13881	9.3
214.12318	3.5
215.10680	3.6
223.13341	12.8
224.10733	2.8
225.10207	5.9
226.10936	11.7
233.11653	1.8
233.15385	1.4
239.08231	1.7
239.11691	0.6
240.08881	1.3
241.13362	27.1
242.11768	1.7
251.12851	2.7
251.16348	1.0
251.20183	0.8
252.10097	1.0
254.10463	2.3
269.12851	100.0
270.10944	1.0
270.13525	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	268.1041
Annotation	Adenosine
Peak:m/z	Relative Intensity
51.65724	0.2
57.03426	0.5
58.52070	0.2
61.02926	0.2
65.54919	0.2
69.03421	0.3
70.17696	0.5
70.18088	0.6
71.92892	0.2
78.55681	0.2
85.02856	0.2
94.04069	0.3
94.85818	0.2
101.62151	0.2
106.51620	0.2
107.50623	0.2
119.03545	0.6
136.06184	100.0
137.04556	0.4
137.06569	0.6
147.51479	0.2
147.52795	0.2
149.41562	0.2
198.81744	0.2
249.09752	0.2
268.10391	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	267.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24883	0.5
53.03933	1.2
55.01857	1.2
55.05513	7.3
56.96552	1.8
57.03432	3.5
57.07055	0.9
58.06601	4.6
59.04982	0.6
64.47633	0.6
65.03928	0.6
67.05177	0.7
67.05503	9.0
69.03408	1.8
69.06771	0.6
69.07064	5.6
69.92638	2.1
71.04987	1.8
71.54692	0.5
76.44692	0.6
77.68652	0.6
79.05497	6.4
80.05013	5.9
81.03434	4.1
81.07061	13.6
82.06581	19.0
82.07069	1.0
83.04983	4.4
83.08611	4.0
85.06537	1.5
87.04462	1.0
91.05483	8.9
93.06548	0.7
93.07050	7.9
94.06557	4.0
95.04977	3.7
95.07339	1.9
95.08604	9.1
96.08160	3.1
96.08666	0.6
97.02882	1.0
97.06520	2.0
97.08891	1.6
97.10140	0.8
98.09641	0.5
98.20852	1.1
98.97580	1.2
99.08055	1.0
103.44926	0.6
105.07024	9.1
106.06564	0.6
107.04929	1.6
107.07365	0.7
107.08589	6.2
108.08120	13.4
108.08848	0.7
109.06502	2.5
109.10149	4.1
110.09673	1.4
111.08078	1.4
113.05986	0.5
115.03957	0.6
115.05450	0.9
116.98597	0.9
117.07022	1.4
119.04929	0.7
119.08581	7.0
120.08101	10.4
121.06490	1.3
121.10186	3.4
122.09653	2.4
123.08048	1.9
123.10503	0.6
123.11668	1.4
127.07481	0.8
127.71504	0.5
128.06151	0.9
129.05598	0.6
129.06981	2.0
131.08566	3.7
133.10124	4.3
134.09634	0.6
134.99638	0.8
135.11662	2.4
136.06195	1.1
137.05948	1.5
137.09613	1.3
137.13226	0.7
139.11163	0.7
141.07045	0.6
142.07787	3.3
143.08578	2.6
144.05647	0.6
145.06471	0.9
145.10118	2.2
147.08006	1.0
147.11678	4.2
149.09596	1.2
151.07458	0.6
151.11142	0.7
157.10129	5.0
159.11678	3.0
161.05969	0.6
161.09654	1.4
161.13254	0.8
162.01414	0.7
163.11127	1.0
165.12746	0.5
167.08536	0.9
169.10141	1.4
171.11716	1.0
173.09517	0.6
175.11186	3.2
179.10518	0.7
182.10870	0.7
185.09645	3.7
185.13243	1.0
188.14201	0.6
189.05540	0.8
189.09187	0.8
189.12837	0.8
192.13863	1.4
193.12238	2.5
195.11633	0.5
197.13197	1.4
203.10718	2.7
203.17807	0.7
204.13736	0.6
206.15421	3.3
207.10146	0.7
209.07779	1.5
210.14842	1.0
211.14867	1.3
213.09090	1.1
221.11737	1.3
223.04185	2.5
224.16454	100.0
225.16562	2.0
231.10115	1.5
231.13834	1.3
232.16956	7.6
237.05669	0.7
249.11166	2.0
249.14799	1.4
249.19719	4.7
250.18039	12.1
258.13165	1.0
267.12033	17.4
267.15955	6.2
267.20691	97.5
268.12360	1.0
268.20941	1.8
271.53738	0.5
285.09988	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1591
Annotation	Grangolide
Peak:m/z	Relative Intensity
53.03927	5.8
55.01860	6.6
55.05511	17.1
56.96554	6.4
57.03440	34.4
57.07079	2.7
65.03925	1.9
67.05506	40.1
67.45123	1.8
69.03420	5.5
69.07069	11.1
71.04968	5.1
71.26704	3.0
72.62003	1.3
79.05064	1.9
79.05495	32.1
81.03419	100.0
81.07059	39.8
83.04973	21.4
83.08626	20.2
85.02906	3.0
85.06521	2.2
91.05481	49.6
93.07040	26.8
95.04971	33.7
95.08607	18.6
97.02880	4.0
97.06504	6.5
97.10145	4.2
98.97593	4.3
99.04475	1.3
99.08065	2.9
105.07027	32.9
107.04945	13.1
107.08608	10.1
109.06500	9.6
109.10146	7.9
111.04475	3.1
111.08070	9.3
113.06022	1.8
115.05458	3.7
116.98608	3.4
117.07009	2.6
119.08585	26.8
121.06516	3.1
121.10143	11.5
123.04416	1.7
123.08065	3.3
123.11716	3.6
125.09608	2.6
128.06221	1.4
129.06998	13.3
131.08578	14.4
133.06451	3.4
133.10139	21.6
134.99716	1.8
137.06013	2.0
137.09615	3.5
142.07750	4.0
143.08565	1.6
145.10069	4.2
146.99619	1.4
147.08006	3.5
147.11687	19.3
149.09598	6.0
151.07501	2.2
151.11169	1.6
157.10135	19.2
161.13226	2.0
163.11238	2.5
165.12730	4.8
171.11630	1.9
175.11188	15.7
177.00761	2.3
182.94695	1.4
185.13155	1.5
193.12248	26.4
199.87885	1.4
203.14275	1.6
203.17859	1.6
208.74837	1.5
211.13286	4.5
223.22412	1.6
225.09148	1.9
231.13667	2.5
249.14906	4.3
249.18530	3.6
267.15924	87.9
267.25104	2.7
285.10098	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	267.1592
Annotation	Grangolide
Peak:m/z	Relative Intensity
50.69120	1.1
53.03931	4.1
55.01863	3.9
55.05514	15.6
55.66209	1.1
56.42156	1.1
56.96549	4.5
57.03437	24.0
57.07061	1.8
60.04497	1.1
64.88365	1.1
65.03922	2.5
67.05508	35.9
68.97010	1.3
69.03424	8.7
69.07069	12.3
69.47736	3.8
69.48157	5.8
71.04980	4.8
79.05063	2.3
79.05493	28.2
79.05949	1.4
81.03421	100.0
81.07057	47.0
83.04982	21.8
83.08621	20.3
85.02896	2.8
85.06527	4.7
87.04441	3.5
91.05482	40.8
93.06470	1.7
93.07041	24.4
95.04975	28.7
95.08048	1.9
95.08605	25.2
97.02878	4.8
97.06512	7.1
97.10146	4.7
98.97587	4.2
99.04475	1.7
99.08089	3.1
101.06026	1.5
105.07032	31.1
107.04948	11.5
107.08599	10.9
109.06533	8.9
109.10162	11.2
109.44204	1.2
111.04442	2.1
111.08087	9.5
111.11714	1.7
115.03907	2.8
115.05459	3.2
116.98618	2.8
117.07053	2.1
119.04951	2.7
119.08589	24.4
121.06492	3.8
121.09424	1.3
121.10158	13.1
123.08080	4.9
123.11694	7.3
125.09624	2.4
127.07565	1.6
129.07024	12.9
131.08575	12.6
133.06497	5.0
133.10138	17.3
134.99678	1.7
135.08012	1.6
135.11705	3.0
137.05977	4.1
137.09615	2.6
137.13266	2.3
139.11124	2.6
142.07774	4.5
143.08556	1.8
145.07584	2.7
145.10138	6.3
147.08049	5.0
147.11699	19.2
149.09602	6.1
151.07562	1.8
157.06386	1.4
157.08911	1.9
157.10124	17.6
159.11661	4.1
161.09555	2.5
161.13223	1.5
163.11186	5.4
165.12747	3.0
169.10127	1.7
171.11632	1.3
175.11197	13.4
177.00671	1.6
177.10268	1.2
177.12772	1.2
181.10222	1.2
183.11562	1.4
185.09532	2.0
186.06490	1.1
186.10954	2.6
189.12750	1.5
189.16312	1.4
193.10617	2.0
193.12254	24.2
194.07202	1.2
195.11444	2.7
197.04613	1.3
197.13292	1.7
203.10680	4.4
203.17924	3.2
211.13303	4.6
213.16296	1.6
221.11627	1.8
225.16339	1.4
231.13809	2.0
231.17422	2.7
249.11046	2.0
249.14888	5.3
249.18456	3.9
249.22342	1.2
256.08127	1.3
258.13031	13.0
258.63211	1.9
267.11761	4.4
267.13522	3.7
267.15915	81.2
267.21008	4.6
267.63617	1.5
268.16336	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1592
Annotation	Alliacolide
Peak:m/z	Relative Intensity
53.03941	3.3
55.01878	1.2
55.05513	6.9
57.03182	1.6
57.03438	20.0
67.05513	9.1
69.03433	1.3
69.07063	3.6
71.33645	2.0
79.05505	11.5
80.72195	1.1
81.03421	100.0
81.07050	12.2
83.04980	7.0
83.08626	17.2
91.05486	17.6
93.07054	8.9
93.83374	1.1
95.04370	1.5
95.04968	22.5
95.08604	5.2
97.02888	2.5
97.06501	1.6
97.10218	2.2
98.98468	2.1
105.07034	13.0
107.04951	4.6
107.08557	3.3
109.06503	3.4
109.10159	2.8
111.04514	1.4
111.08082	7.9
115.05438	2.2
117.07044	1.1
119.08586	14.7
121.10169	6.0
123.08068	2.3
125.09644	1.7
129.07033	8.5
131.08562	8.4
132.21976	1.2
133.06491	2.6
133.10156	4.4
137.09654	1.3
142.07787	2.2
147.08041	4.1
147.11696	9.3
147.12726	1.5
149.09633	5.4
157.10114	10.4
165.12772	3.5
175.11174	13.0
191.10912	1.2
193.12256	28.7
211.13284	3.8
249.14992	2.1
267.15921	90.9
289.91428	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1589
Annotation	Alliacolide
Peak:m/z	Relative Intensity
51.81613	1.0
53.03936	4.5
53.07611	0.9
55.01865	2.4
55.05506	9.0
56.96555	3.2
57.03437	24.8
59.11580	0.9
65.45464	0.8
67.05180	1.1
67.05505	16.6
69.03418	2.4
69.07059	6.8
70.44140	1.1
70.85256	3.4
71.04993	2.9
79.05496	13.4
81.03416	100.0
81.07055	18.4
83.04996	7.6
83.08138	1.4
83.08617	17.2
91.05478	18.9
93.07053	8.6
94.53794	1.0
95.04964	22.2
95.08113	1.1
95.08604	9.9
97.02901	2.5
97.06498	2.5
97.10146	2.7
104.29775	1.0
105.07029	14.7
107.04971	5.3
107.08588	7.0
109.06512	3.9
109.10145	2.9
111.04432	2.2
111.08054	7.6
111.42490	1.0
115.05399	1.6
117.07034	1.4
119.08575	14.6
121.02794	1.3
121.06477	1.4
121.10126	7.8
123.08031	2.3
123.11677	2.4
129.07010	9.9
131.08577	7.6
133.06483	3.2
133.10094	5.0
135.11682	2.0
137.05907	1.0
137.09538	1.5
142.07796	2.9
145.10110	2.4
147.08046	3.7
147.11697	9.8
149.09575	4.2
149.13266	1.6
157.10126	9.3
163.07556	2.4
165.12729	2.1
175.11169	10.9
191.07008	2.2
193.10687	0.8
193.12228	24.7
211.13202	2.5
223.04222	1.2
225.06525	1.1
231.20998	2.0
249.14830	1.8
261.10071	1.1
267.09061	4.5
267.15903	74.8
268.16675	0.9
285.10059	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	8.0
55.01852	9.4
55.05508	23.3
56.96548	9.6
57.03444	20.5
57.07070	5.9
59.04980	3.2
63.00038	20.1
64.92862	2.4
65.03925	3.7
67.05506	46.5
69.03428	21.5
69.07070	22.8
71.04992	15.2
71.58966	2.7
71.59426	5.4
73.02911	3.5
79.05072	2.8
79.05492	51.1
81.03419	80.0
81.07056	79.5
83.04977	27.8
83.08624	22.8
84.08124	3.7
85.02873	9.0
85.06524	9.3
87.04462	4.4
87.17684	3.1
91.05480	57.9
93.06468	4.2
93.07043	59.6
95.04965	53.1
95.08613	48.6
95.68617	2.7
97.02861	9.7
97.06523	16.7
97.10149	2.7
98.97553	4.4
98.98464	28.5
99.04436	4.5
99.08073	3.1
101.05984	3.5
103.03931	3.7
105.07027	66.6
107.04976	22.2
107.08590	35.2
109.06524	42.8
109.10167	18.5
109.33470	2.8
111.04430	8.3
111.08086	37.8
113.05989	5.8
115.05382	3.7
116.98545	6.6
117.07021	14.0
119.04900	7.2
119.08582	46.7
120.08102	5.2
121.06528	27.2
121.08363	3.0
121.10130	24.4
123.08074	22.0
123.11647	8.0
125.05971	7.2
125.09555	3.1
127.07532	5.2
128.06210	5.4
129.06979	21.4
130.07692	4.4
131.08582	29.7
132.74948	2.7
133.06462	9.2
133.10132	36.9
134.76778	2.6
134.99652	3.8
135.08006	12.2
135.11665	11.3
136.06216	3.9
137.05971	13.1
137.09590	12.1
141.05394	5.1
141.06955	4.5
142.07755	21.0
143.08537	16.6
144.09349	6.1
145.06470	7.0
145.10132	17.8
146.07179	3.8
146.99617	3.1
147.08029	11.5
147.11697	38.3
148.05794	3.1
149.09581	11.4
149.13251	4.9
151.07512	8.8
151.11153	6.6
152.06181	3.1
153.05408	4.0
153.12674	5.5
155.07001	4.5
157.06454	2.9
157.08932	4.3
157.10126	40.9
159.08040	9.1
159.11717	22.5
160.08691	2.6
160.97650	15.0
161.09634	25.4
161.13289	3.0
163.11200	24.9
164.01678	3.4
165.09105	4.5
165.12714	8.3
167.08574	2.8
169.10170	5.5
171.07996	5.0
171.11621	5.6
173.13254	2.9
175.11171	30.4
177.09048	4.3
177.12701	6.5
181.12151	8.2
185.09641	26.2
185.13196	3.0
185.52730	2.6
187.11139	9.9
189.09027	5.9
189.12689	3.3
191.10655	3.1
193.08513	3.6
193.12225	26.7
198.06665	2.9
200.71643	2.8
203.10689	29.1
203.14180	3.7
204.13834	3.1
205.12141	3.3
207.13737	6.6
213.09105	21.8
220.47018	2.7
221.11737	14.0
221.15269	3.6
222.96887	17.9
223.04160	3.2
231.10272	14.6
231.13696	10.9
249.11243	13.1
249.14751	10.7
249.18489	6.1
266.99615	3.0
267.12292	14.6
267.15845	100.0
267.19266	4.7
267.20001	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	267.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	11.4
55.01873	14.0
55.05510	24.3
56.96554	5.6
57.03434	23.6
57.07070	7.0
62.65291	4.1
63.00045	15.2
65.03930	4.0
67.05495	62.4
68.99801	3.4
69.03427	20.3
69.07069	29.2
69.48972	15.8
69.49403	17.2
71.04991	20.4
73.02911	3.7
79.05060	6.0
79.05494	76.7
81.03419	56.9
81.07056	100.0
83.04967	29.0
83.08613	22.2
85.02893	11.9
85.06526	10.8
87.04475	5.9
91.04945	7.2
91.05474	58.7
93.07042	80.9
95.04971	69.8
95.08601	60.5
97.02898	7.3
97.06547	21.7
97.10162	4.3
98.97554	5.8
98.98473	21.1
99.04458	6.6
103.03990	5.1
103.05453	9.0
105.07029	91.2
107.04942	33.1
107.08596	53.4
109.06516	58.4
109.10162	19.9
111.04427	16.2
111.08078	55.6
113.06013	6.7
115.05449	4.8
117.07015	24.2
119.04896	7.9
119.08575	43.9
120.08049	4.4
121.06482	34.8
121.10136	25.8
121.98760	4.1
123.04410	5.4
123.08105	29.8
123.11691	6.9
125.05997	8.2
127.07533	9.6
128.06239	11.4
129.05516	9.1
129.07008	23.8
130.07854	5.5
131.08568	31.7
133.06511	18.7
133.10129	34.6
134.94278	3.7
135.04445	6.0
135.08078	9.0
135.11671	25.9
137.05978	27.2
137.09625	14.3
139.03897	6.1
141.05444	5.8
141.06975	7.0
142.07785	31.0
143.08527	23.0
145.06479	12.4
145.10124	37.5
146.38785	4.0
147.08025	13.1
147.11681	36.0
149.05978	4.5
149.09608	14.4
149.13231	7.1
151.07578	7.0
151.11156	5.4
153.12752	9.3
157.10132	45.6
159.08067	12.5
159.11690	40.3
160.97638	9.3
161.06024	6.5
161.09631	41.8
163.11172	34.5
165.08983	5.0
165.12735	7.4
167.08585	10.3
169.10132	5.7
170.07249	4.5
171.08031	8.7
171.11784	4.9
172.08841	6.7
173.09656	7.7
175.11197	43.3
177.12796	5.4
179.10738	5.3
181.12228	15.5
185.09618	40.5
185.13206	4.9
187.11203	12.7
189.09135	8.2
189.12692	5.0
191.10724	5.6
191.14221	5.3
193.12239	18.2
203.10687	43.9
203.14409	4.8
205.12221	7.9
213.09100	23.3
219.01822	4.8
221.11732	28.7
222.96931	6.7
231.10136	17.7
231.13791	5.7
246.09227	4.8
247.10036	7.9
249.11214	14.2
249.14967	12.2
267.12213	15.3
267.15921	71.6
267.18808	5.5
267.19821	4.2
267.61292	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	267.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.3
55.01878	0.3
56.05039	0.2
56.96558	1.5
57.03435	0.4
57.07081	0.3
59.05018	0.3
60.04505	0.3
61.02917	0.6
61.71508	0.2
65.03905	0.2
67.05508	2.4
69.03432	0.5
69.07063	0.4
70.06589	0.6
71.04975	0.4
71.32703	0.5
73.02911	0.5
74.06059	0.2
79.05479	0.6
81.03409	0.4
81.07050	0.6
83.04999	0.3
83.08595	0.2
84.04517	0.3
84.08131	0.9
84.96028	0.2
85.02898	1.9
85.06589	0.3
86.06009	0.2
86.09699	0.5
87.04462	0.4
91.05479	0.2
93.07030	0.3
94.06570	8.7
94.12218	0.2
95.04957	0.3
95.08606	0.4
97.02900	0.5
97.06480	0.3
98.97575	1.1
100.03974	1.1
101.02374	0.4
103.05479	0.2
104.07067	0.3
105.06990	0.3
106.06561	2.5
107.04939	0.3
110.22871	0.2
116.98629	0.5
118.05003	1.0
119.08589	0.2
120.08110	4.5
122.05147	0.4
122.06031	6.5
123.09578	0.2
123.11668	0.2
127.03973	0.4
134.99605	0.5
136.06189	8.0
146.99681	0.4
147.11386	0.3
150.05508	100.0
151.05878	0.6
158.99687	0.3
165.00594	0.2
167.08279	0.3
168.06567	3.7
174.04312	0.2
177.00716	0.5
191.03857	0.3
204.05428	0.4
206.98091	0.3
222.06509	0.2
237.02716	0.5
249.12183	0.3
267.07224	0.3
267.09772	6.6
267.13239	0.3
268.10336	0.6
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
55.01889	0.6
55.05519	1.4
56.96559	2.3
57.03443	0.9
59.05006	1.1
61.02934	1.2
67.05507	1.0
68.82771	0.4
69.03428	0.7
69.07075	1.1
70.06612	0.7
71.05006	2.0
71.58463	0.7
72.08163	1.0
79.05489	1.6
81.03419	2.4
81.07059	4.2
83.04991	0.5
84.04502	0.7
84.08147	0.7
85.02914	1.5
86.09713	1.1
91.05479	2.6
93.07054	2.0
94.04066	0.9
95.04977	0.9
95.08606	1.0
97.02892	0.7
97.06577	0.7
98.97594	1.0
104.46615	0.5
105.07055	1.6
106.07335	0.6
107.04910	0.7
107.08609	1.5
109.06518	0.8
116.98616	1.7
117.07011	0.6
119.03557	1.8
119.04960	0.5
119.08601	1.6
121.06495	0.7
121.10101	0.7
124.07610	0.7
130.04993	0.8
131.08580	0.7
133.10143	1.9
134.99669	1.1
136.06186	100.0
137.04613	1.8
137.05853	0.7
137.09654	0.6
143.08557	0.7
146.99719	0.6
147.11647	0.6
152.07082	1.0
157.10150	0.7
161.09624	0.7
165.09091	0.6
166.09459	1.3
173.09599	0.6
178.04939	1.0
185.13324	0.7
191.14323	0.9
193.12212	0.7
203.14403	0.6
203.39351	0.5
204.13791	0.5
205.08015	0.8
206.15292	0.5
214.08624	1.0
222.14781	1.3
225.59344	0.5
231.13774	1.2
232.24678	0.5
234.13483	18.4
248.16678	0.5
266.16064	56.5
267.07574	0.5
267.16034	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	266.1026
Annotation	Unknow
Peak:m/z	Relative Intensity
53.72482	1.0
55.05506	1.2
56.96555	3.6
59.05027	1.1
60.04533	11.5
63.06054	0.9
65.03934	1.1
67.05506	2.0
69.03429	1.5
69.07069	1.8
70.02947	1.2
70.06590	1.4
71.05000	5.1
71.60836	1.7
79.05481	1.7
79.50890	1.1
80.05848	1.0
80.77967	1.0
81.03415	2.0
81.07040	3.2
83.04981	2.7
85.02903	4.9
85.06573	1.3
85.10184	1.9
88.03997	60.6
91.05487	87.0
93.07058	2.3
94.07381	0.9
95.04985	1.3
96.08948	1.2
96.90505	0.9
97.02908	1.0
98.97577	3.4
100.10456	0.9
102.05548	100.0
105.07022	3.4
107.08611	1.6
109.10177	1.2
113.60108	0.9
114.36909	1.1
116.98598	3.0
119.01862	0.9
119.08582	1.5
120.08170	1.4
128.98628	2.4
129.05501	1.4
130.05008	1.9
131.00175	1.0
131.08572	0.9
133.10124	1.7
134.99626	1.7
143.00121	1.2
145.10110	1.5
146.06001	2.9
147.60973	1.1
148.06055	60.7
157.10123	1.5
177.00726	1.4
185.01309	1.1
185.09668	1.3
189.12767	1.2
202.09456	1.6
203.02271	1.9
206.08159	4.0
220.09721	11.4
232.64940	1.1
234.07382	1.6
234.09462	9.3
234.59633	1.5
237.02806	1.6
245.60228	2.1
248.09270	2.7
266.10333	3.7
266.14435	1.1
266.17752	3.2
267.15717	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	266.036
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96571	3.0
57.03434	0.6
69.03424	0.4
71.59653	0.3
71.60059	0.4
81.03400	0.6
84.08150	0.4
84.96014	0.5
85.02893	0.6
91.03889	0.4
97.02881	0.6
98.84101	0.4
98.97588	3.9
99.97895	0.6
101.00842	0.7
104.10728	2.9
116.98616	4.4
117.98967	0.6
119.01917	8.6
121.01656	0.5
130.30304	0.4
131.01897	0.5
134.99670	4.7
136.00005	0.7
137.02960	4.1
143.01971	0.4
145.98538	0.4
146.99663	0.5
153.00807	1.0
154.94159	0.6
157.44325	0.4
158.01337	0.4
158.99837	0.8
161.96286	0.4
171.60594	0.3
172.95200	1.0
177.00940	16.7
178.01048	0.9
179.80255	0.3
181.98868	0.3
182.96861	1.1
190.96255	0.9
195.01953	0.8
200.02562	0.5
201.00754	2.8
201.02480	0.5
206.00377	0.4
217.04024	2.9
219.01987	23.0
220.02171	2.3
222.95340	0.5
223.99861	1.1
225.00873	2.3
230.93695	0.5
230.96001	0.8
231.45686	0.5
233.00301	1.2
234.00890	0.4
239.96379	1.4
240.96474	0.4
242.03496	0.7
242.95609	0.5
243.01917	7.3
245.00571	0.5
256.96542	0.5
261.03055	100.0
262.03192	1.9
263.03302	0.5
266.03448	1.2
266.06339	3.8
266.16071	1.7
272.94580	0.5
284.04620	7.0
284.07593	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1799
Annotation	Speciosin K
Peak:m/z	Relative Intensity
53.03935	8.0
55.01862	9.3
55.05518	38.6
55.58744	4.0
56.96556	11.3
57.03421	6.1
57.07061	14.4
67.05508	44.9
69.03428	8.8
69.07076	37.5
70.79725	12.3
71.04999	11.1
79.05481	31.3
81.03425	9.7
81.07054	66.9
83.04982	14.5
83.08614	15.4
85.02940	5.3
85.06553	12.2
87.13168	4.6
91.05496	36.7
93.07052	46.7
95.04968	20.9
95.08615	58.8
97.06525	18.3
97.10143	5.3
98.97591	7.8
99.04433	6.8
99.08125	6.1
101.06025	7.8
104.88880	4.9
105.07030	44.3
107.04960	9.2
107.08607	54.1
109.06498	10.6
109.10151	32.1
111.08125	4.8
115.05358	5.0
116.98676	8.2
117.07016	17.9
119.08588	74.1
121.06498	7.9
121.10170	36.5
122.07162	6.3
123.08063	12.2
123.11667	10.2
125.06004	16.5
129.07008	7.5
130.07809	7.5
131.08569	38.5
133.10112	47.3
134.99693	9.2
135.08035	18.3
135.11728	16.7
137.09633	10.8
139.07552	7.7
139.11215	5.2
143.08548	15.4
145.06476	9.2
145.10120	65.4
147.08067	15.4
147.11673	18.8
149.02357	4.4
149.09642	20.3
149.13222	5.8
152.77036	4.5
153.09157	5.4
155.08524	10.1
156.09367	9.7
157.10133	14.3
158.10909	11.2
159.08026	7.4
159.11717	30.2
161.02975	5.8
161.09637	11.7
161.13391	6.2
163.11200	16.3
165.09142	11.2
167.10675	9.9
169.10081	12.8
171.11668	13.7
173.09633	22.8
173.13272	78.3
181.10150	7.6
181.12378	6.6
185.13246	6.4
187.11185	16.0
187.14854	27.4
189.12775	6.1
189.16351	7.4
191.10684	21.0
196.12486	8.2
201.12709	6.5
201.16380	17.8
205.12242	7.6
209.11653	11.6
211.14786	13.2
214.13449	8.8
229.15921	24.7
247.13298	6.8
247.14293	5.9
247.16963	95.2
265.14651	7.8
265.17911	100.0
265.21957	7.9
265.25446	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	265.1645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.2
55.01854	2.3
55.05510	9.0
56.96559	4.0
57.03440	12.0
57.07079	9.5
61.02903	1.9
63.04493	2.8
67.05495	5.5
69.03406	6.0
69.07057	6.3
71.01334	2.0
71.04995	42.2
71.30682	3.5
73.02899	4.7
75.04478	10.0
75.56364	1.9
79.05488	9.7
81.03406	4.9
81.07060	13.0
83.04982	10.8
83.08614	2.7
84.08098	1.8
85.02905	100.0
85.06541	4.3
86.09705	4.9
87.04462	2.5
91.05460	10.2
93.07053	12.1
95.04946	6.3
95.08607	9.9
97.02859	4.0
97.06522	5.1
98.94102	1.5
98.97572	7.3
99.04450	3.6
101.06030	2.0
103.35777	1.8
105.07032	12.3
106.54702	1.9
107.04953	4.8
107.08623	10.8
109.06530	4.3
109.10168	4.6
111.04430	8.1
111.08068	5.1
115.03959	2.0
115.05412	4.5
116.98638	5.7
117.07008	8.7
119.08566	7.9
119.10685	13.4
120.08102	2.6
121.06455	3.3
121.10133	7.3
122.05997	2.2
122.07146	3.0
123.08080	3.8
125.09644	1.7
128.06168	2.0
129.05482	25.0
129.06973	4.1
130.07751	2.2
131.08559	8.1
133.10118	8.1
134.99635	3.3
135.04388	2.2
135.08028	4.7
135.11646	2.4
137.05992	4.7
137.09615	2.1
139.07541	2.8
139.11113	2.6
141.05466	2.1
142.05209	2.0
142.07813	2.7
143.08582	2.3
145.06487	8.4
145.10121	10.6
147.06537	8.5
147.08063	2.5
147.11708	2.9
149.09673	3.1
149.13165	2.1
151.07549	2.5
155.08557	4.5
157.10115	3.4
159.07970	2.7
159.11673	4.9
161.05946	4.2
161.09572	3.7
165.09149	2.4
173.06007	10.2
173.09630	8.9
173.13335	3.0
175.11154	5.0
175.14856	2.7
177.00647	4.2
177.08997	2.1
183.08020	3.6
183.11554	1.9
187.07573	2.3
190.06296	2.1
191.10683	3.4
191.14337	2.7
201.09131	12.9
201.12753	4.2
203.07004	2.0
203.10686	2.7
204.58940	1.8
205.08588	9.3
214.08614	2.6
217.08577	4.1
219.10133	5.1
219.13724	2.6
224.09975	1.9
229.08405	2.5
229.15828	2.2
233.10225	2.5
247.09654	3.1
247.13391	5.1
247.16934	4.0
248.09248	3.1
265.10501	7.4
265.14438	6.2
265.18115	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	265.1546
Annotation	H-VAL-PHE-OH
Peak:m/z	Relative Intensity
53.03955	0.8
53.48062	0.4
55.05513	10.9
56.05028	0.6
56.96559	1.0
57.03439	0.4
57.05809	0.9
67.05515	0.7
69.03434	1.3
69.07083	0.8
69.66555	2.4
69.66972	0.7
70.06593	0.4
71.04994	0.7
72.08157	100.0
73.02923	0.5
73.08479	0.5
79.05502	0.8
81.07063	1.3
83.05004	0.6
85.02901	0.8
86.09727	0.8
91.05479	1.4
93.07063	1.2
95.04930	0.4
95.08612	0.5
97.02880	0.6
98.21474	0.7
98.97583	4.9
105.07046	1.2
107.04983	0.7
107.08620	1.6
108.08939	0.5
109.02920	0.6
109.10183	0.8
111.57817	0.4
116.98597	3.1
117.07027	1.0
119.08576	0.9
120.08111	12.8
121.06591	0.4
121.10192	1.1
127.03896	0.5
128.98589	0.6
131.04944	0.6
131.08595	1.2
133.06517	0.6
133.10150	2.1
134.10490	0.8
134.99666	1.7
135.08075	1.1
136.06229	0.5
137.05954	0.5
145.06549	0.6
145.10185	0.7
146.99672	0.6
149.05975	0.5
158.99651	2.2
159.11711	0.4
161.05969	0.6
166.05061	0.6
166.08649	11.2
173.06067	1.0
173.09697	0.4
173.13284	1.2
174.13643	0.7
175.07552	0.5
177.00716	3.2
191.14346	0.6
193.58415	0.5
200.02481	0.4
205.08627	1.4
205.58308	1.4
214.08643	1.3
214.58705	4.4
214.60472	0.4
215.08824	0.7
217.08755	0.6
219.15099	0.7
223.09261	1.0
223.59262	4.2
224.09488	0.6
226.09705	0.5
232.59830	0.5
235.10103	0.4
252.85675	0.4
265.11514	0.8
265.15533	6.4
265.18082	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1435
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
54.46042	2.2
55.01887	2.3
55.05519	12.2
56.96560	3.5
57.07070	4.7
59.04991	3.8
65.03954	4.7
66.37724	2.2
66.92380	2.4
67.05499	17.6
68.99771	5.4
69.03433	19.0
69.07065	13.7
69.38558	11.3
69.38997	13.3
71.04989	6.4
71.08646	4.3
76.91753	2.5
77.48089	2.4
78.93198	2.2
79.05492	16.0
81.03475	2.6
81.07059	31.4
83.04980	43.6
83.08625	4.8
85.02917	4.5
85.06555	6.6
91.05486	26.7
93.07046	32.7
95.04980	10.3
95.08604	19.9
97.02885	6.6
97.06526	5.6
97.10191	4.2
98.21632	2.5
99.04468	3.3
100.18460	2.7
105.07027	27.0
107.04940	3.6
107.08605	34.2
109.02893	9.1
109.06530	16.2
109.10124	15.8
111.04434	19.4
111.08091	7.5
113.06010	10.5
113.63995	2.5
116.98614	4.2
117.07010	11.9
119.08595	24.5
121.06498	31.8
121.10119	15.8
121.29523	2.3
123.08063	18.2
123.11702	5.7
125.09621	5.4
128.06229	3.6
129.07031	5.0
131.08534	15.2
133.10121	11.2
135.08058	70.4
135.11728	7.7
137.05988	4.4
137.09630	9.9
137.13246	4.0
143.08539	7.0
144.09358	5.0
145.06483	14.5
145.07552	2.9
145.10120	17.1
147.08049	8.3
147.11644	6.7
149.06004	6.9
149.09630	16.2
151.07605	3.9
151.11217	3.0
153.09097	9.0
155.08652	3.8
157.10217	4.1
158.10912	5.0
159.08087	10.4
159.11679	23.5
161.09645	6.6
163.07538	43.9
163.08795	3.7
163.11177	12.9
165.09143	4.1
170.10910	2.8
171.08116	3.5
172.08855	7.5
173.06007	5.2
173.09593	15.1
173.13264	23.0
177.12820	4.1
181.08678	2.9
183.11702	4.2
186.10396	13.2
187.11191	49.6
189.09055	3.7
189.12721	4.5
191.07011	21.2
201.12749	37.2
201.16431	2.4
205.12228	15.0
209.08110	7.8
211.11185	9.0
214.09846	2.7
219.13802	21.6
219.17421	2.9
229.12239	55.1
229.15829	3.8
233.15396	3.8
247.13298	100.0
247.17021	6.7
265.14355	18.9
265.17657	18.0
265.21722	3.3
265.25311	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	264.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	100.0
61.02913	1.8
69.03439	3.0
69.07089	1.9
70.06586	3.0
71.04963	3.9
71.51582	3.3
71.95251	2.1
72.08141	2.0
72.17903	1.9
72.96046	2.2
73.02930	3.2
73.06544	4.4
74.02439	1.8
74.06084	2.4
74.97624	2.5
78.50911	2.1
80.31645	1.7
81.07053	2.6
84.04503	5.8
84.08122	1.7
85.02894	8.0
87.68476	1.8
97.02886	4.5
97.99169	1.8
98.97549	10.3
111.29392	1.8
112.50353	1.7
114.05529	3.5
116.98602	14.1
122.21513	2.1
130.06474	2.1
131.01868	1.9
132.08067	2.7
134.99666	10.8
142.04996	3.9
146.99622	2.2
147.05673	3.2
150.07738	3.4
153.00687	2.2
156.10190	4.4
161.02817	2.9
162.03012	2.5
162.05417	2.4
163.04472	2.5
167.03877	2.7
176.03786	12.7
176.08099	2.1
178.05417	13.0
181.01744	2.0
183.03261	5.8
194.04875	10.0
196.06480	15.4
201.04359	9.2
202.10747	17.6
204.03386	7.4
208.02879	3.8
222.04370	63.4
226.03856	6.4
240.05429	78.7
245.06003	7.3
263.07077	3.9
264.05438	27.1
264.13882	3.2
265.05765	2.6
282.06546	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	263.2371
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
55.05496	18.6
57.07068	7.2
64.07673	5.4
67.05509	74.6
69.07056	19.9
69.95539	31.4
71.08640	6.4
73.14218	4.6
79.05501	26.2
81.07058	100.0
83.04964	7.0
83.08614	15.4
91.05478	24.3
93.07044	27.8
95.08606	92.6
97.06523	6.9
105.07059	9.6
107.08604	20.7
108.77463	5.7
109.10172	53.9
113.09653	5.1
119.08549	12.4
119.33459	4.7
121.10139	21.2
123.11709	22.2
129.02226	5.2
129.39981	4.7
133.10133	20.0
135.11694	18.3
137.13237	10.4
147.11726	13.7
148.96042	5.8
149.13245	7.8
161.13283	12.0
163.14745	10.1
165.16295	7.9
175.14865	7.5
200.26602	6.7
245.22676	42.8
263.23709	95.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2369
Annotation	Farnesyl acetone
Peak:m/z	Relative Intensity
53.03932	1.5
55.05507	16.6
57.03435	1.3
57.07072	11.0
65.03915	2.7
67.05505	82.9
69.07064	18.9
69.44375	9.3
71.04984	2.0
71.08630	7.3
79.05494	19.9
81.07056	100.0
83.04988	1.4
83.08619	14.2
85.06538	4.4
85.10170	2.7
91.05482	17.3
93.07047	19.7
93.20004	1.1
95.04962	1.3
95.08606	88.3
97.06509	7.0
97.10181	7.7
99.08087	5.1
99.41772	1.1
105.07041	11.2
107.08591	14.1
108.05950	1.2
109.06471	1.5
109.10155	46.5
111.08086	3.6
111.11698	1.2
113.09637	2.1
119.08592	13.9
121.10139	20.0
123.08082	2.4
123.11716	18.9
125.09680	1.4
127.11177	1.5
133.10138	15.8
135.11710	9.1
137.09564	2.4
137.13249	8.4
141.12769	1.8
147.11655	8.8
149.13271	7.7
151.11282	1.3
151.14830	8.2
155.14287	3.4
161.13283	10.3
163.14813	6.5
165.16394	10.2
175.14819	8.4
175.40900	1.2
177.16463	1.4
179.17975	6.4
189.16328	2.6
219.21169	1.4
245.22652	36.9
263.14465	1.5
263.23706	73.4
268.10406	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1641
Annotation	3''-Hydroxy-geranylhydroquinone
Peak:m/z	Relative Intensity
50.13326	3.1
55.01871	7.6
55.05510	44.2
56.96573	6.3
64.71453	3.7
67.05505	15.1
69.03418	7.8
69.07068	5.3
71.05006	5.2
71.59494	6.7
79.05501	18.4
81.03442	3.5
81.07065	43.9
83.04973	3.8
83.08621	100.0
83.09119	5.4
85.06544	4.4
91.05476	17.7
93.07043	20.7
94.04174	8.1
95.04935	18.2
95.08615	17.6
97.06532	6.3
104.99272	29.5
105.07059	12.6
107.08590	43.9
109.06515	92.7
109.10191	5.4
111.08086	15.6
113.09610	4.4
119.08596	13.4
121.10143	10.8
123.08093	12.1
125.09629	12.1
127.07627	4.7
133.10136	8.4
136.56689	3.4
137.05977	27.8
139.11166	25.4
145.10095	8.2
145.35048	3.4
147.08081	7.4
153.09103	10.5
159.11723	8.8
161.09648	4.3
181.12248	19.8
185.13374	5.4
186.07933	4.4
187.11284	7.6
203.10722	3.7
203.14360	15.9
205.12241	20.0
221.15327	27.1
245.15520	9.0
263.16504	24.2
263.20123	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	263.0528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65035	9.5
69.91827	42.4
69.92242	24.2
91.47354	10.4
98.21407	14.3
117.16260	12.5
118.57156	10.9
119.01917	28.8
125.17731	9.6
131.01901	20.9
143.01909	29.4
155.01849	11.9
156.80196	9.6
161.02969	100.0
173.02940	28.7
191.04094	25.2
203.04001	15.1
243.75212	10.0
263.01715	81.4
263.05423	83.7
272.74585	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	263.1427
Annotation	H-Met-Leu-OH
Peak:m/z	Relative Intensity
55.05508	2.2
56.05035	60.8
56.96563	3.0
57.03430	1.0
57.07081	1.1
61.01151	34.2
66.78233	0.6
67.05504	1.2
69.03415	1.3
69.07050	0.9
69.55753	1.4
69.56172	4.0
70.06586	1.2
71.04987	2.4
73.02925	0.8
74.06081	4.8
81.03401	0.8
81.07030	1.7
83.05016	0.7
84.04501	1.0
84.08138	0.9
85.02899	5.3
86.06034	0.8
86.09701	9.4
88.81748	0.6
89.95155	0.6
91.05483	1.9
93.07041	0.8
93.40842	0.6
95.04938	1.0
95.08601	1.6
97.02883	1.5
98.21512	0.7
98.97584	2.2
99.04463	0.8
102.09174	1.0
104.05327	100.0
105.07023	1.7
107.04990	0.7
107.08569	1.4
109.06503	1.0
109.10161	0.9
113.10833	1.1
116.07110	1.4
116.98586	3.0
117.07000	1.7
118.06548	0.9
119.04888	0.8
119.08595	1.6
120.08128	2.3
121.10130	1.3
123.04424	0.7
127.03877	0.9
128.04222	0.7
128.98602	0.7
131.00127	0.6
131.08646	1.0
132.06575	0.9
132.08076	3.6
132.10211	5.4
133.10141	1.6
134.77078	0.6
134.99658	1.8
141.10243	1.5
142.07703	0.6
143.08607	0.8
144.01096	0.8
144.08095	1.0
146.06027	3.8
146.99661	1.2
147.04399	0.8
147.11658	0.6
152.29732	0.7
158.99640	1.8
159.11703	0.6
161.09558	0.8
169.13371	1.8
172.11545	1.7
177.00710	2.2
177.04292	0.8
179.03415	1.5
184.76775	0.6
188.07036	4.2
191.05696	4.7
198.11304	1.7
203.03917	0.8
215.13937	7.1
217.13669	4.3
219.01703	0.8
223.09026	1.4
232.09497	0.9
237.02744	0.6
238.98529	0.6
241.10182	1.3
245.12955	5.8
245.15192	0.9
263.05145	0.9
263.10098	1.1
263.14191	18.5
263.16809	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0164
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96560	91.0
61.02925	45.6
61.48540	18.3
70.19424	71.3
73.02917	24.1
85.02894	54.4
88.54280	19.9
97.02882	23.4
98.97601	100.0
106.29035	18.5
110.97561	23.4
112.19745	17.6
112.99156	21.0
115.17626	19.9
116.98655	43.7
119.01967	31.8
119.62437	18.3
122.44216	21.4
122.78194	20.1
127.03922	20.4
128.98627	19.3
131.00191	25.8
145.03468	21.4
160.04788	40.1
161.02979	51.7
169.03085	25.4
169.04201	89.1
175.04448	22.4
177.00818	21.6
186.27711	20.8
188.97116	45.2
221.82788	19.7
237.02930	27.2
263.01645	23.3
263.06210	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0165
Annotation	Unknow
Peak:m/z	Relative Intensity
66.22585	5.6
69.92835	28.2
69.93249	11.5
70.74957	7.1
71.17195	6.2
101.00876	16.3
119.01949	33.5
131.01900	15.6
143.01912	29.4
155.01839	7.6
161.02982	100.0
173.02965	37.5
184.65788	5.4
191.04010	21.2
203.04047	18.0
221.05083	7.2
263.01675	74.5
263.05942	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	262.1803
Annotation	Phlegmariurine A
Peak:m/z	Relative Intensity
55.05505	0.7
56.05036	0.6
56.96559	0.9
57.07076	4.2
58.06588	0.8
61.72317	0.5
66.38952	0.4
67.05511	0.7
68.05041	0.7
69.07056	0.7
69.37525	4.0
70.06593	11.9
71.08631	4.5
72.08138	0.4
74.06090	0.5
79.05503	1.1
81.07051	0.9
82.35435	0.4
84.08125	1.2
85.02879	0.5
85.72328	0.4
86.09689	0.7
87.04470	23.9
88.07631	12.7
91.05476	1.0
93.07043	1.5
95.08622	0.6
97.02899	0.4
102.09168	1.0
105.07001	0.8
105.22638	0.4
106.06554	0.4
106.08656	1.9
107.08504	0.5
109.10153	0.7
114.09161	5.0
116.98621	0.5
118.06541	9.0
118.08646	2.2
119.08572	1.5
121.10140	0.5
131.08447	0.5
132.08080	3.2
132.10204	20.0
133.08844	2.0
133.09995	0.9
134.09639	1.2
136.07507	0.4
136.11140	0.5
146.09634	2.6
147.07970	0.5
150.07402	0.4
150.11252	17.9
158.69884	0.4
161.54062	0.4
172.84962	0.4
174.12785	0.4
176.14348	60.4
177.00885	0.5
186.18495	1.5
192.13853	4.1
200.20108	1.0
206.15366	0.6
211.11807	0.4
218.11707	0.5
218.21175	4.7
244.20961	0.6
262.18030	94.5
262.21533	32.7
262.23804	100.0
263.18335	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	261.2214
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
51.02365	0.6
53.03944	1.9
55.05272	0.6
55.05515	10.1
57.03431	1.3
57.07079	3.8
60.00802	0.5
65.03946	1.2
67.05506	33.4
69.07068	9.4
71.04628	0.4
71.04986	2.4
71.08633	1.2
77.03905	0.6
79.05495	40.6
81.03432	0.5
81.07059	36.4
83.04968	1.4
83.08624	5.8
85.06530	2.9
91.05486	19.9
91.05969	0.4
93.07047	53.4
94.07361	0.9
95.04958	3.3
95.08610	28.0
97.06544	2.4
97.10168	2.2
98.21529	1.0
99.08096	3.4
101.94188	0.4
103.05459	0.5
105.04531	0.8
105.07036	13.9
105.85010	0.5
107.08598	38.0
108.08962	0.6
109.06508	1.7
109.10162	12.9
111.08070	2.3
111.11716	0.8
113.09621	0.7
117.07022	5.4
119.07785	0.9
119.08588	12.3
121.10148	33.9
123.08085	1.6
123.11715	3.1
129.07031	0.6
131.08574	10.8
133.10146	10.6
135.08133	0.7
135.11696	26.6
137.09579	1.6
137.13321	0.8
137.67236	0.5
139.11148	0.5
145.10127	11.3
147.11697	10.1
149.09634	0.8
149.13264	23.7
151.11189	1.1
151.14790	0.9
153.12735	0.8
159.11694	9.3
161.13277	8.8
163.11166	1.1
163.14828	16.1
165.12799	0.9
173.13268	8.0
175.14838	3.7
177.12775	1.0
177.16423	4.3
179.14302	2.0
181.78076	0.5
187.14821	6.1
189.16351	1.0
191.14294	0.6
201.16412	2.6
203.17903	0.5
215.17937	1.4
217.19490	0.7
219.17461	0.8
231.47614	0.4
233.22624	1.4
237.47157	0.5
243.21098	30.9
244.21387	1.1
261.22150	100.0
262.14349	1.9
262.22482	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	262.165
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	0.7
57.03437	1.0
57.37983	0.4
58.06607	0.9
59.05002	8.2
59.07374	0.4
60.07875	0.6
60.08162	8.2
60.12158	0.4
62.77701	0.4
70.06584	0.4
70.66708	1.1
70.67064	0.4
83.04960	0.6
84.08139	0.5
85.02901	100.0
86.03247	0.7
103.03931	0.9
144.10168	2.7
145.04956	11.0
161.02817	0.3
162.04173	0.5
173.38092	0.4
178.02930	0.3
185.08061	1.8
188.39658	0.4
204.12315	0.7
262.16495	52.8
263.16653	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
55.01847	0.9
55.05505	10.5
57.03418	1.1
57.07066	4.4
65.03914	1.4
67.05502	33.1
69.07062	11.4
69.68293	2.3
69.68700	4.7
71.04964	2.6
71.08604	1.6
77.03906	1.2
79.05486	49.4
81.03377	1.1
81.06579	2.1
81.07050	38.3
83.08622	6.0
85.06513	3.0
91.05478	23.3
93.07037	65.3
94.07328	1.2
95.04950	5.3
95.08601	29.0
97.06497	1.8
97.10159	2.0
98.20750	1.9
98.60072	1.1
99.08073	3.9
105.07014	16.7
107.08584	38.7
109.06473	2.0
109.10130	12.6
111.08089	1.6
113.09659	1.1
117.06987	5.9
119.08565	10.1
121.10133	36.2
123.08109	2.4
123.11694	3.9
131.08572	11.7
133.10110	12.1
135.11687	24.1
137.13246	1.5
145.10115	12.8
147.11685	8.9
149.13255	18.2
159.11678	8.8
161.13249	8.5
163.11125	1.2
163.14804	14.8
173.13249	9.7
175.14830	2.7
177.16373	4.4
187.14821	5.8
189.16331	1.4
201.16414	2.6
233.22597	1.8
243.21057	21.7
261.03998	2.1
261.22116	100.0
262.14407	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	261.2213
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03934	1.3
55.05264	0.8
55.05511	10.3
57.03429	1.4
57.07077	2.8
65.03926	1.0
67.05507	27.3
69.07066	10.5
71.04972	2.2
71.08633	0.9
77.03903	0.5
79.05491	42.1
81.07055	36.5
83.04960	1.1
83.08617	5.7
85.06541	3.0
91.04911	0.7
91.05479	20.4
93.07042	55.4
95.04969	4.0
95.08604	25.5
97.06537	3.1
97.10164	2.0
98.20714	1.0
99.08101	3.1
99.87129	0.5
103.05367	0.5
105.04568	0.5
105.07028	13.9
107.08595	36.6
109.06512	1.7
109.10159	12.5
111.08086	2.7
113.09642	1.3
117.07021	5.6
119.07789	0.9
119.08582	12.0
121.06558	0.8
121.10143	33.9
123.08042	1.0
123.11709	4.2
125.09605	0.9
129.06918	0.5
131.08566	10.6
133.09242	0.5
133.10130	10.1
135.08072	1.0
135.11687	24.9
137.09621	1.3
137.13239	1.5
139.11128	0.8
143.08580	0.7
145.10115	11.3
147.11674	9.7
149.09596	0.7
149.13263	22.4
151.11176	0.8
154.60973	0.6
155.07433	0.5
159.11693	9.2
161.13268	10.3
163.11182	0.5
163.14818	17.5
165.12732	1.1
173.13278	10.1
175.14867	3.8
177.16365	4.5
179.14336	1.3
187.14856	5.1
189.16467	1.0
191.17862	0.7
201.16362	3.2
203.17923	0.7
205.15907	0.9
215.17944	1.2
217.19559	1.6
219.17482	0.9
233.22659	1.1
243.21075	30.9
261.22137	100.0
262.22339	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1446
Annotation	H-Leu-Glu-OH
Peak:m/z	Relative Intensity
56.05031	0.9
56.96560	6.8
57.03425	0.7
59.07386	0.8
59.65003	0.6
60.08152	1.2
61.02908	0.7
65.19540	0.6
69.03422	0.8
69.07056	1.4
69.70728	4.1
72.08144	2.3
73.02920	0.8
84.04505	7.2
84.08158	5.9
85.02900	7.3
85.08482	2.3
86.09702	100.0
97.02866	1.5
98.97592	5.1
102.05544	4.3
107.48118	0.6
110.97591	0.7
116.98608	3.8
119.01914	0.9
121.01687	0.6
128.98640	1.8
129.10271	0.9
130.05003	5.3
131.00095	0.7
131.01825	0.6
132.10199	0.7
134.99657	2.0
145.05055	1.2
146.99666	2.1
148.06041	19.8
149.01067	0.6
158.99687	2.2
161.01202	1.0
168.01843	0.6
170.05202	0.8
170.99651	1.2
172.11612	0.9
175.02750	1.2
177.00755	2.7
189.00789	1.4
190.98505	0.8
191.02379	0.7
197.12895	1.6
201.00720	1.4
201.02423	1.2
215.14066	0.8
215.51442	0.7
219.01810	3.6
229.03203	3.5
231.01993	0.9
237.02760	3.6
243.04851	1.0
243.13368	1.5
261.03064	1.8
261.05862	43.6
261.09747	7.6
261.14423	16.7
261.20129	1.6
262.06085	0.7
262.16519	4.5
279.03949	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	261.0582
Annotation	Unknow
Peak:m/z	Relative Intensity
54.69145	0.6
56.05025	1.3
56.96561	6.0
58.81546	0.6
60.08165	0.8
61.02919	0.6
69.03430	0.9
69.07068	1.6
69.96981	2.2
69.97388	1.5
71.04995	0.7
72.08144	1.9
73.08479	0.8
79.25015	0.6
83.04961	0.6
84.04495	7.3
84.08145	6.2
84.96019	1.2
85.02914	3.4
85.08473	2.3
86.09703	100.0
89.12791	0.5
91.05471	0.6
97.02879	0.9
98.97582	6.1
102.05539	4.0
110.97548	1.0
111.04456	0.6
116.98629	3.5
119.01878	1.4
124.50034	0.7
128.98593	1.7
130.05002	5.5
131.00171	0.8
132.10243	1.1
133.01608	0.6
134.99692	2.3
140.98608	0.8
143.00177	0.6
143.11804	0.7
144.12152	1.1
145.03418	0.6
146.99643	1.9
148.04840	1.4
148.06041	22.2
154.95436	0.7
158.99673	1.9
161.01196	1.2
169.01117	1.7
172.11723	1.1
173.01318	0.6
173.06540	0.6
174.99132	1.0
175.02852	1.1
177.00658	3.9
189.00703	1.6
190.98615	0.6
191.02235	0.8
193.00198	1.5
195.53957	1.4
200.02408	0.7
201.00717	1.4
201.02423	1.0
202.76405	0.6
207.01770	1.0
215.14034	1.1
219.01761	3.5
229.03200	3.5
237.02852	5.1
243.04797	2.0
243.13454	1.7
261.03043	2.5
261.05884	52.6
261.09445	8.2
261.14420	16.8
261.20166	1.9
279.03900	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	260.1604
Annotation	H-Ile-Gln-OH
Peak:m/z	Relative Intensity
56.05030	5.5
56.96564	3.1
61.60182	0.9
61.64952	0.9
62.31404	1.0
63.44786	1.2
67.05537	1.1
69.03425	1.3
69.07063	2.8
70.06580	2.0
71.23381	2.2
72.08162	2.7
73.26563	0.9
74.02445	2.3
78.15440	1.0
83.06104	58.3
84.04505	82.4
84.08142	29.0
85.02896	2.4
86.09705	100.0
96.60524	1.0
98.97565	2.6
101.07143	6.2
110.06002	1.2
113.07098	1.3
116.98676	1.7
120.08054	1.3
123.04545	1.1
129.06587	5.9
129.10248	3.1
130.04997	1.6
130.06538	1.8
130.08633	3.1
132.10194	31.1
134.99641	1.4
141.06549	2.1
143.11868	1.8
147.07773	1.0
147.11282	2.3
157.07634	1.5
157.13370	12.0
177.00717	1.9
185.12889	4.3
189.12405	1.2
196.14514	10.9
196.98793	1.0
197.12845	33.4
198.11230	1.4
225.12363	3.7
236.98367	1.2
237.02823	1.9
242.14998	81.7
243.13402	42.3
243.17058	2.0
260.10837	1.2
260.13477	1.9
260.16083	4.9
260.19824	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	261.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96568	2.3
57.03013	0.1
60.95841	0.2
70.61756	0.5
82.99857	0.2
83.04987	0.2
84.96040	0.4
97.10168	0.1
98.97583	7.7
99.97954	0.2
100.97231	0.2
100.97937	0.2
101.00878	1.0
102.96858	0.5
110.97594	0.2
116.98618	7.8
117.99001	0.2
118.98223	0.2
118.99067	0.2
119.01921	7.0
120.02023	0.2
120.97915	0.7
121.10185	0.2
128.98627	0.5
131.00212	0.2
134.99660	6.4
136.00009	0.1
136.99219	0.3
137.02957	2.4
138.98932	0.5
140.00195	0.3
140.98660	0.3
142.03439	0.2
143.00232	0.2
146.99626	0.5
149.01285	0.2
153.00716	1.1
158.01273	0.4
158.99780	1.0
159.01030	0.2
161.01195	0.5
161.03046	0.3
170.99591	0.3
173.01251	0.2
175.03027	0.2
177.00943	12.7
178.01033	0.5
182.99838	0.3
189.00662	0.7
191.02229	0.4
191.03941	0.2
193.04048	0.2
194.94765	0.2
195.01845	0.4
200.02475	0.4
201.00847	1.1
217.04080	2.3
218.03600	0.3
219.01996	20.7
220.02159	0.7
221.01772	1.0
225.00882	2.4
236.95468	0.2
237.02849	0.9
237.98701	0.4
238.05499	0.2
242.03595	0.5
242.98422	0.3
242.99197	0.2
243.01962	6.4
243.21120	0.2
260.04541	0.2
260.99991	3.4
261.03046	100.0
262.03162	3.7
263.03470	0.5
266.03613	0.5
275.04391	0.2
278.96875	1.2
279.00601	7.0
279.03763	0.8
284.01459	0.3
284.04617	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	259.2057
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
55.05508	10.6
58.95760	5.1
67.05531	7.8
69.07066	32.6
71.04993	25.5
71.33887	14.5
77.37414	5.4
79.05474	9.8
81.07064	20.5
83.08619	6.4
85.06537	21.7
91.05507	7.8
93.07019	18.7
95.08617	20.6
97.06553	6.0
105.03396	17.4
105.07026	25.2
107.08598	19.4
109.06520	12.7
109.10153	12.5
111.08073	15.5
117.07053	8.0
119.08549	38.7
121.10172	13.8
123.11722	20.9
127.10035	5.8
131.08578	12.1
133.10138	25.6
135.08044	12.6
135.11676	8.1
143.08575	14.9
145.10127	21.4
147.11703	13.2
151.34119	5.9
157.10109	13.7
159.11717	24.1
160.12413	6.2
161.13257	23.2
167.99919	5.7
171.11732	19.1
173.13277	8.6
175.14819	72.6
185.13243	17.0
201.14589	6.8
201.16409	18.2
203.14287	6.5
219.27544	6.5
241.19568	9.5
259.11276	7.0
259.20593	100.0
259.23672	7.7
259.24316	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	259.0966
Annotation	Isorhapontigenin
Peak:m/z	Relative Intensity
52.65093	0.6
53.03922	1.0
54.15302	0.6
54.52457	0.5
55.01876	5.8
55.05510	2.7
56.96566	2.0
57.03431	2.2
57.07073	0.8
58.21170	0.5
61.02905	0.6
65.03958	0.8
67.05505	5.6
69.03429	3.5
69.07068	18.1
70.32004	0.5
70.74044	1.1
70.74381	1.5
71.04984	1.1
71.08627	0.6
79.05498	15.1
81.03419	1.5
81.07050	3.9
83.04980	0.7
83.08617	1.5
85.02901	1.3
85.06531	1.1
89.03914	5.2
91.05473	2.6
93.07040	2.0
95.04970	2.4
95.08625	4.6
97.02904	1.4
97.06533	100.0
97.10178	0.9
98.97576	1.2
100.01566	0.6
105.03401	1.2
105.07050	3.0
107.04971	1.6
107.08566	2.8
109.02845	0.6
109.06555	0.8
109.10165	2.3
116.98609	1.7
117.03373	5.9
117.07046	0.9
119.04966	1.3
119.08581	3.9
121.06506	1.0
121.10162	2.0
127.03890	0.7
129.06996	1.0
131.08565	2.5
133.02849	3.5
133.10127	2.8
134.99704	1.0
135.04434	8.9
135.11685	1.0
139.11182	0.7
141.06935	0.8
141.26424	0.8
142.07793	1.1
143.08543	0.8
145.02859	6.1
145.10146	2.5
146.99706	0.8
147.04498	1.3
147.11723	1.6
149.13272	1.3
151.03894	0.6
156.09319	0.7
157.06470	0.7
157.10129	2.5
159.04420	3.5
159.08113	0.6
159.11713	4.1
161.02350	13.4
161.13254	1.1
163.03906	47.5
163.14809	0.9
171.11722	2.2
173.02351	36.1
173.13269	1.9
177.05528	0.6
185.05951	0.8
185.13303	1.8
188.89111	0.6
195.08080	0.8
197.05965	1.0
199.11285	0.8
199.14809	1.9
201.16373	4.8
204.08316	1.9
215.07025	48.0
217.04999	2.5
219.09058	1.4
225.08835	0.9
238.07715	3.5
241.08609	2.1
241.12212	0.9
241.19583	2.0
246.24805	0.7
247.08350	2.0
258.59100	1.1
258.65063	0.7
259.09665	32.5
259.16953	1.8
259.20587	7.6
259.24149	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	0.9
55.05487	1.3
56.05005	1.1
56.96564	5.5
57.03406	1.3
58.99558	0.8
61.02891	0.9
67.04214	1.8
67.05479	1.6
69.03397	2.2
69.07029	1.8
70.06561	2.5
70.37077	2.7
72.08138	1.6
73.01099	0.7
74.00661	6.1
74.06056	1.1
81.03391	1.1
81.07028	1.2
83.04923	1.6
84.04518	3.1
84.08147	6.3
85.02869	3.0
86.09702	4.4
91.05460	0.8
97.02858	2.5
97.06512	0.7
98.97593	3.2
100.02203	83.9
101.02499	0.8
105.03335	0.8
105.06984	0.6
107.04948	0.8
110.05997	0.9
112.07593	0.7
113.05998	0.6
114.05498	0.9
115.05372	0.7
116.98596	2.1
118.03254	4.1
119.08555	1.1
121.10135	1.0
123.11735	0.7
125.09502	0.8
127.03954	0.9
127.05931	0.9
128.07077	1.3
128.98616	1.4
129.05515	0.7
129.10248	6.5
130.05003	0.8
130.06522	0.7
130.08649	1.7
130.10622	0.7
134.99646	2.2
146.02707	100.0
146.99640	1.6
157.07642	1.0
158.99660	1.4
161.01216	0.9
161.04649	1.2
161.05959	1.1
169.04565	1.0
177.00716	8.2
187.07550	1.4
191.02315	0.9
195.01814	3.0
198.02223	1.5
213.06963	24.4
217.00157	1.5
221.86380	0.7
231.02818	1.4
231.06480	1.2
235.01302	4.6
237.02962	1.1
249.56485	0.8
259.07593	39.7
259.10156	3.9
259.13171	1.7
259.16855	1.6
259.20544	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	258.1451
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	0.4
55.01866	0.8
55.05513	1.5
56.05037	2.1
56.96566	6.7
57.03440	0.6
57.07074	0.5
58.06580	0.5
60.04533	0.5
60.95854	0.4
61.02927	3.3
61.03196	0.6
63.94120	0.5
69.03423	2.6
69.07074	0.8
69.96613	2.8
70.06593	2.7
70.81524	0.4
72.08158	1.6
72.93781	0.7
73.02914	2.0
73.06557	1.6
74.00668	1.6
74.97604	0.5
81.03397	1.0
81.07080	0.7
82.06583	0.9
83.06110	0.7
84.04506	19.2
84.08144	77.9
84.96012	0.5
85.02902	3.9
85.06528	0.5
86.09728	1.5
90.94804	0.4
94.06596	0.8
95.04953	0.5
95.06110	0.4
95.65384	0.5
97.02891	2.3
97.06510	0.6
98.97588	4.8
99.04477	0.4
100.02201	16.2
101.10787	2.2
101.50868	0.4
102.05608	0.7
107.04960	0.6
108.04452	0.5
109.02847	0.4
110.97566	0.6
111.09196	1.3
116.98637	4.5
117.01864	0.5
118.03239	0.4
119.01822	0.7
120.32701	0.4
125.07041	0.9
126.05522	3.2
127.03918	1.0
128.98601	1.4
129.10242	100.0
130.05011	5.9
130.10579	0.5
131.00125	0.5
132.95831	0.4
134.99672	2.5
135.04466	0.5
141.01242	0.6
145.69356	0.4
146.02719	16.6
146.03931	1.0
146.99664	1.6
147.03270	0.6
148.02005	0.5
149.10797	0.5
151.64339	0.5
152.01706	0.4
153.00793	0.6
155.04657	7.0
155.54788	0.8
157.02496	0.5
158.02850	0.5
158.97514	0.5
158.99585	2.2
161.01199	0.8
163.02785	0.9
164.05167	3.5
165.00726	0.8
165.04279	0.5
166.55492	1.2
167.08435	0.5
168.01814	0.5
168.05408	1.1
174.00827	0.5
174.99136	1.5
175.55954	0.6
177.00708	3.6
177.02069	0.7
177.04271	1.2
177.06042	1.3
180.01149	2.4
180.06586	0.6
186.02213	1.3
193.00241	3.1
194.03365	0.7
194.12967	0.6
195.01744	0.8
195.11250	3.5
200.15312	0.4
205.05466	0.7
207.01758	0.5
208.87907	0.5
212.03743	1.6
213.03427	0.9
213.06958	3.9
217.00125	0.6
217.05092	0.6
219.01927	0.5
219.05293	2.2
226.01665	1.5
231.03065	0.5
234.59361	0.7
234.98956	1.8
235.01250	1.2
237.02817	1.3
240.08543	0.6
240.13528	2.8
241.11902	1.0
249.06213	3.9
258.00449	0.8
258.04498	0.9
258.09656	4.3
258.14511	5.6
258.17032	2.8
259.04547	0.8
259.07550	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05511	9.1
56.96556	2.0
57.07072	3.1
64.08927	1.7
67.05508	20.1
69.07047	5.7
70.89182	4.4
71.04995	3.6
73.00765	1.5
79.05486	6.7
81.07063	10.7
83.04972	2.8
83.08621	3.4
88.07652	1.9
90.09190	2.1
91.05470	10.9
91.71030	1.8
93.07034	6.3
95.04961	2.3
95.08591	9.7
97.06521	2.5
97.10153	1.5
103.05441	2.3
105.07015	15.2
107.04922	1.8
107.08594	7.4
109.06533	3.2
109.10154	10.1
117.07008	12.8
119.04946	1.8
119.08580	13.3
121.06470	2.4
121.10144	18.7
128.06219	2.4
129.07018	9.6
130.07736	2.1
131.07588	2.2
131.08572	27.6
133.06499	3.8
133.10123	9.8
134.99649	3.7
135.08090	8.0
135.11678	3.4
137.05989	1.9
137.09610	2.0
141.06982	3.7
142.07800	4.0
143.08574	17.9
144.09248	2.0
145.10123	63.7
147.11649	3.8
149.09607	2.4
154.07788	2.5
155.08539	6.6
156.09377	2.1
157.10104	15.4
159.08055	2.8
159.11694	22.8
161.09656	2.7
161.13324	2.4
163.11156	1.7
169.10085	9.1
171.11707	16.3
173.09677	1.7
173.13287	19.9
174.14066	3.2
175.11302	1.9
175.14838	2.6
177.12842	1.9
182.10875	2.2
183.11662	12.7
184.12427	2.1
185.13248	4.5
187.11206	4.9
187.14816	3.6
197.13242	12.5
199.14789	12.8
201.12778	3.7
201.16556	1.9
209.13373	1.6
211.14720	2.4
213.16373	5.8
215.17981	3.1
239.17970	20.2
257.04395	6.2
257.11639	12.0
257.19016	100.0
257.26608	9.3
258.19437	2.8
258.27994	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05500	6.5
57.07067	5.5
67.05504	8.8
68.33976	1.6
69.07059	6.4
69.46667	1.8
69.49064	16.2
70.06596	2.0
70.59944	1.9
71.04963	4.9
71.08626	1.9
73.62378	1.8
75.31995	1.9
79.05482	6.2
79.06448	1.6
81.07047	8.0
83.08606	3.4
85.06541	2.8
88.07621	4.4
90.09196	2.9
91.05466	9.5
93.07047	18.4
95.04957	3.6
95.08621	14.0
99.08093	2.3
102.09158	2.4
105.07048	23.4
107.08588	17.5
109.06511	8.5
109.10139	11.4
111.08089	2.8
115.76235	1.8
117.06981	10.0
119.08584	19.5
121.06501	2.3
121.10145	61.9
122.41624	2.0
123.08064	6.0
129.06984	8.6
131.08586	18.7
133.10139	10.7
135.08051	17.9
135.11694	3.3
137.09613	5.2
141.06979	4.4
142.07764	4.5
143.08565	18.8
145.10112	26.7
147.11696	4.8
149.09637	4.1
155.08569	5.6
157.10098	19.5
158.10954	2.2
159.08041	2.2
159.11693	19.5
161.13261	4.0
163.11192	3.2
168.09355	2.0
169.03479	20.9
169.10088	10.3
171.01443	3.6
171.11713	18.5
173.13235	21.6
175.14870	2.4
176.03236	1.7
183.11658	13.5
184.12436	3.5
185.13268	2.8
187.11197	5.0
187.14873	4.0
192.04977	2.0
197.13255	10.4
199.14822	29.3
201.12714	7.7
207.52480	2.1
213.16365	8.2
215.14389	2.3
215.17996	3.2
235.11771	7.0
239.17982	21.5
241.59846	1.9
241.62740	1.7
257.19019	100.0
257.22336	4.9
257.26663	41.1
258.27927	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	257.19
Annotation	3-Deoxyestradiol
Peak:m/z	Relative Intensity
55.05496	8.6
57.07049	3.1
58.88956	3.3
62.74870	3.2
65.74284	2.8
67.05503	21.2
67.51040	2.7
69.07063	4.3
70.08361	8.3
70.08760	5.3
79.05486	8.2
81.07056	14.5
83.04985	4.7
91.05481	12.6
93.07053	11.4
95.04954	3.5
95.08619	20.4
97.06544	3.3
105.07033	18.2
107.08607	8.2
109.06487	3.0
109.10160	9.6
112.83114	2.9
115.05486	3.2
117.07018	23.3
119.08610	18.4
121.10155	8.6
123.08077	4.1
123.59241	2.7
129.07001	11.4
131.08565	32.8
133.10092	14.2
135.08006	3.5
135.11668	3.2
137.09668	4.5
138.95145	2.8
140.06859	6.0
141.07002	3.4
143.08574	11.7
145.06494	4.3
145.10123	76.5
147.07928	2.8
147.11676	3.3
151.11192	3.9
155.08537	9.1
157.10159	17.2
159.08089	3.6
159.11690	34.1
161.09654	4.8
161.13268	3.3
163.11140	5.2
169.10115	8.2
171.11702	18.7
173.09593	8.3
173.13226	13.1
175.11220	7.3
175.14751	3.8
183.11711	12.4
185.13333	3.9
187.11217	6.8
197.13216	12.1
211.14861	5.3
213.16341	9.9
215.17905	6.4
229.19406	3.6
239.17972	37.4
257.19022	100.0
257.22629	11.2
257.26617	4.2
258.19522	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	257.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.6
55.01870	4.3
55.05504	5.9
56.96551	4.7
57.03444	12.4
57.07069	2.3
61.02926	2.6
65.03939	2.0
65.44506	1.9
67.05495	9.7
69.03419	10.2
69.07051	4.1
70.06589	2.2
71.04987	7.5
71.33545	2.7
71.33885	2.0
73.02912	4.2
75.04467	3.9
79.05497	9.2
81.03391	2.4
81.07066	8.7
83.04976	33.9
83.08652	2.1
85.02896	13.4
87.19464	1.7
91.05493	8.8
93.07047	6.3
95.04958	9.4
95.08608	8.6
95.09188	1.9
97.02876	3.9
97.06519	3.9
98.97585	7.5
99.04449	5.3
105.07025	35.8
107.04961	6.0
107.08602	6.3
109.06508	6.0
109.10188	4.5
111.04444	23.6
113.05950	2.2
115.03947	2.1
116.98618	6.4
119.01865	2.2
119.08578	8.1
121.06467	5.2
121.10142	2.5
122.03606	4.0
123.04445	2.1
123.08041	4.4
125.06046	2.6
125.07056	2.2
127.04005	2.0
129.05440	3.5
131.08575	3.7
133.06496	49.2
133.10060	4.3
134.99664	2.6
135.08052	6.9
135.11740	2.3
137.05978	100.0
137.09595	4.5
145.10199	3.1
147.11681	3.4
149.09674	2.4
151.07541	3.8
152.07091	2.9
153.04375	2.7
153.05421	12.4
155.08592	3.2
158.97374	3.5
158.99599	2.3
159.11719	2.9
163.07518	5.0
165.09122	29.8
173.09537	2.1
175.07558	3.5
175.11229	4.4
176.98470	2.1
177.00674	5.5
177.09106	2.3
179.07022	2.3
179.10612	1.8
181.08557	3.2
183.07996	3.7
183.10176	7.6
193.12248	2.4
208.40839	1.9
211.07417	4.7
219.01584	2.8
220.08070	2.1
221.11757	6.6
221.15361	2.5
234.98959	9.3
237.02649	1.8
239.09114	5.6
239.12947	2.4
257.07837	4.2
257.10129	2.7
257.12756	5.7
257.15518	2.5
257.18842	11.6
257.22458	4.3
258.00555	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
55.05508	2.3
56.96561	1.2
57.07083	1.2
65.03934	3.5
65.63691	0.6
66.58597	0.6
66.59261	0.6
67.05497	4.2
67.55154	0.6
69.03427	0.8
69.07059	2.3
71.04990	1.1
71.08636	1.0
79.05489	2.4
81.07044	3.3
82.02912	0.9
83.04977	0.8
83.08617	1.1
85.06529	1.0
91.05475	1.9
92.04993	3.8
93.07047	2.4
93.34622	0.8
94.06561	1.7
95.04997	1.0
95.08611	4.8
97.06521	1.3
97.10152	1.1
98.21525	1.4
99.08085	0.8
105.07032	2.9
107.08584	2.8
109.10160	2.6
116.98663	0.8
117.06996	1.2
118.06536	1.1
119.08601	2.6
120.04469	1.7
121.06498	0.7
121.10136	1.9
122.06022	3.3
123.04417	1.0
123.11727	1.2
125.51937	0.7
129.07031	1.5
130.06516	0.9
130.63287	0.7
131.08597	2.9
132.08145	0.9
133.10133	2.0
134.06020	1.2
134.99675	1.0
135.06798	0.8
135.08063	0.8
136.07478	0.8
137.09637	0.9
138.09227	0.8
141.07021	0.9
142.07814	0.7
143.08548	1.5
144.08154	0.9
145.08902	0.9
145.10091	2.8
146.06003	0.8
150.09103	0.9
152.07193	0.9
155.07317	0.9
155.08517	1.0
157.08897	0.9
157.10143	2.3
159.09213	1.6
159.11740	1.9
160.07643	1.3
160.11201	0.7
164.07085	2.0
165.07027	1.2
167.08653	0.8
168.08047	1.9
168.09375	0.9
169.08894	3.6
169.10191	1.5
170.09595	0.8
171.09164	1.4
171.10429	1.9
171.11716	1.6
172.07584	2.2
172.09964	2.1
173.13290	1.9
175.14749	0.9
183.09259	1.4
183.11627	0.7
184.07591	2.5
184.11197	5.8
185.07111	2.1
185.10736	3.2
186.11482	8.1
186.12874	1.1
187.08698	3.4
188.10764	1.2
197.08351	5.8
197.13257	2.0
198.09274	1.2
199.08606	5.3
199.14842	3.0
200.09428	10.9
201.10307	2.2
201.13876	11.7
201.15999	0.8
201.16420	0.8
202.12288	2.0
203.03436	0.9
211.08650	2.1
212.10706	11.0
213.06621	6.6
213.10147	5.9
214.07320	1.3
214.10698	5.3
215.14362	0.9
224.09460	1.0
225.07770	0.9
227.08205	5.6
227.11667	0.8
228.08897	13.6
229.09843	15.4
229.13358	41.5
237.10497	1.0
239.11713	1.3
239.18147	1.8
240.10204	2.4
241.09709	8.2
242.10469	18.9
257.04462	2.1
257.12863	100.0
257.22568	2.8
257.26706	1.1
258.11060	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	257.1285
Annotation	Albonoursin
Peak:m/z	Relative Intensity
50.33376	0.6
55.05495	1.2
57.07074	1.0
65.03940	3.8
67.05495	2.5
69.07050	1.3
69.46635	4.3
69.47052	1.1
75.43221	0.6
79.05479	0.8
81.07078	1.8
82.02916	0.6
89.18623	0.6
89.77302	0.6
91.05473	1.0
91.76563	0.6
92.05025	3.7
93.07040	0.7
94.06570	1.6
95.04975	1.3
95.08604	1.3
99.16048	0.7
105.07040	1.4
107.08521	1.0
107.34782	0.6
108.08063	1.0
109.06512	0.7
109.10153	1.3
110.06084	0.9
115.05449	0.7
119.08578	1.4
120.04450	2.9
120.08080	0.6
122.06034	2.3
129.07022	1.5
130.06525	1.1
131.08525	1.5
132.00549	0.7
132.08066	0.8
134.06003	0.9
134.99615	0.7
136.07556	0.8
136.55170	0.6
141.06938	0.8
142.07755	0.7
143.08545	0.8
144.08107	1.5
145.08926	1.0
145.10103	1.5
146.20007	0.6
147.11656	0.9
154.06503	1.6
155.07281	1.0
156.08124	1.8
157.08936	0.9
158.06041	1.2
159.09180	1.0
159.10451	0.7
159.11694	1.0
160.07594	2.3
167.08517	0.8
168.08133	1.7
169.08878	4.8
169.10060	0.9
170.06013	0.7
170.09505	0.7
171.09175	2.3
171.10483	1.1
172.07661	1.6
172.09978	3.0
173.10857	0.7
173.13223	1.1
179.12709	0.7
182.06023	1.5
183.06746	1.8
183.09259	1.6
183.11650	0.8
184.07651	3.2
184.11217	6.9
185.07042	1.5
185.10701	4.3
186.07816	0.8
186.11505	8.6
186.12914	1.0
187.08701	2.0
188.10760	1.1
196.07603	1.6
196.09904	1.3
197.08363	7.1
199.08559	6.8
199.10153	0.6
199.14861	0.9
200.09433	13.8
200.13202	0.8
201.10210	2.6
201.13881	10.6
211.08743	3.1
211.12373	0.8
212.10739	12.5
213.06665	7.9
213.10205	8.6
214.07419	1.2
214.10823	5.9
224.09451	2.3
227.08138	7.7
227.11647	0.9
228.08902	22.8
229.04736	0.8
229.09805	21.4
229.13348	41.3
239.11835	2.6
239.18034	1.2
240.10307	4.9
241.09732	16.2
242.10512	35.6
256.11771	0.8
257.12866	100.0
258.13181	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	257.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70865	0.5
53.03946	0.8
55.05510	1.3
57.07071	0.5
62.56055	0.5
65.03937	3.2
67.05513	2.6
68.58507	0.5
69.07060	1.3
71.55313	0.5
79.05483	0.7
79.69313	0.6
81.07036	1.6
82.02917	0.6
83.04982	0.5
83.08610	1.0
91.05474	0.7
92.04997	4.0
93.07025	1.1
94.06544	1.8
95.05002	1.2
95.08596	1.3
98.20798	1.2
98.51698	0.5
105.07022	1.4
107.08591	0.7
107.16017	0.6
108.08098	0.8
109.06491	0.6
109.10129	0.9
110.06034	0.7
117.06990	0.8
118.06611	0.5
119.08574	1.3
120.04478	2.2
120.08134	0.6
121.10111	0.7
122.06019	2.2
124.07559	0.9
128.06200	0.7
129.06989	1.1
130.06505	0.8
131.07274	1.1
131.08597	0.9
132.08093	0.8
136.07578	0.9
141.06967	0.9
142.06578	0.6
142.07680	0.6
143.08510	0.9
144.08049	0.7
145.10091	1.5
146.06029	1.1
150.09100	0.9
154.06563	1.6
154.07776	0.6
155.07349	0.7
156.08064	1.1
157.07574	0.7
157.08885	0.7
157.10152	1.6
158.06053	0.8
159.09233	0.8
159.11723	0.7
160.07579	1.9
163.08716	0.9
166.06544	0.5
168.08072	2.4
169.08882	4.7
169.10133	1.0
170.06036	0.9
170.09689	0.8
171.09143	1.5
171.10437	1.2
171.11731	1.0
172.07558	1.3
172.09962	2.3
173.10776	0.8
181.08923	0.6
182.06071	1.2
183.06787	2.0
183.09109	2.6
184.07660	3.9
184.11229	6.3
185.07120	1.6
185.10744	3.7
186.11516	7.3
186.12949	0.8
187.08661	1.8
188.10744	0.7
195.09212	0.9
196.07686	0.9
196.09920	1.8
197.08363	7.7
197.13232	0.7
198.09212	1.0
199.08607	6.8
200.09427	13.0
200.13191	0.7
201.10199	3.3
201.13863	9.9
202.12318	0.9
211.08714	2.3
211.12312	1.6
212.08824	0.7
212.10728	11.1
213.06606	8.2
213.10208	7.4
214.07384	2.2
214.10866	7.7
223.17740	0.5
224.09465	1.5
227.08177	8.4
228.08896	22.1
229.09789	21.7
229.13341	37.3
230.13751	0.9
232.30009	0.5
239.11728	3.3
239.18022	1.0
240.10191	4.7
241.09724	14.1
242.10507	30.9
257.12869	100.0
258.13257	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	256.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.4
55.01876	13.7
55.05504	4.6
55.18951	1.8
56.96565	53.1
57.03435	30.7
59.04992	6.1
61.02929	30.2
69.03123	2.8
69.03431	28.2
69.91269	6.4
69.91682	5.3
70.06593	4.5
70.98112	3.5
71.01367	6.3
71.04986	9.7
71.95263	2.4
72.04503	2.0
73.02921	19.4
74.06070	2.3
74.97637	2.6
75.04450	3.0
81.03412	9.1
82.94017	2.0
83.01340	3.1
83.04972	5.2
84.08140	2.2
84.96022	5.5
85.02905	64.4
85.03421	3.2
85.06537	3.2
86.06037	2.3
86.09704	3.5
87.00832	2.8
87.04450	13.5
87.38483	2.1
88.99178	2.9
89.02397	5.7
91.02346	2.4
91.03961	2.5
94.87505	2.0
95.01333	3.5
97.02883	32.7
98.97576	54.6
98.98204	3.9
99.04451	8.3
101.02363	19.1
103.03986	2.2
105.02063	2.7
106.02883	2.3
108.04210	2.2
109.02885	6.7
109.05004	3.1
110.01276	2.9
110.97591	4.5
111.02873	2.2
112.99159	3.2
113.02381	3.9
114.04233	2.0
115.02460	2.0
115.03914	27.6
116.98620	40.2
117.01812	2.8
117.03979	2.8
117.04748	2.6
118.02830	2.9
119.01842	10.4
119.03409	2.5
123.05553	7.6
124.03950	100.0
124.05882	7.3
127.03931	21.2
128.02299	3.5
128.98630	8.3
129.01860	23.6
131.00217	5.0
131.01851	3.5
131.05586	5.3
133.03452	7.3
133.04916	10.2
134.99644	16.5
142.96521	3.0
143.00197	6.7
143.01891	2.7
143.03441	13.8
145.01608	4.1
145.03461	3.1
145.03810	3.3
145.04944	20.9
146.55017	2.3
146.99648	7.1
148.03873	3.6
149.01221	2.5
149.06612	7.6
150.01794	4.4
152.53915	2.6
152.55090	3.8
153.00604	3.0
153.05795	40.5
153.55881	9.9
155.01950	2.6
157.01329	17.7
158.01318	2.2
158.99670	7.1
159.03206	2.0
160.04813	2.6
160.97639	2.1
161.01237	8.5
161.03065	4.7
161.04456	22.3
161.06583	11.5
161.54442	7.7
161.55627	2.8
162.03613	21.3
162.06319	25.8
162.56377	5.6
163.02878	4.7
163.04417	12.4
163.05913	4.3
165.00661	3.3
169.04352	13.2
170.05190	6.2
171.01550	2.5
171.02895	7.0
171.04155	9.5
172.97523	3.9
174.99207	3.4
175.05367	2.8
177.00722	7.3
177.04236	4.6
179.02309	4.6
179.07645	3.4
182.03334	3.0
184.02846	2.5
188.97050	4.0
189.02242	4.4
189.03934	71.4
190.98616	10.9
191.02275	2.8
193.00221	3.7
197.03854	3.0
198.00967	2.4
200.97169	3.4
201.00729	2.2
201.05835	2.6
203.02243	9.4
203.03815	2.9
203.05521	23.6
203.07394	3.9
204.02911	3.0
205.00156	3.1
208.99741	3.5
212.04166	3.0
213.03452	2.9
215.07620	2.6
218.98242	2.8
219.01736	3.8
221.03236	3.8
221.06668	8.4
223.01265	2.4
224.07864	4.4
232.99641	3.1
235.02885	4.3
237.02806	5.7
239.10768	2.2
251.00476	5.2
251.02612	6.6
256.02969	4.6
256.05206	5.6
256.07758	3.4
257.06104	3.0
274.04092	2.4
274.97519	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	255.159
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05508	27.6
57.03436	43.4
57.07067	6.7
60.02362	2.6
65.03915	3.6
67.05503	70.8
69.07062	30.8
71.01350	3.5
71.04993	8.3
71.08622	3.9
71.59807	3.8
79.05491	57.1
81.03413	9.7
81.07061	43.0
83.04980	21.2
83.08613	9.7
85.06553	7.8
86.93977	2.6
91.05473	30.4
93.06467	5.4
93.07043	78.3
95.04967	9.5
95.08614	18.5
96.83981	2.5
97.06542	21.4
97.10175	17.1
98.98454	26.8
99.04488	2.9
99.08075	5.8
105.07026	11.8
107.08591	48.7
109.06498	3.3
109.10143	10.5
111.04326	3.1
111.08101	3.4
117.07024	10.8
119.08567	12.8
121.06486	3.9
121.10139	12.2
124.03941	2.6
125.09623	5.7
129.07022	5.9
131.08539	2.8
131.88300	3.2
133.10132	10.9
135.11682	100.0
137.09607	4.8
143.08563	10.2
145.10124	16.9
153.12677	3.4
155.08588	3.9
157.10078	5.8
159.11754	3.5
163.11137	15.5
169.10078	4.3
171.11691	6.6
173.13239	4.0
181.10068	2.8
181.12263	18.2
185.09702	5.8
185.13275	4.6
195.11787	3.5
199.11255	4.0
211.14806	3.6
213.16423	4.8
227.17967	4.4
237.16608	3.4
255.06474	6.0
255.15956	62.3
255.17847	19.9
255.20808	4.2
255.23250	5.6
256.26364	7.2
259.34097	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	255.1742
Annotation	3-Deoxyestrone
Peak:m/z	Relative Intensity
53.03955	1.2
55.01859	1.4
55.05513	7.2
55.74026	0.9
56.96564	1.6
57.03437	4.1
57.07070	2.7
59.04980	1.1
67.05499	8.3
69.03419	1.3
69.07076	7.4
70.61407	2.4
70.61809	1.4
71.04988	2.1
71.08590	1.3
79.05489	10.0
81.03438	1.2
81.07047	9.1
83.04985	3.4
83.08651	2.1
85.06548	3.0
91.05469	6.1
93.07051	10.9
95.04984	2.9
95.08601	4.6
97.06541	3.9
97.10164	2.3
98.98462	7.5
105.07044	8.8
107.08604	10.9
109.06521	3.1
109.10161	4.2
111.08073	1.7
117.07040	1.5
119.08582	9.1
121.06548	1.2
121.10156	3.4
123.08083	2.0
125.06049	1.0
125.09653	1.3
127.03971	1.2
128.06253	2.2
128.23343	0.9
129.07010	3.1
130.07814	1.0
131.08572	4.7
133.10132	6.5
135.08083	2.8
135.11710	10.2
137.13231	1.0
141.06996	2.2
142.07771	4.3
143.08548	10.1
145.10106	5.7
147.08031	1.3
147.11687	1.0
149.09634	2.3
153.07014	1.7
154.07729	1.3
155.08563	6.2
156.09329	10.2
157.10118	14.8
157.11304	1.3
159.11626	5.3
161.09650	2.7
163.11229	2.0
165.07011	3.0
166.07722	0.9
167.08667	3.6
168.09396	1.5
169.10110	10.1
170.10921	2.7
171.08165	1.4
171.11685	24.2
171.13116	1.2
173.09659	2.6
173.13318	5.3
175.11206	1.7
178.75258	1.0
180.09389	2.8
181.10135	5.5
181.12306	2.0
182.10892	8.2
183.11676	8.3
184.12399	1.1
185.09608	2.9
185.13254	7.1
187.11201	2.8
193.10188	2.8
194.10925	2.1
195.11705	10.2
196.12523	3.5
197.09592	1.2
197.13260	35.3
198.10378	1.0
198.14003	2.0
199.11197	9.6
199.12874	1.1
199.14883	1.6
206.05446	1.1
207.11674	7.0
208.12456	1.7
209.13336	3.8
211.11267	2.3
211.14812	11.3
212.11946	1.0
212.15593	8.6
213.12819	7.4
213.16377	18.9
214.13486	2.3
222.13989	5.2
225.12852	2.9
226.13600	1.5
227.17953	2.2
237.16386	13.1
240.15079	2.1
255.03653	0.9
255.06500	2.0
255.17509	100.0
256.17828	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
53.03939	3.0
55.01854	4.3
55.05512	28.9
56.96561	4.0
57.03439	46.1
57.07064	7.2
60.07778	2.1
67.05506	63.7
69.03408	2.9
69.07063	24.1
71.01345	5.5
71.04989	8.0
71.08630	4.1
79.05063	4.3
79.05495	57.9
79.05959	3.2
81.03416	7.1
81.07059	36.3
83.04990	18.3
83.08611	11.3
85.06532	6.0
90.46017	2.0
91.05479	24.2
93.07047	74.3
94.86851	2.4
95.04957	9.5
95.08616	15.5
97.06538	23.8
97.10174	16.2
98.98460	23.3
99.08105	2.9
105.07026	11.0
107.08591	45.5
109.06501	3.9
109.10164	10.5
111.08076	4.1
117.07007	7.7
119.08582	12.0
121.10115	10.7
125.09608	3.7
133.10127	5.8
135.08058	2.8
135.11694	100.0
145.10100	18.1
150.96753	2.6
157.10075	3.3
159.11617	2.9
163.11159	17.8
165.06824	2.5
181.12238	22.6
197.13307	3.5
199.13312	3.1
221.15231	2.3
255.15756	57.0
255.21225	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	255.1591
Annotation	Gliocladic acid
Peak:m/z	Relative Intensity
53.03923	2.9
55.01871	7.3
55.05513	32.6
56.96534	5.6
57.03438	43.8
57.07074	8.7
59.04984	3.8
65.03892	1.7
67.05505	75.8
69.03399	2.7
69.07070	29.9
71.01321	4.9
71.04989	9.9
71.08615	3.7
71.59039	2.9
79.05493	53.9
81.03402	9.2
81.07057	46.2
83.04984	21.3
83.08617	12.2
85.02898	2.7
85.06496	6.4
85.10146	1.7
87.04429	2.8
91.05488	26.8
92.87414	1.5
93.07045	73.6
95.04974	8.4
95.08603	29.9
97.05923	1.9
97.06524	29.9
97.10175	20.1
98.97536	4.4
98.98460	16.2
99.04400	2.8
99.08049	4.6
101.05969	1.8
105.07023	13.1
107.04922	2.3
107.08597	56.0
107.09287	2.0
109.06473	4.8
109.10159	23.5
111.04409	4.5
111.08024	6.0
113.05991	2.9
115.05402	2.7
116.98647	2.1
117.07005	7.5
119.08572	15.5
121.06502	3.5
121.10151	25.5
123.08021	2.9
123.11626	6.2
125.05929	7.2
125.09621	8.4
128.06195	2.0
131.08527	5.1
133.10156	10.3
135.08029	3.8
135.11694	100.0
137.09547	3.7
139.07520	8.3
143.08496	4.7
145.10115	21.3
147.11601	5.3
149.13184	3.7
153.12721	4.5
156.09337	2.2
157.10046	6.1
159.11600	6.4
161.13252	2.4
163.11177	15.7
167.07048	3.7
167.08490	1.8
170.19145	1.5
171.11601	5.6
173.13199	4.4
177.00681	3.0
177.12767	2.6
181.10663	2.0
181.12234	19.5
183.11604	2.3
185.13179	3.0
186.13896	1.7
191.10518	2.0
191.14232	5.1
195.11621	3.5
197.13158	3.6
199.13188	2.3
199.14792	3.0
209.13252	1.9
211.14735	1.9
213.16246	2.4
219.13702	7.1
219.21014	3.3
237.14644	5.2
237.18341	4.5
237.22095	2.6
255.06227	4.3
255.11508	2.7
255.15762	53.6
255.21037	27.8
255.23331	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	3.2
54.27416	1.3
55.01865	4.8
55.05509	28.9
56.96555	3.0
57.03439	37.5
57.07074	11.6
65.03944	2.0
67.05505	62.0
69.03415	2.7
69.07071	28.8
71.01347	7.7
71.04993	12.8
71.08611	1.8
71.60880	2.5
73.02892	1.5
79.05063	2.9
79.05499	53.7
81.03415	8.7
81.07056	42.4
83.04987	23.2
83.08618	7.5
85.02895	3.5
85.06529	7.7
89.36826	1.6
91.05483	25.7
93.07043	78.5
95.04981	9.5
95.05515	2.1
95.08608	23.0
97.02888	1.5
97.06532	22.5
97.10172	16.6
97.51381	1.5
98.97602	4.2
98.98467	18.3
99.04438	2.5
99.08079	4.0
105.04491	2.0
105.07039	12.1
107.05000	1.6
107.08593	48.1
109.06540	4.0
109.10159	17.7
111.04441	3.4
111.08101	4.4
111.11769	1.8
113.06019	1.5
116.98665	2.0
117.07018	7.1
119.08585	15.3
121.06482	3.6
121.10159	16.7
123.08057	3.4
123.09360	1.4
123.11713	4.3
125.09641	5.6
127.03989	2.6
129.07010	2.4
131.08617	3.8
133.10109	12.9
134.99638	2.5
135.08046	2.4
135.11696	100.0
137.09592	3.4
137.13243	2.0
139.07565	1.9
139.11169	2.3
143.08553	4.3
145.10109	20.7
147.11676	4.0
149.02428	2.2
149.09631	2.6
149.13264	6.2
153.12743	6.0
155.08617	2.0
156.13821	2.1
157.10094	2.8
159.11699	3.7
163.03900	1.5
163.11137	15.7
171.11693	3.9
173.13272	3.3
177.00725	4.0
177.12791	2.2
181.10359	2.0
181.10612	2.4
181.12242	16.7
181.15764	1.7
182.11742	1.9
185.09595	3.4
185.13164	2.2
195.11812	1.7
197.13278	3.4
199.13286	3.7
199.14963	2.0
200.11729	1.8
209.13225	2.5
211.14793	4.0
213.12743	1.7
213.16336	2.5
219.13795	1.6
219.17424	4.2
219.21066	1.7
237.02832	2.5
237.18503	5.6
255.06555	12.1
255.10278	3.6
255.15669	53.1
255.21129	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	255.1591
Annotation	Russulanorol
Peak:m/z	Relative Intensity
51.64384	1.5
53.03907	2.8
55.01836	5.1
55.05511	27.7
56.96538	3.0
57.03437	46.9
57.07037	7.8
57.54212	1.6
58.41590	1.8
63.08368	1.7
65.03905	2.8
65.75166	1.6
67.05505	68.9
67.05846	2.3
69.03411	2.1
69.07069	31.2
71.01308	6.0
71.04946	8.0
71.08591	2.8
71.59553	2.5
73.06561	1.9
77.88577	1.7
79.05494	59.7
81.03374	7.8
81.07058	41.9
83.04984	16.4
83.08608	10.8
85.06544	8.5
86.18983	1.9
91.05480	27.0
93.07044	67.3
95.04963	8.5
95.08611	22.4
97.06535	22.8
97.10167	16.5
98.97453	1.7
98.98489	21.1
99.04439	2.8
99.08058	4.9
105.07041	10.4
107.04938	4.2
107.08595	51.3
107.15501	1.7
108.75822	1.6
109.06462	4.8
109.10165	13.5
111.07996	3.6
111.11654	2.5
117.07008	8.5
117.07625	1.7
119.08597	12.9
121.06434	3.3
121.10137	13.9
123.11651	4.8
125.05901	3.3
125.09554	6.0
128.06184	1.7
129.06920	3.1
131.08463	2.2
133.10161	8.6
135.08070	2.1
135.11691	100.0
136.12010	2.0
137.09544	3.5
139.07486	2.3
139.11053	2.3
143.08458	4.6
145.10112	19.3
149.09625	2.2
149.13202	4.8
153.12665	4.2
157.10046	5.6
159.11588	3.3
163.11194	14.6
167.07167	2.1
171.11542	5.4
171.60658	1.8
173.95580	1.8
180.60477	2.1
181.12216	22.7
182.09528	2.0
195.11681	2.2
197.13138	3.5
199.13181	1.7
209.13165	2.3
213.16328	2.5
227.06769	1.9
227.11765	3.6
237.14613	2.9
237.18372	4.0
255.06508	11.6
255.08769	2.0
255.10846	8.2
255.15727	59.1
255.19897	2.8
255.21259	3.4
261.72729	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	255.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.7
55.01848	4.9
55.05513	28.4
56.96542	3.4
57.03441	35.4
57.07075	9.2
59.04960	2.5
59.34561	1.6
65.03923	2.5
67.05508	76.0
68.23231	1.4
69.03388	5.0
69.07073	35.5
71.01314	4.6
71.04990	13.2
71.08612	2.7
71.59418	2.6
79.05495	54.6
81.03370	6.1
81.07062	51.1
81.16185	1.5
83.04992	21.8
83.08617	13.0
85.02869	4.9
85.06544	10.1
85.10152	1.8
86.06029	2.1
91.04981	2.1
91.05478	24.6
93.07048	71.2
94.65621	1.4
95.04984	10.0
95.08614	32.9
97.05935	1.5
97.06527	27.0
97.10169	18.3
98.97540	2.8
98.98464	15.9
99.04405	1.9
99.08053	3.3
101.05992	1.6
105.07040	17.4
107.04907	2.8
107.08601	54.5
109.06445	4.6
109.10154	21.4
111.04385	2.2
111.08069	9.0
111.11681	2.4
111.52869	1.5
113.05983	2.0
116.98594	3.2
117.06948	6.2
119.08595	16.6
121.06460	3.3
121.09338	2.2
121.10145	25.9
123.08009	3.2
123.11652	5.2
125.05946	6.2
125.09554	7.0
131.08485	4.1
133.10161	10.0
134.99596	1.9
135.07962	4.5
135.11702	100.0
137.09554	3.8
137.13214	2.3
139.07457	6.6
139.11150	2.3
143.08557	3.5
145.10149	20.2
146.99658	2.1
147.11728	7.6
149.02312	1.7
149.09550	2.3
149.13174	5.1
153.12708	3.0
155.08505	2.5
157.10065	6.5
159.11713	7.6
161.13202	2.5
163.07491	1.9
163.11165	15.8
163.14726	3.4
167.07039	4.1
167.08469	1.7
171.11560	5.6
173.13162	3.4
177.00662	2.7
181.12260	16.9
191.14211	6.3
194.10796	1.9
195.11710	2.7
195.13646	1.9
197.13240	3.9
199.13162	3.6
199.14813	3.9
201.16344	1.8
209.13152	2.1
213.16302	3.7
219.13640	6.7
219.17265	2.1
219.20958	6.0
227.17870	1.9
237.14693	4.7
237.18407	6.7
237.22050	2.8
255.06303	4.6
255.11166	2.9
255.13789	4.5
255.15753	56.2
255.20897	22.5
255.23207	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	255.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58822	5.5
55.05506	35.8
56.96551	9.6
57.03438	50.6
57.07072	24.9
67.05502	69.9
69.07059	34.2
71.04977	10.2
71.08627	8.9
71.59927	8.0
79.05495	74.4
81.03402	15.8
81.07053	60.8
82.89423	6.0
83.04977	26.7
83.08622	17.5
85.06535	15.4
87.15149	6.1
91.05486	39.4
93.07041	82.1
95.04984	11.8
95.08605	28.9
97.06522	24.3
97.10163	22.0
98.98476	64.2
99.08055	6.7
105.07027	21.1
107.08588	52.4
109.06548	6.8
109.10155	15.4
110.68032	6.0
117.06985	10.0
119.08565	17.5
121.10188	12.9
131.08569	9.3
133.10130	15.3
135.11696	100.0
142.07762	7.1
143.08585	12.8
145.10110	24.8
157.10146	17.2
159.11739	6.7
163.11154	15.6
171.11621	8.1
181.12262	21.1
185.09543	9.4
185.13361	9.6
193.06438	7.5
213.16440	7.3
255.15889	56.0
255.17766	27.3
255.25052	13.5
256.26425	23.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01385	0.3
55.01876	2.1
56.96558	1.1
57.03437	3.3
61.02922	1.5
69.03407	1.8
69.64795	2.3
71.01349	0.8
73.02914	2.5
78.03456	1.1
80.05039	2.2
85.02910	2.8
87.04472	0.4
87.14597	0.3
96.04502	0.6
97.02898	1.4
98.20755	0.7
98.97599	0.5
103.03988	0.3
106.02924	6.2
110.07172	0.5
113.39352	0.3
115.03931	1.3
123.05554	100.0
124.03960	3.0
124.05888	0.7
127.03891	0.3
133.04965	2.7
146.99512	0.4
156.07634	0.3
190.98679	0.4
208.99759	0.5
255.06357	1.9
255.09737	0.8
255.13428	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0629
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05492	2.1
56.96567	9.0
57.03437	6.3
57.07086	1.2
59.05011	1.1
61.02926	10.2
67.05502	1.5
69.03435	4.1
69.07055	2.8
69.59471	6.0
71.01360	1.1
71.08620	1.0
73.02934	4.4
75.04478	1.3
77.09464	0.8
80.05027	1.4
81.07061	1.1
83.01337	0.8
83.04975	1.1
83.08611	1.8
85.02905	7.8
85.06532	0.8
87.04446	0.9
91.03946	3.4
93.05518	2.8
93.07078	0.8
95.08596	1.5
96.04498	1.0
97.02888	3.7
97.10178	1.5
98.97578	2.4
98.98459	6.8
103.03888	0.9
106.02930	5.0
107.08598	0.8
109.06484	0.9
109.10159	0.9
110.07160	1.7
113.02354	0.7
115.03917	1.6
116.98634	2.2
119.00171	1.2
119.01887	2.3
121.10126	1.4
123.05553	100.0
124.03963	8.7
125.59710	0.9
127.03919	2.5
128.98582	1.8
130.08675	0.8
133.04955	2.3
135.11575	0.9
142.96626	1.0
143.03432	0.9
145.04933	2.0
146.99664	2.3
150.01767	3.9
160.97600	0.9
162.99200	1.4
165.00713	1.6
169.35022	0.7
177.00687	1.0
178.87228	0.8
189.03862	1.2
190.98595	1.9
191.05653	0.9
193.00288	1.3
205.01895	1.4
208.99747	5.0
219.01744	1.0
226.02350	1.3
227.00694	1.2
232.99467	0.9
235.02963	2.3
237.22044	1.2
248.99225	1.0
255.06250	9.2
255.21051	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	254.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52656	1.1
56.96557	3.6
57.03429	1.2
60.08164	90.1
65.03931	4.9
65.66161	1.3
67.05447	1.1
69.47980	1.0
70.95453	2.1
73.02879	1.3
73.06551	2.1
74.06880	1.5
81.03407	1.6
85.02915	2.1
88.72223	1.0
89.43219	1.0
91.05484	8.0
93.03413	9.6
95.01781	1.1
95.04977	2.1
97.02851	1.1
98.97551	1.1
98.98454	8.1
110.03651	1.4
110.06039	1.4
111.03705	1.9
111.04443	26.8
116.98581	2.1
119.04964	5.5
119.08506	1.1
121.06471	2.5
125.05994	43.7
125.06956	2.1
134.06017	1.6
134.99689	1.1
141.05467	1.0
149.05981	89.2
150.98306	1.0
151.07468	1.3
153.05467	100.0
153.42906	1.3
177.05487	7.0
188.92494	1.7
195.06526	73.9
195.11320	4.2
196.46687	1.1
219.05054	2.8
248.99269	1.2
254.13876	70.8
254.16017	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	254.087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42912	2.4
55.01863	3.5
56.96557	7.8
57.07078	3.3
61.02923	7.4
64.79635	2.3
69.03419	5.4
69.07081	2.6
70.06562	2.6
70.21576	2.6
70.59569	8.0
71.01353	7.3
75.04480	18.6
81.03428	2.5
85.02905	4.2
87.04452	5.5
91.05466	2.5
95.28204	2.4
97.02933	2.7
98.21432	2.5
98.97546	2.8
98.98459	25.6
103.03946	18.5
116.98672	2.5
119.04935	2.5
119.33464	2.3
131.03450	6.3
159.02913	46.9
162.05577	2.5
187.02422	3.9
210.14922	4.9
219.05000	100.0
254.13945	3.5
254.17577	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	254.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	2.9
55.01869	8.1
55.05507	3.7
56.96296	3.5
56.96564	62.9
57.03452	5.5
59.04983	3.9
60.04510	3.7
60.08153	5.1
61.02913	12.8
66.51894	2.6
67.05499	3.2
69.03416	10.0
70.06586	9.0
70.82594	6.2
71.01351	44.1
71.04996	4.7
73.02920	5.4
73.06555	5.7
73.22470	2.5
74.06075	5.7
74.97614	4.2
75.04468	9.3
77.94654	3.1
81.03431	6.2
81.07059	4.3
84.08153	6.1
84.96030	8.4
85.02915	24.4
86.03225	5.7
87.04444	4.4
91.05448	2.9
93.07022	3.7
95.06074	3.1
97.02883	20.7
98.06056	4.2
98.97588	26.6
98.98466	23.9
99.00780	4.3
99.04441	4.1
101.02391	4.3
102.96954	2.6
103.03907	19.7
110.07172	13.7
110.97577	3.9
111.04458	2.9
113.02378	5.5
113.96384	2.9
116.00227	3.6
116.98643	20.1
117.01875	7.0
119.01927	4.1
123.05537	4.0
125.07123	5.3
127.03921	5.2
128.02414	4.2
128.98613	6.6
129.01823	3.7
129.05544	3.0
131.00119	4.0
131.03410	38.5
131.97447	5.2
133.04962	4.7
134.99663	12.2
136.06183	21.8
136.07146	3.4
136.07500	3.1
137.07838	4.0
141.01839	4.6
145.01579	2.6
145.04994	19.1
146.99637	12.7
147.04556	2.8
149.05968	7.9
153.00677	3.7
153.05434	8.3
157.04987	22.3
158.99686	5.0
159.02895	100.0
160.02895	4.7
160.97623	3.0
161.01173	3.5
161.03047	2.7
163.02782	8.9
163.05899	6.2
163.12302	4.4
165.00667	3.5
167.04651	3.0
167.11809	6.6
172.95189	8.9
173.04456	5.3
174.99123	6.0
177.00790	5.3
177.04019	4.0
187.02629	5.1
188.92471	5.1
189.00679	3.5
190.96266	6.1
190.98720	5.5
191.02173	3.6
191.05548	21.3
193.00195	9.9
195.06413	4.5
195.11288	26.3
195.53888	8.7
201.04022	4.0
208.14453	8.2
208.99683	5.9
209.03302	3.1
219.05011	98.3
230.03325	4.8
230.98151	3.5
231.05278	4.2
237.02827	5.4
237.06085	20.0
248.99243	16.0
249.02811	3.9
254.04976	3.6
254.09297	6.6
254.12468	11.0
254.15926	17.0
267.00214	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78256	0.2
53.03938	0.5
55.01862	0.6
55.05512	2.4
56.96563	2.0
57.03423	1.1
57.03679	0.2
57.07061	1.0
60.04521	0.8
61.02921	1.2
67.05521	1.1
69.03070	0.3
69.03429	3.6
69.07062	0.8
70.06604	1.2
70.96027	0.7
71.04985	0.6
71.08625	0.5
72.08141	0.4
73.02924	0.6
73.06557	10.6
79.05482	0.5
81.03411	1.4
81.07047	1.4
83.04973	0.2
83.08630	0.5
84.04501	0.5
84.08134	1.0
85.02903	16.6
85.06551	0.4
86.09707	0.7
88.04005	0.4
91.03957	0.7
91.05480	0.9
93.07032	1.8
95.04976	0.6
95.08596	1.1
97.02885	4.6
98.06069	0.3
98.97637	0.7
98.98466	20.0
99.04453	1.0
103.03944	0.4
103.05466	4.1
105.07030	0.4
106.05016	1.4
107.08569	0.3
109.02881	1.7
109.10156	0.6
110.06024	0.4
110.07162	0.7
111.68897	0.2
112.07616	0.8
116.00185	0.3
116.98637	0.8
116.99508	1.0
119.08573	0.3
120.08104	100.0
121.08427	1.0
125.06038	0.3
127.03915	4.0
128.98621	0.2
129.10271	0.5
130.08647	0.8
134.99672	1.0
136.07562	0.6
141.05446	0.6
145.04965	4.5
146.99644	0.4
147.04298	0.3
150.00853	0.4
150.05547	0.3
151.11191	0.4
158.99762	0.3
161.01250	0.2
162.05463	0.3
163.06032	0.8
166.04962	0.3
166.08698	0.4
172.95316	0.3
174.99226	0.7
176.98988	0.4
177.00737	0.5
179.10635	0.4
190.05110	0.3
194.09259	0.3
195.11397	0.9
197.05830	0.3
197.11740	1.0
205.00578	0.2
217.19615	0.3
230.00546	0.3
230.03311	0.3
230.08615	0.3
231.05440	0.4
232.08215	0.2
235.10861	1.1
235.13135	0.3
251.28818	0.3
253.06088	0.5
253.08681	0.4
253.11835	4.8
253.15816	0.3
253.18013	0.3
254.16058	0.7
265.89459	0.3
274.33475	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	253.1184
Annotation	Phenylalanylserine
Peak:m/z	Relative Intensity
53.03939	0.7
55.01875	0.4
55.05513	4.3
56.96565	2.6
57.03418	1.4
57.07083	2.1
57.47002	0.4
60.04515	0.9
61.02922	2.7
61.30392	0.4
67.05497	1.6
69.03431	5.5
69.07050	1.0
70.06584	1.3
70.50326	1.3
71.01328	0.5
71.04970	1.2
72.08134	0.7
73.02908	1.4
73.06555	17.8
79.05495	1.0
81.03412	2.5
81.07047	1.6
83.04977	0.5
83.08625	0.5
84.04517	0.4
84.08141	0.8
85.02905	26.9
86.09708	0.7
91.03957	1.2
91.05471	1.5
93.03810	0.4
93.07034	2.4
95.04972	1.0
95.08590	1.8
97.02892	6.0
98.97501	0.9
98.98465	34.3
99.04436	1.5
100.98919	0.7
101.02383	0.4
103.03935	0.6
103.05470	4.7
105.07043	0.8
106.05032	0.8
107.04935	0.7
107.08614	0.5
109.02872	2.4
109.06510	0.7
109.10161	1.2
110.06004	0.5
110.07160	0.9
111.04451	0.5
112.07557	0.5
115.03956	0.6
116.98632	1.4
116.99503	2.1
119.04910	0.5
119.08536	0.7
120.08104	100.0
121.06505	0.4
121.08422	0.5
121.10028	0.4
123.04417	0.6
123.43222	0.4
125.06045	0.6
127.03906	5.1
133.10115	0.6
134.99757	0.9
136.07492	0.4
137.09682	0.4
140.01192	0.5
140.08427	0.4
141.05446	0.9
145.04959	6.6
146.99658	0.4
149.05969	0.4
150.00838	0.5
153.05457	0.7
163.06023	0.9
166.05141	0.5
167.11757	0.4
172.95270	0.6
174.99203	0.7
176.98911	0.5
177.00700	0.7
185.47610	0.4
188.92477	0.4
194.09262	1.1
195.11319	1.4
197.11761	2.5
207.07826	0.4
235.10855	0.7
237.02856	0.6
253.06059	0.8
253.08765	0.8
253.11911	4.5
253.18005	0.5
254.13773	0.6
254.16164	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	253.1283
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.8
55.05516	2.7
56.96572	3.4
57.03436	1.7
57.07074	5.3
60.04546	1.3
61.02925	2.5
62.85651	1.0
63.59642	1.1
67.05509	6.1
67.94329	1.0
69.03436	4.7
69.07088	3.4
70.06572	1.1
70.94346	3.2
71.04996	2.6
73.06553	86.3
79.05497	1.6
81.03428	2.9
81.07050	6.1
83.08642	2.1
84.04521	1.5
84.08144	2.1
85.02901	20.8
91.05503	2.3
91.07616	3.8
93.07076	2.4
95.04977	2.7
95.08586	6.2
97.02918	4.8
97.10147	1.0
98.98463	100.0
99.04438	1.6
107.08568	1.5
109.02932	2.2
109.06506	2.0
109.10204	2.6
111.08098	1.0
116.98669	1.7
116.99540	4.5
119.04964	1.2
119.08632	1.5
120.08156	2.5
123.08124	1.4
123.11701	1.4
124.07683	1.2
127.03990	2.9
133.10147	1.9
135.05554	1.1
135.11728	1.1
136.07593	2.9
140.01047	1.4
141.05475	2.3
142.91405	1.1
145.05000	2.2
162.05573	1.2
174.99278	2.3
176.98976	1.7
179.10710	2.4
188.92384	1.1
197.11713	7.3
217.19438	1.2
219.04884	1.4
230.00533	1.2
235.13396	1.4
253.08418	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	253.1183
Annotation	H-Ser-Phe-OH
Peak:m/z	Relative Intensity
55.01865	1.0
55.05503	2.0
56.96561	2.1
57.07076	3.6
57.45068	0.6
60.04527	69.1
61.02921	1.5
64.67929	0.7
67.05492	2.8
69.03426	2.3
69.07050	1.9
70.04152	3.2
70.06589	1.9
71.01362	0.7
71.04990	1.0
73.06561	0.6
75.04466	0.7
79.05485	1.3
81.04553	0.7
81.07045	3.7
83.04956	0.9
83.08597	1.6
84.08141	1.3
85.02896	2.4
87.04475	0.8
87.05595	2.2
90.33041	0.6
91.05472	3.6
93.07051	1.8
94.51827	0.7
95.04970	1.0
95.08619	4.1
97.02891	2.5
98.98468	57.1
99.04472	1.0
103.03935	2.1
103.05470	2.7
105.07036	1.9
107.04959	2.4
107.08542	0.8
109.10152	1.6
110.07163	1.0
116.99503	2.6
119.04955	1.4
119.08559	1.0
120.08106	100.0
121.08475	1.0
121.10152	1.0
122.07166	0.7
123.04460	1.0
123.08111	0.9
125.20031	0.7
127.03966	0.9
131.04910	2.2
132.08110	1.6
133.10083	1.0
134.99663	1.4
135.11655	0.8
136.07587	1.7
141.05487	1.6
144.08083	2.4
147.04460	0.9
149.05962	2.2
151.11189	1.3
159.02908	2.4
161.06053	0.8
162.09174	2.9
166.08640	69.2
170.52211	0.7
171.11673	0.7
174.99231	1.3
176.98969	1.3
179.10716	1.4
197.11696	3.6
199.48901	0.8
207.11310	18.8
209.03900	2.9
210.04541	1.2
219.04958	5.4
225.22337	1.1
235.10782	5.0
235.95987	0.7
253.06462	3.8
253.11836	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	252.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03963	0.3
55.05512	1.9
56.96570	0.9
57.03433	1.1
57.07084	0.4
60.04529	3.6
61.02917	0.3
66.09188	0.3
67.05501	0.7
69.03427	0.8
69.07074	2.0
69.33443	2.4
69.33852	0.5
70.06592	1.3
71.04986	1.7
72.08152	0.4
73.02914	0.5
74.02435	0.8
79.05494	1.5
81.03417	0.4
81.07060	4.6
83.04975	1.1
83.08646	0.6
84.08152	1.1
85.02899	3.2
85.06580	0.5
86.06073	0.8
86.09708	0.8
87.28737	0.2
88.03994	2.3
91.05484	5.8
93.07051	1.1
94.04064	0.8
95.04964	0.4
95.08593	1.4
97.02879	1.0
98.21568	0.5
98.97603	1.0
98.98468	10.0
98.99120	0.6
99.87331	0.2
104.03461	0.4
105.03390	0.7
105.07053	2.0
107.04969	0.8
107.08586	1.6
108.76994	0.3
109.06530	0.5
109.10152	2.2
111.04417	0.4
112.07622	0.6
116.03487	0.7
116.98608	1.5
116.99441	0.6
119.03544	1.7
119.08577	4.3
119.09377	0.5
120.08106	0.8
121.10146	17.9
123.08038	0.7
123.11637	0.5
126.09213	0.3
127.03894	0.3
128.98634	0.9
129.05461	0.4
129.10217	0.4
131.08574	0.3
132.95863	0.4
133.10138	5.1
134.04486	3.0
134.99651	0.7
135.08063	0.5
135.11670	0.7
136.06187	100.0
137.04594	2.4
137.09602	0.5
145.04948	0.5
146.99637	0.5
147.11700	0.9
149.13264	6.5
158.99646	0.4
161.01241	0.4
163.97862	0.3
170.99673	0.4
174.96918	0.9
175.14824	11.2
177.00655	0.5
180.13863	0.6
181.06360	0.3
192.06709	0.4
192.17490	0.9
193.15962	0.7
205.98703	0.7
207.08083	0.9
210.18416	0.4
211.07240	0.6
219.01802	0.4
220.07822	2.7
222.08302	0.5
229.00450	0.4
229.08441	0.7
231.08855	0.6
231.58694	1.0
234.07620	0.6
234.13493	15.5
234.18394	1.6
234.98932	0.3
237.02876	0.7
252.14554	63.6
252.19568	26.0
253.14662	0.4
263.07352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Deodardione
Peak:m/z	Relative Intensity
53.03955	1.2
53.08818	0.5
55.01876	1.5
55.05507	7.5
55.25652	0.5
56.96572	2.5
57.03443	1.1
57.07077	0.7
59.05007	1.1
65.03939	0.6
67.05506	6.1
69.03422	2.7
69.07067	11.8
69.55584	4.2
71.05000	3.2
73.02927	0.7
74.23311	0.5
74.99970	0.6
77.03909	0.5
78.00522	0.5
79.05492	9.2
81.03401	1.2
81.07058	11.2
83.04983	9.4
83.07760	0.5
83.08613	1.7
85.02920	1.1
85.06541	1.4
91.05482	6.3
93.07042	26.7
95.04975	5.1
95.08605	9.9
97.02905	1.8
97.06535	4.2
98.98466	36.6
99.04457	6.1
103.05490	0.8
105.07032	12.8
107.04948	3.9
107.08593	8.9
109.06517	4.9
109.10154	4.0
111.04441	10.8
111.08069	1.3
111.11723	2.7
116.98660	1.1
116.99493	1.4
117.07028	2.7
119.04913	1.0
119.08580	3.7
121.06517	4.3
121.10144	36.0
123.04423	0.9
123.08058	3.3
123.11705	2.6
125.06034	1.2
125.09641	1.0
127.03848	0.7
128.06203	0.6
129.07008	1.3
130.07787	0.6
131.00133	0.6
131.08582	5.5
133.06497	1.8
133.10132	4.5
135.08057	2.3
135.10008	0.8
135.11668	2.2
137.05995	1.6
137.09599	0.7
139.07521	1.8
139.11162	2.0
143.08600	1.3
144.09326	1.4
145.06410	0.9
145.10121	14.1
147.08067	0.7
147.11676	2.0
149.01221	1.8
149.09624	13.7
149.13275	0.8
150.04480	0.5
151.07518	1.3
151.11208	0.7
153.09074	0.8
153.12733	0.6
155.07147	0.5
155.08565	0.9
157.10110	0.8
159.08032	2.0
159.11681	5.6
161.09541	0.7
161.13281	0.7
163.07526	0.7
163.11189	11.4
167.02286	0.7
167.10672	100.0
168.10957	0.9
169.10091	1.5
171.11726	0.7
172.08850	0.8
173.09650	4.2
173.13245	1.8
174.99223	2.1
175.11227	1.3
177.00671	1.3
177.09077	0.8
177.12721	0.9
179.08426	0.8
181.12231	0.7
187.11165	10.9
187.14836	1.1
189.12715	0.9
191.10670	3.9
191.17880	0.7
197.09537	1.4
200.75620	0.5
205.12241	6.7
205.15982	0.6
215.10674	7.7
215.14265	1.3
215.17982	1.5
233.11736	5.5
233.15341	4.0
233.19019	2.0
251.08749	4.8
251.12782	3.6
251.16388	18.4
251.20203	3.2
251.58841	0.8
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	N-Feruloylglycine
Peak:m/z	Relative Intensity
55.05512	1.0
56.96563	1.3
57.03447	0.8
57.07083	0.9
61.02943	0.4
62.46555	0.4
63.97952	0.4
65.03925	1.1
67.05527	0.4
69.03413	0.7
70.02966	1.1
70.73973	1.1
71.04987	1.4
72.08145	0.9
74.02444	25.3
77.53932	0.4
79.05507	0.8
81.07063	2.5
83.04990	1.6
84.08141	0.8
85.02903	2.7
86.09663	0.6
88.03995	46.4
91.05484	100.0
92.05824	0.4
94.04076	0.8
95.04985	0.5
98.02405	0.5
98.97591	1.8
98.98474	6.7
105.03402	0.7
107.08558	0.7
109.10190	0.4
116.03463	14.4
116.98623	1.3
116.99440	0.4
119.03564	0.7
120.08086	0.5
128.98538	0.5
129.05521	0.5
129.10242	0.8
134.04494	68.0
134.99641	0.6
136.06190	56.2
137.04608	0.9
146.06050	0.7
176.96948	0.6
177.00795	0.5
203.02197	0.5
205.98828	0.8
206.08134	3.0
211.07202	0.6
220.07828	3.2
229.08441	1.1
231.08856	0.9
234.07625	7.3
234.13509	10.2
237.02864	0.9
240.59212	0.5
252.08881	3.5
252.14551	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1641
Annotation	Hebelophyllene H
Peak:m/z	Relative Intensity
50.79479	0.9
55.05491	3.6
56.96564	2.5
57.03424	1.7
57.07069	3.9
57.50361	0.9
59.04996	2.3
60.93565	1.1
67.05513	7.4
69.03425	2.0
69.07078	5.4
71.04995	22.3
71.15432	1.2
71.59571	1.6
71.83196	0.9
79.05466	4.6
81.03412	2.1
81.07061	10.1
83.04977	5.5
83.08611	2.6
85.06533	2.9
91.05460	4.3
93.07053	7.7
95.04975	9.6
95.08609	9.9
97.06535	6.4
97.10138	1.0
97.65353	1.0
98.98470	100.0
99.04431	1.6
105.07046	5.9
107.04953	1.5
107.08603	7.8
109.06491	3.4
109.10137	6.8
111.08057	2.4
111.20577	1.0
113.05980	1.5
116.98778	1.4
116.99493	7.3
117.06992	2.1
119.08587	5.6
121.06491	2.5
121.10144	14.0
123.08055	4.4
123.11684	4.4
125.05999	11.9
131.08542	4.2
133.10106	3.7
135.08051	2.3
135.11688	5.0
137.09612	2.9
140.01079	2.5
144.62976	1.2
145.10132	4.7
147.08028	3.5
147.11682	2.8
149.09625	6.7
149.13264	1.3
151.07532	5.5
153.12700	1.4
159.11673	2.4
163.03860	1.2
163.11183	16.7
167.10593	1.4
173.13246	2.1
174.99268	5.8
175.11220	1.6
175.14905	1.3
177.09157	1.9
181.12251	9.1
189.12674	1.5
191.14282	1.8
191.17938	1.9
191.85091	1.3
193.12196	2.7
215.14214	2.5
215.17827	1.6
230.06929	1.3
233.15379	8.6
233.18962	1.2
251.12485	1.8
251.16408	42.5
251.20132	3.5
269.12372	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1642
Annotation	Sterpuric acid
Peak:m/z	Relative Intensity
53.03926	3.7
55.01862	7.0
55.05509	16.9
55.05736	2.9
55.44307	1.9
56.96561	5.0
57.03449	3.7
57.07080	2.5
65.03928	3.1
67.05503	58.4
69.07067	18.1
70.53381	3.6
70.53725	6.1
70.55550	2.3
71.05003	4.2
72.12652	2.4
77.03316	2.2
79.05495	63.5
81.03435	4.5
81.07056	71.5
83.04980	6.6
83.08633	5.1
85.06538	4.3
91.05480	100.0
93.07043	37.1
93.11681	2.2
95.04965	19.1
95.08603	32.7
97.06517	5.1
98.98467	95.3
103.05460	6.2
105.04557	2.4
105.07027	74.8
106.51137	2.1
107.04955	28.0
107.08603	22.5
109.06528	16.0
109.10137	11.7
115.05445	3.3
116.99483	3.0
117.07011	27.5
119.07785	4.0
119.08579	50.5
121.06503	11.4
121.10154	10.6
123.08034	3.4
127.07518	2.4
129.06993	10.2
131.08568	55.3
133.06483	5.5
133.10103	15.1
135.08022	4.6
137.09636	4.3
141.07002	5.1
143.08560	4.8
145.10146	17.0
147.08124	3.6
147.11668	2.3
149.09624	4.4
151.07611	2.5
154.07828	2.0
155.08559	6.8
156.09328	2.5
157.10168	2.3
159.08130	2.1
159.11662	4.7
169.10146	6.5
171.11682	10.2
173.09671	2.8
173.13251	12.6
174.99268	6.0
187.11130	2.7
187.14774	13.7
197.13341	10.5
205.15921	7.3
215.14328	10.9
233.15366	60.7
251.16423	6.2
269.10623	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	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.4
56.96559	0.5
57.03428	1.0
61.02910	1.0
67.05531	0.4
69.03431	3.1
70.06596	2.6
70.94378	0.9
72.08138	0.5
73.02910	0.3
79.05502	0.4
81.03428	1.0
85.02906	14.1
88.07631	100.0
97.02892	2.7
98.98469	13.6
99.04507	0.5
106.81528	0.3
107.04951	0.4
109.02878	1.5
116.98640	0.3
116.99521	0.5
127.03901	2.6
129.74231	0.4
136.06194	1.1
142.31940	0.3
145.05000	1.4
174.99257	0.7
230.71428	0.3
232.14172	0.5
233.15486	0.3
250.12851	0.8
250.15062	0.4
250.19983	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.5
57.03430	0.8
61.02921	0.8
69.03430	2.3
70.06587	2.4
70.67030	0.6
81.03413	0.9
85.02905	13.4
88.07631	100.0
89.07962	0.5
97.02885	1.9
98.98468	3.3
99.04427	0.3
109.02889	1.1
120.10152	0.3
121.62479	0.3
127.03921	2.8
145.04999	1.1
200.20163	0.3
228.14377	0.3
232.14157	0.3
250.12941	0.9
258.53241	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	251.051
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	12.9
57.03435	6.9
57.07056	1.7
60.13252	1.1
61.02647	1.4
61.02929	21.2
67.05516	1.3
69.03436	3.4
70.98123	2.1
71.05017	1.5
71.57236	1.6
73.02915	2.5
75.04455	1.0
75.83509	1.0
77.00898	2.6
78.00930	1.0
81.07041	2.6
82.01435	3.1
84.96017	1.6
85.02901	7.0
88.99142	1.4
89.76652	0.9
91.02456	1.4
93.07040	1.2
97.02895	3.3
98.01243	1.2
98.97581	6.0
98.98467	100.0
100.02480	22.9
103.02436	1.5
104.05351	1.6
105.07005	1.2
107.08568	1.5
109.10147	1.6
113.02386	2.2
116.98617	6.2
116.99511	4.3
117.01920	1.7
118.01041	4.0
118.03510	16.4
118.04297	1.4
119.01876	4.5
119.60826	1.1
120.00727	1.1
121.01561	2.8
121.10134	1.7
126.00776	1.4
126.98761	1.9
127.01553	1.1
127.03844	1.9
128.98595	2.3
132.00705	2.7
133.03467	3.8
134.99658	3.9
139.04250	2.1
139.29044	1.1
140.01094	1.6
141.01253	5.3
142.96527	1.7
144.99840	15.4
146.99670	4.6
148.02061	3.2
148.04781	2.7
149.01202	1.9
150.00644	1.6
150.01764	7.6
150.41090	1.1
151.04539	2.6
157.02580	11.0
158.99698	1.7
160.97575	1.4
161.01242	1.3
161.05511	2.1
163.00899	3.9
165.00723	5.8
166.03117	3.4
168.01477	8.7
170.01505	1.4
172.99318	15.9
174.99191	6.2
175.04749	1.3
176.93524	3.3
177.00795	2.0
177.02461	5.1
182.01541	1.6
183.01808	1.3
186.02556	2.1
186.99274	1.4
187.00858	2.4
188.97112	2.6
190.01308	1.5
190.98686	2.8
191.00383	19.4
191.02139	3.4
193.00204	3.9
196.00917	50.3
205.00305	2.3
205.01884	7.1
205.52046	1.5
206.02660	1.7
206.98175	1.7
207.01630	1.3
210.02431	1.4
214.01993	31.3
219.02525	4.2
223.01199	2.7
223.03140	1.6
226.02332	1.4
228.03542	25.4
240.32597	1.3
242.03600	2.4
246.04596	4.7
251.04976	3.7
251.10510	1.5
251.16460	3.0
251.20045	1.8
263.00827	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	249.1121
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
52.96672	2.0
53.03938	6.6
55.01865	5.7
55.05510	17.8
56.96540	2.4
57.03438	4.2
59.04996	3.5
67.05502	18.7
68.11596	2.0
69.03424	18.9
69.07062	7.7
70.15665	5.0
70.16080	5.1
71.04994	3.2
72.67105	1.8
73.02893	3.1
79.05060	3.9
79.05492	59.6
81.03407	8.0
81.06589	2.5
81.07056	42.4
83.04973	6.6
85.02907	9.8
85.06557	5.9
87.00842	4.7
87.84289	2.0
91.05476	36.3
93.07037	32.0
94.24647	2.0
95.04961	17.3
95.08591	18.5
97.02897	14.9
97.06531	15.6
98.97553	2.1
99.04501	3.7
100.11246	4.6
102.96846	1.8
103.05450	6.6
105.01846	2.9
105.04514	3.7
105.07029	60.6
107.04956	19.5
107.07958	3.3
107.08603	36.4
109.02866	8.3
109.06518	17.6
109.10164	8.6
111.04460	6.1
111.08093	2.9
111.74261	2.0
115.05449	9.4
117.07025	21.4
119.04966	12.2
119.08587	31.7
121.06510	13.3
121.10139	8.4
123.04460	5.3
123.08058	5.3
123.11703	2.4
124.07586	2.4
125.05988	19.5
127.03896	6.5
128.06229	13.1
129.07005	41.2
129.07912	3.5
130.07806	5.5
131.04826	2.2
131.08574	41.0
133.02838	2.9
133.06497	6.7
133.10133	14.6
134.99677	2.3
135.04413	5.1
135.08035	6.0
135.11691	5.4
135.63850	2.1
137.06003	8.8
141.05464	25.5
141.06990	11.1
142.07776	52.5
143.08551	31.7
144.05722	2.5
144.09360	12.6
145.06517	13.2
145.09055	3.3
145.10127	29.0
145.11185	4.0
147.04417	3.7
147.08061	9.5
147.11676	7.2
149.05916	4.7
149.09610	4.9
151.07527	5.8
154.07759	3.8
155.07043	5.3
155.08490	2.9
156.09419	2.7
157.06523	4.4
157.10126	100.0
158.07262	2.6
159.08107	13.5
159.11693	84.4
161.05983	3.9
161.09627	19.8
161.13242	3.1
163.07581	3.1
163.11108	3.6
167.08559	3.1
169.10129	3.7
170.07239	5.3
171.08076	9.1
171.11638	4.4
173.09596	6.4
173.13344	3.8
175.07443	4.4
175.08771	3.8
175.11182	17.3
175.14935	3.7
177.09190	2.5
185.09622	70.9
185.13203	18.1
187.07449	2.4
187.11180	34.9
189.09111	13.9
189.12732	4.9
191.10696	2.5
195.08078	3.2
195.11687	2.6
198.06628	3.2
203.10677	78.9
203.14194	12.8
206.07121	2.1
207.10330	4.9
207.13831	3.6
213.09085	33.0
213.12781	5.6
221.11786	3.5
229.07224	3.3
231.10182	24.8
231.13733	36.6
249.08870	5.0
249.11067	28.0
249.14740	16.6
249.18333	13.0
257.34979	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	249.0627
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	5.5
55.01861	8.9
55.05519	32.0
56.05010	4.6
56.96569	92.1
57.03429	12.7
57.07052	7.2
58.96171	4.6
59.04993	10.2
61.02928	24.8
62.03238	4.3
67.05499	9.9
69.03429	28.7
69.07044	6.6
70.06570	7.1
70.98103	4.2
71.04973	10.5
71.57391	4.0
71.57780	4.8
72.08144	17.1
73.02916	19.9
73.06548	18.6
79.05489	12.3
81.03410	14.1
81.07053	28.6
83.04967	12.8
83.08592	5.7
84.04460	5.9
84.08129	4.5
84.96034	8.6
85.02916	48.1
87.00845	5.3
87.04434	6.2
88.99116	6.9
91.03992	5.0
91.05484	20.6
93.07044	11.6
95.08585	13.0
96.90924	4.5
97.02883	34.4
98.97586	64.3
99.04433	9.8
104.05327	6.1
105.07030	31.4
107.00179	5.4
107.08583	15.5
109.02895	10.5
109.06516	7.2
109.10137	8.6
110.07156	4.4
110.97568	6.4
116.98616	63.2
117.01846	6.1
117.07006	10.7
119.00146	3.9
119.01810	17.7
119.08591	15.2
121.06464	6.0
121.10130	8.3
123.08053	5.3
127.01531	4.9
127.03893	12.8
128.02321	11.1
128.06189	6.7
128.98618	12.1
129.07001	10.6
130.73232	4.4
131.00092	5.5
131.08569	8.3
133.10146	6.7
134.99675	42.3
137.05946	7.4
143.00133	10.3
143.08540	18.4
145.04887	4.2
145.10118	24.0
146.04134	14.8
146.99631	25.1
147.03224	11.6
147.04391	6.7
147.08043	9.2
147.11697	8.3
149.01192	15.8
149.04515	5.2
149.05896	4.9
153.00749	5.2
155.04655	84.5
155.54788	10.1
157.06335	4.5
157.10115	11.3
158.01205	4.3
158.99724	25.4
159.00981	6.3
159.03203	4.7
159.11736	10.3
161.01247	23.3
161.02707	5.5
161.04689	8.8
161.05965	7.1
161.09636	14.6
161.13257	5.9
163.02748	10.8
164.05191	40.7
165.00710	15.4
165.04333	9.0
166.55435	13.4
167.02252	5.9
168.01826	5.1
168.03552	6.3
168.05371	5.7
170.99666	6.7
171.08066	6.1
171.11671	5.7
173.09589	6.6
174.99149	5.0
175.02699	4.1
175.07510	8.3
175.11208	4.7
175.56050	6.9
177.00702	49.2
177.02237	8.6
177.04146	13.2
177.05951	12.1
177.54080	6.1
182.03368	5.5
184.02937	5.8
184.04924	10.8
185.09511	5.3
185.13219	27.5
189.00720	12.1
189.02354	8.2
189.04315	5.9
189.09071	7.2
189.12775	6.1
190.98651	7.3
191.03993	6.2
191.05710	39.4
191.10683	4.4
193.00157	20.5
195.01732	9.9
196.05008	4.1
200.02362	4.9
201.00711	4.9
202.56602	5.7
203.14276	22.3
204.02937	4.6
205.00128	6.3
206.11008	4.1
207.01747	11.7
207.05376	4.7
207.13867	4.5
211.01019	4.6
213.03375	5.7
213.12737	12.9
219.01698	9.8
219.05264	8.0
222.99188	4.6
223.01202	5.9
228.05803	6.3
231.11784	3.5
231.13792	100.0
237.02763	13.0
240.05670	11.4
249.03423	8.2
249.06332	32.3
249.12721	5.8
249.14975	22.9
249.56311	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73095	3.2
55.01861	4.1
55.05516	4.2
55.67373	3.3
56.96564	46.2
57.03436	7.9
60.04602	3.5
60.95409	4.3
61.02925	21.1
69.03435	11.0
69.74129	19.2
69.74545	8.5
70.72218	3.6
70.92908	4.1
70.98119	8.0
72.08155	30.4
73.02911	16.0
74.06095	4.4
81.02919	3.9
81.03404	6.4
84.96028	6.5
85.02905	16.3
85.64745	3.9
87.04449	3.9
88.99179	5.1
94.93019	67.7
97.02889	14.0
98.21494	4.3
98.97586	91.7
100.99211	3.5
104.05328	6.5
110.01279	5.8
110.97548	5.7
112.99152	3.9
113.02410	5.8
116.98628	58.4
119.01884	16.4
121.01704	4.1
124.54186	4.7
127.03956	5.1
128.02322	6.7
128.98601	14.4
131.00189	10.6
131.01892	4.1
133.03453	10.3
134.99678	24.9
137.02965	3.6
145.03410	3.6
146.08162	3.8
146.99628	16.4
147.03139	6.7
149.01228	26.8
150.05768	4.9
155.34344	3.7
156.03587	9.1
158.99635	22.0
161.02991	5.6
165.00729	18.2
167.02307	9.2
170.99698	7.6
174.99200	14.3
177.00723	36.7
177.02243	5.2
177.06065	5.2
187.04594	4.4
189.00674	14.3
193.00240	22.0
193.01662	3.8
197.24464	3.9
200.04443	6.0
201.00740	3.8
203.02357	4.9
206.88623	19.2
207.01695	20.7
213.03365	11.2
219.01619	4.7
228.05768	13.4
237.02711	6.7
237.06340	4.1
248.89629	22.7
249.03763	100.0
249.14684	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	248.1645
Annotation	Ketobemidone
Peak:m/z	Relative Intensity
53.03957	0.9
55.05507	4.3
56.96548	3.2
57.03432	1.4
57.07070	1.2
58.75078	0.7
65.03937	1.6
65.84261	0.7
67.05501	2.7
69.03415	3.0
69.07062	2.5
71.04988	2.6
71.59138	1.3
79.05497	4.1
81.03423	1.8
81.07038	2.0
82.07417	0.9
83.04967	2.7
83.08603	1.0
84.08093	1.0
84.96048	1.2
85.02921	3.9
85.06527	2.0
86.09731	0.7
91.05482	100.0
92.05836	1.8
93.07034	4.6
95.04960	6.0
95.08594	2.7
96.08900	1.0
97.02896	1.3
98.11404	0.8
98.97593	8.4
103.05485	1.5
105.07030	32.2
107.04947	1.5
107.08604	6.3
109.02846	1.7
109.06518	8.8
109.10124	1.3
110.10571	1.0
110.97555	2.2
112.99126	3.5
116.98600	3.8
117.07009	3.1
119.08578	36.5
120.08089	0.9
120.08855	1.6
121.10134	6.0
122.06023	0.8
123.08068	6.7
123.11699	2.2
124.07603	0.9
124.12158	0.9
124.99061	1.0
128.98605	3.4
129.07005	1.0
131.00194	5.9
131.08560	2.8
132.09303	1.4
133.06538	1.0
133.10091	2.0
134.99651	2.0
135.11603	1.4
137.09644	1.9
143.00142	3.4
143.08583	2.0
145.10095	6.9
146.09636	1.3
146.98512	1.0
146.99643	3.9
147.08022	1.7
147.11685	48.3
148.12090	1.0
149.01234	4.5
149.09618	2.8
151.07529	2.3
152.07007	1.0
156.09317	1.7
157.10226	1.3
158.99628	1.6
159.08063	1.1
159.11713	1.1
161.01251	3.9
161.09615	1.6
161.13252	1.5
163.11194	3.3
164.10719	1.7
164.78625	0.9
165.12730	2.6
171.11705	3.0
177.00702	1.7
185.01219	4.5
187.56326	2.0
188.10767	1.1
188.14272	2.1
189.12741	5.3
190.12158	1.3
192.10246	1.5
194.16278	1.0
196.56908	1.1
203.02278	12.3
203.10745	0.9
206.15424	3.8
207.10524	1.6
207.13812	18.1
212.17284	1.0
215.59535	3.8
221.03369	3.3
224.60080	3.9
227.10382	1.4
228.06424	1.1
230.08017	0.9
230.15479	5.2
231.10374	1.0
237.07054	2.6
245.03381	5.2
248.09276	3.6
248.16475	87.5
249.11259	1.3
263.04388	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	247.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	18.5
56.05033	6.9
57.03446	4.7
57.07083	7.1
66.48888	3.7
67.05509	19.8
69.03428	9.0
69.07076	24.1
70.57453	12.9
70.90180	3.0
71.04990	6.6
74.06075	14.3
76.85973	4.2
79.05483	16.8
81.03395	4.7
81.07054	58.9
83.04984	4.3
83.08632	7.9
84.20712	3.4
85.02882	5.4
85.06548	4.2
85.66856	3.1
86.09707	23.4
91.05477	11.2
93.07036	30.2
95.04948	12.7
95.08046	5.3
95.08613	61.0
97.02924	3.8
97.06543	3.7
97.10252	3.2
99.08083	4.9
103.34628	4.0
105.07026	42.8
107.08597	37.9
109.06499	9.6
109.10156	96.8
111.08054	5.2
119.07791	7.9
119.08582	90.6
121.06494	8.9
121.10162	29.5
123.08067	5.5
123.11701	41.7
125.09670	4.6
131.08574	6.7
133.10130	71.2
135.11693	65.8
136.08833	7.3
137.09641	17.0
139.11128	7.6
146.11768	20.7
147.11662	18.2
149.13301	10.2
151.11214	5.7
151.14723	3.9
159.11681	3.7
161.09653	3.9
163.14835	14.3
165.16406	22.5
175.14824	100.0
193.15883	82.6
211.16939	99.7
217.04509	3.8
229.08435	5.0
229.13461	8.2
229.18112	7.3
247.09644	6.5
247.13324	5.4
247.16835	11.9
247.19116	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	248.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02346	0.6
53.03943	2.0
53.05191	0.6
55.01874	1.4
55.05513	1.8
56.05063	0.8
56.96568	28.2
57.03437	2.8
58.35150	0.6
59.05004	1.3
60.04527	0.9
61.02927	5.3
65.03936	1.2
67.05170	1.0
67.05507	14.9
69.03429	4.5
69.07058	0.7
70.06598	2.0
70.98132	1.6
71.05009	3.0
71.58829	1.2
71.95265	0.9
72.04521	0.9
72.08157	1.8
72.45599	0.6
72.96044	0.6
73.02921	3.9
74.06075	0.7
74.97615	1.9
75.04490	0.7
77.00846	0.7
79.05506	1.9
81.03428	2.7
81.07065	1.0
83.05017	0.7
84.04504	1.3
84.08157	2.9
84.96049	1.1
85.02911	11.4
85.06570	1.0
86.09692	3.5
87.04459	0.8
87.10046	1.8
88.99162	1.9
91.91224	0.6
92.98655	0.9
94.06570	29.6
95.01349	0.9
95.04974	2.1
96.10732	0.6
97.02879	4.6
97.06530	1.5
98.06067	1.1
98.97585	17.0
99.04475	1.5
101.00816	0.7
104.02180	0.8
106.06568	7.9
107.00201	0.8
107.72746	0.6
109.02876	1.4
110.06002	0.6
110.97556	1.1
111.00252	1.4
111.04428	0.8
112.99137	0.9
113.98656	1.0
115.00752	0.9
116.98624	19.9
117.01882	2.7
118.01041	0.7
118.02855	0.8
119.00195	0.7
119.01891	2.6
120.00761	0.9
120.01999	0.9
120.97956	0.6
122.05157	1.5
122.06034	26.6
125.02692	2.9
127.01571	2.4
127.03920	2.8
128.02347	1.3
128.98630	3.1
129.10208	1.1
130.08669	0.7
131.00192	0.8
131.01826	1.1
131.99718	1.3
133.01672	1.9
133.03436	1.2
134.01276	1.2
134.99657	22.7
136.06184	5.8
137.02972	0.7
140.07082	1.5
145.01717	1.2
145.03383	1.5
145.04951	0.6
146.01382	2.2
146.99666	4.0
148.03925	0.9
149.01199	2.2
150.00751	3.1
150.05505	100.0
151.02731	0.7
151.04639	0.6
151.05836	1.6
153.00720	4.4
153.01880	0.7
154.03860	6.5
154.04973	1.0
155.04675	1.6
156.01839	0.9
157.02570	0.8
158.01276	1.7
158.04900	1.4
158.99654	2.3
160.06435	1.5
160.97540	0.8
161.01189	2.8
161.02972	0.8
161.04691	0.9
163.02776	1.7
163.04414	4.2
165.00729	4.1
165.54723	0.8
167.02232	1.1
168.01741	0.9
168.03664	1.3
168.06575	10.8
169.00325	1.0
170.05122	1.4
174.07813	1.3
174.99219	2.5
175.00963	1.0
175.02609	1.0
176.02339	0.6
177.00723	4.2
177.02336	1.7
177.04202	1.8
183.01846	1.0
184.04776	0.8
188.02536	3.1
188.05898	1.3
189.00691	2.0
189.02971	0.9
189.04395	2.5
190.04977	1.0
190.98633	2.5
191.03979	1.4
191.05743	2.0
192.04456	0.7
193.00188	4.3
196.01283	1.0
197.02890	1.9
198.00882	0.7
201.00775	0.8
202.10767	0.8
203.02153	1.1
206.06950	2.1
207.01726	2.5
207.03729	0.7
207.05418	4.3
208.99776	0.8
211.01720	0.8
213.03653	0.6
217.00099	0.7
217.01927	0.8
219.01657	1.8
219.03482	1.1
220.03766	1.1
222.02870	0.7
223.01143	1.5
224.07959	4.0
224.99051	1.1
230.02066	0.9
230.07021	8.2
230.10336	2.6
237.02771	2.5
239.04871	1.0
248.03188	48.6
248.05284	3.1
248.08044	21.8
248.11388	8.6
248.14969	2.3
249.02995	2.3
249.06342	0.8
266.09058	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	247.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	3.2
55.05502	15.8
57.03434	3.9
57.07069	5.3
57.79616	2.4
67.05505	23.7
69.03420	5.7
69.07069	26.5
69.86235	16.7
71.04977	4.9
79.05491	15.0
79.47098	2.3
81.03412	5.4
81.07063	74.4
83.04964	6.9
83.08628	11.7
85.06559	6.1
85.10172	2.8
86.09702	7.8
91.05491	16.4
91.05980	3.3
93.07057	35.6
95.04945	4.1
95.08611	81.4
97.06528	8.0
97.10167	5.1
99.08091	3.1
105.07036	45.9
107.08599	65.1
109.06494	10.7
109.10159	82.5
111.08096	3.8
117.07018	2.8
119.08585	89.0
121.06473	5.5
121.10149	43.6
123.08107	11.7
123.11715	41.9
125.09608	3.8
127.33541	2.3
131.08617	3.5
133.10135	65.3
135.08147	2.2
135.11697	72.6
136.08844	6.2
137.09610	24.2
137.13240	3.2
139.11205	3.5
145.10051	2.8
146.11746	2.5
147.11664	15.7
149.13249	12.1
150.31473	2.2
151.11189	6.0
151.14816	3.8
153.12775	5.3
163.14822	17.1
165.16402	33.4
175.14830	100.0
181.16000	3.0
186.11476	2.8
193.15889	76.9
211.16939	79.7
229.13417	4.8
229.18005	12.5
247.14554	3.5
247.16859	3.6
247.19073	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	247.1693
Annotation	cis-Hexadec-11-en-7,9-diynoic acid
Peak:m/z	Relative Intensity
55.05500	6.0
56.96546	2.0
57.03411	3.0
57.07052	4.4
65.03922	1.9
67.05502	16.5
69.03404	4.3
69.07053	8.0
71.04989	2.3
71.61057	3.2
79.05490	14.0
81.07054	23.9
85.06542	2.6
91.05473	15.5
93.07050	21.7
95.04948	4.6
95.08598	24.1
97.06537	3.0
98.97604	2.5
98.98476	1.9
105.07031	26.3
106.58107	1.6
107.04968	2.8
107.08589	18.2
109.06486	5.9
109.10165	13.3
116.98632	2.1
117.07005	25.0
119.08587	20.9
121.06493	6.7
121.10149	12.8
123.08073	3.2
123.11703	3.0
125.05963	2.5
129.07014	4.9
131.08557	37.6
133.10120	7.2
134.99609	2.5
135.08023	5.6
135.11674	4.8
137.05980	2.3
137.09622	3.3
139.07507	2.3
143.08516	5.4
144.09425	2.1
145.10110	37.3
147.11668	5.9
149.06065	1.9
149.09607	6.6
149.13206	3.2
155.08597	2.1
157.10097	2.3
159.08112	3.5
159.11699	23.0
161.09637	2.7
163.07423	2.2
163.14821	3.4
169.10081	4.0
170.78104	1.9
173.09583	5.1
173.13271	6.5
175.51025	1.7
177.00752	2.4
177.09090	4.2
183.11555	1.8
185.13237	4.3
187.11168	7.8
187.14807	100.0
191.10634	3.8
201.00706	1.9
201.12703	6.5
201.16393	16.8
203.10440	1.7
205.12196	2.3
211.14929	2.1
229.12186	5.6
229.15903	12.9
229.19550	3.3
236.09821	2.2
247.05966	6.6
247.13231	13.5
247.16922	70.9
247.20609	6.5
247.24240	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	247.133
Annotation	Parishin B
Peak:m/z	Relative Intensity
52.57528	0.8
53.03943	4.5
55.01873	1.9
55.05513	4.6
57.07065	1.1
60.35426	0.7
65.03943	3.9
67.05503	4.0
69.03429	19.5
69.07069	1.8
69.35059	1.7
69.35457	8.0
79.05490	9.2
81.07053	10.6
83.04980	20.3
83.08611	1.0
84.15477	0.8
85.06512	0.8
87.20786	0.7
91.05479	15.9
93.03395	4.1
93.07040	14.7
95.04962	7.2
95.08617	4.4
97.02905	7.1
97.06548	1.1
101.68145	0.8
103.05447	1.1
105.07025	16.3
107.04940	2.4
107.08594	15.5
107.21928	0.9
109.02877	19.4
109.06518	14.8
109.10152	2.7
111.04439	6.7
111.08089	1.5
115.05433	3.7
117.07030	8.7
119.06025	0.8
119.08579	20.4
121.02868	4.5
121.05648	1.3
121.06501	20.9
121.10141	9.0
122.07335	1.3
123.04452	0.8
123.08060	2.1
125.05996	1.2
127.07590	0.9
128.06218	3.1
129.06998	6.3
130.07790	2.1
130.85800	0.7
131.08562	21.5
132.05690	1.4
133.06488	2.4
133.10132	12.2
135.04387	0.9
135.08054	26.8
137.05989	7.7
137.09639	4.0
137.97316	0.7
139.03909	1.8
141.07007	2.5
141.62341	0.7
142.07785	2.5
143.08549	12.5
144.09344	10.9
145.06465	10.4
145.10121	13.5
146.07213	1.4
147.08075	4.6
148.82138	0.7
149.05959	1.3
149.09621	18.5
150.10358	3.9
151.11179	3.0
153.06981	2.4
153.09090	1.8
155.08499	4.9
155.12221	0.8
156.09349	1.8
157.06523	1.3
157.10123	5.0
158.07321	1.5
158.10910	13.8
159.08069	9.7
159.11696	29.7
159.13020	1.5
160.08835	3.2
161.09607	4.5
163.07542	19.9
163.11217	2.1
165.09125	1.9
168.09338	4.3
169.10120	2.6
170.10904	4.6
171.08060	8.4
171.11623	1.9
172.08821	12.6
173.05991	2.0
173.09641	24.5
173.13261	43.0
175.07570	1.9
175.11136	1.4
175.14799	0.9
177.09088	0.9
178.07834	1.4
181.06453	2.1
183.11703	8.6
185.09602	1.7
185.13220	3.6
186.10394	25.8
187.07573	2.7
187.11182	100.0
188.11609	1.7
189.09087	3.5
191.07027	28.7
191.14383	0.9
196.08855	4.9
199.07549	2.2
201.12746	68.7
203.14349	1.0
205.12225	9.1
211.11171	9.9
214.09904	3.5
219.13789	5.6
229.12244	70.4
230.12645	1.3
247.13306	65.7
247.17171	2.8
247.20609	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	245.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.4
57.07059	5.1
59.68028	1.8
67.05497	6.7
69.07056	12.7
70.29359	7.5
79.05461	4.1
81.07064	20.9
83.08604	6.6
84.04533	2.2
91.05473	6.9
93.07037	11.9
95.08612	21.8
97.10184	4.0
105.07040	9.1
107.08583	18.4
109.10155	18.5
111.11803	1.9
119.08585	16.6
121.10147	16.2
123.11709	11.2
126.05474	1.7
133.10120	13.5
135.11708	13.3
136.60397	1.8
137.13223	4.1
147.11667	10.1
149.13277	13.7
161.13255	10.7
163.14827	15.6
175.14844	18.7
189.16393	16.9
203.17966	9.8
245.04457	3.6
245.22643	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	247.1079
Annotation	N-Acetyl-DL-tryptophan
Peak:m/z	Relative Intensity
55.05503	4.6
56.96578	2.1
67.05508	2.9
69.03417	3.2
69.07076	3.4
70.85125	4.5
79.05489	3.5
81.03442	2.2
81.07050	5.6
85.02903	2.8
85.06559	2.4
88.03967	1.8
91.05477	4.7
93.07053	3.2
95.04944	3.9
95.08597	3.5
98.97523	1.9
105.07044	8.8
107.08597	6.5
109.06483	1.8
109.10186	1.7
115.05481	2.9
117.07003	2.4
118.06550	14.2
118.63889	1.7
119.08601	5.9
121.02894	2.9
121.06508	2.6
121.10185	2.4
123.90840	1.6
127.03905	1.7
129.07045	2.4
130.06529	45.9
131.08553	6.1
131.19984	1.8
132.08086	29.4
132.09004	2.8
133.10147	3.3
135.08038	2.6
142.06532	7.1
142.07709	2.2
143.08607	1.9
144.08122	9.6
144.09070	1.9
145.06416	2.3
145.10143	6.6
146.06012	49.7
147.08057	3.5
147.11633	1.9
149.09593	3.0
151.07475	2.6
158.08522	2.0
159.09184	100.0
160.07590	8.3
168.53728	1.7
170.05992	22.9
173.09669	2.4
173.13165	3.1
177.00644	2.6
177.09004	2.1
183.11749	2.3
184.07661	3.4
187.07333	2.2
187.08730	12.7
187.11238	3.6
188.07072	84.8
201.10252	71.3
201.12436	2.7
201.12834	3.5
205.09729	19.7
229.09726	8.5
229.12128	3.2
229.15790	3.2
229.19571	2.6
247.05980	3.1
247.09630	3.3
247.10974	2.5
247.13350	7.3
247.16869	10.2
247.20662	3.3
251.65446	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	245.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14963	0.2
56.05028	0.4
56.96555	0.7
57.40199	0.2
61.02929	0.3
67.05492	0.4
69.07072	10.3
70.06590	0.4
70.86246	0.4
70.86588	0.3
79.05515	0.3
80.39381	0.3
81.07081	0.5
81.46316	0.3
82.92333	0.3
83.04971	0.3
84.08179	0.2
86.09710	100.0
87.04468	0.4
87.10101	0.3
91.05489	0.4
93.07033	0.4
95.08606	0.6
97.02858	0.3
97.06580	0.3
98.97593	0.8
105.07015	0.3
108.78955	0.3
116.98642	0.8
119.08615	0.3
121.10168	0.5
127.54951	0.3
132.09270	0.4
132.10199	2.1
133.10129	0.4
134.99658	0.9
137.09702	0.3
142.03200	0.6
145.10149	0.5
167.10750	0.5
167.97302	0.3
175.14899	0.3
187.07481	0.3
189.04471	0.4
199.18095	0.9
233.08687	0.3
245.13460	0.8
245.18637	6.4
258.80411	0.2
269.97070	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.186
Annotation	Ile Ile
Peak:m/z	Relative Intensity
55.05514	0.3
55.35480	0.2
66.30722	0.2
67.30058	0.2
69.07065	0.7
70.06580	0.3
70.36780	0.7
70.54028	0.1
81.07059	0.4
86.09702	100.0
87.10012	0.3
91.05482	0.3
93.07024	0.5
95.04948	0.2
95.08655	0.3
98.97587	0.3
105.07040	0.3
107.08587	0.5
108.96906	0.2
109.10144	0.3
111.08086	0.2
116.98621	0.2
119.08598	0.2
121.10141	0.5
123.08024	0.2
128.06087	0.2
132.10197	3.3
133.10152	0.3
142.03203	0.6
146.53554	0.2
167.10547	0.2
193.93593	0.2
199.18077	1.6
227.17740	0.2
245.08282	0.2
245.15819	0.2
245.18602	7.3
245.22447	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0058
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	25.1
60.08160	3.9
61.02918	5.8
63.43045	2.4
64.16538	2.3
69.03445	3.2
69.92747	12.4
70.06589	4.0
70.98101	2.6
71.95220	2.6
72.20506	2.4
77.54719	2.5
81.03368	2.6
85.02890	5.6
93.48654	2.5
94.93024	2.4
97.02901	2.9
98.97569	16.0
101.00864	7.4
104.10745	100.0
105.11089	4.8
113.03487	2.6
115.02397	3.0
116.98602	13.1
119.01906	22.7
131.01927	7.7
134.99673	6.4
137.02983	4.4
143.01901	6.9
145.03468	5.4
149.01180	3.3
155.01831	6.7
155.04550	3.1
157.03473	4.7
160.97542	4.5
161.02971	10.9
173.02940	11.1
184.97482	3.0
185.02945	12.5
188.97096	9.6
191.02362	2.9
193.00270	5.1
202.98605	5.6
203.03970	6.0
206.98163	7.0
220.99722	5.1
221.05070	3.0
237.85048	2.4
245.04953	16.3
258.68057	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03941	3.4
55.01865	5.7
55.05509	22.2
56.96566	2.0
57.03422	4.0
57.07065	3.5
59.05006	17.3
61.02917	4.0
67.05506	45.2
68.85230	1.5
69.03414	5.7
69.07069	14.1
70.52472	5.6
71.04996	41.4
73.06537	1.9
79.05064	3.0
79.05496	46.5
79.14422	1.6
79.45526	1.3
81.03418	27.3
81.07056	58.4
83.04983	18.6
83.08618	11.1
85.02904	2.8
85.06538	11.6
87.04468	6.5
91.05482	55.5
93.07045	34.9
95.04971	18.2
95.08614	27.0
95.09177	2.9
97.06537	15.7
97.10155	4.4
98.97588	2.8
99.04446	2.2
99.08088	3.2
101.06043	1.7
105.06384	2.9
105.07031	34.5
107.04970	2.9
107.08594	38.2
109.06508	13.0
109.10169	9.1
111.04440	3.2
111.08081	9.5
113.05988	7.2
115.03934	2.1
115.05405	1.7
116.98605	2.1
117.06996	2.9
119.08585	26.7
121.06536	2.8
121.10142	32.9
123.08057	8.2
123.11710	5.8
125.05984	2.4
127.07543	2.4
129.06998	13.0
131.08575	24.4
133.06476	2.9
133.09114	2.1
133.10132	40.1
134.29807	1.4
135.08060	3.9
135.11702	2.5
135.52925	1.5
137.09602	2.2
139.11115	1.8
141.07019	1.7
142.07828	3.6
145.10138	7.1
147.08012	4.1
147.09131	1.5
147.11688	46.2
149.09624	34.3
149.13208	1.8
151.07649	2.2
151.11195	3.3
155.50284	1.4
157.10123	24.8
159.11719	5.3
161.13245	1.6
165.12746	6.1
167.10690	6.8
171.11789	1.8
173.13271	4.2
175.11191	28.8
175.14345	1.7
179.14380	3.5
181.12234	1.8
183.11790	1.9
185.08066	4.4
185.11839	1.6
185.13312	1.8
187.14880	3.6
193.12253	40.9
193.13960	1.5
197.13472	3.3
197.15308	21.8
199.13290	7.7
207.13802	4.4
211.13272	28.3
215.17995	1.7
225.14845	100.0
243.06517	2.2
243.10194	2.6
243.13731	6.1
243.15544	2.2
243.17920	7.0
243.21132	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	243.1591
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03948	2.6
53.42510	2.8
55.01851	2.7
55.05500	11.8
57.03426	4.0
58.36951	2.6
67.05506	16.3
69.03426	11.8
69.07054	9.8
70.06578	3.2
71.04996	30.1
71.60556	2.7
71.60907	3.0
79.05511	14.1
81.03411	4.1
81.07066	25.8
83.04990	14.8
83.08613	4.5
85.02904	6.7
85.06549	7.8
86.09673	3.2
91.05473	22.0
93.07047	33.0
95.04966	22.9
95.08610	40.5
97.02880	6.6
97.06515	10.0
98.97575	9.7
99.04453	14.6
99.08047	3.3
103.05412	3.2
105.07022	40.4
107.04926	4.1
107.08599	82.7
109.06515	60.4
109.10161	45.6
111.04436	5.1
111.08075	4.8
113.06010	3.4
116.98603	5.3
117.07006	5.0
119.07788	5.2
119.08585	61.7
121.06523	3.8
121.10146	47.2
123.08063	33.4
123.11678	3.2
125.09612	4.8
127.96741	2.5
128.06265	3.2
129.04050	2.6
129.06934	3.6
130.07790	2.6
131.08588	26.3
131.59964	2.5
133.06476	5.4
133.10136	13.6
135.08124	2.9
135.11694	11.9
137.09627	47.2
137.13243	3.1
139.07536	2.9
139.11133	3.1
143.08557	6.0
145.06595	2.9
145.10115	21.1
147.08044	10.9
147.11702	33.9
149.09613	92.5
151.07518	12.2
151.11194	3.3
156.09348	10.6
159.11682	19.6
161.09679	3.3
161.13304	26.4
163.11206	10.3
165.12755	11.1
167.10690	17.1
171.11711	17.4
173.05956	3.1
177.00613	3.6
177.12779	14.6
179.14310	3.6
185.11758	13.1
189.12755	68.5
197.05876	5.8
207.13814	78.6
215.07076	3.4
222.08273	6.8
223.09235	3.6
225.14848	100.0
231.08853	8.9
238.61700	2.7
243.06566	11.3
243.13928	2.8
243.15903	60.5
243.21130	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	243.1592
Annotation	[1R-(1alpha,2beta,3beta)]-3-Hydroxy-2-(hydroxymethyl)-3-methyl-gamma-methylene-cyclopentanebutanoic acid methyl ester
Peak:m/z	Relative Intensity
53.03943	1.5
55.01870	4.0
55.05508	18.2
57.03436	6.0
59.04999	1.5
65.92530	1.3
67.05507	19.3
69.03429	5.6
69.07059	6.5
71.04996	5.9
79.05499	21.1
81.03419	74.6
81.07056	21.9
83.04983	23.7
83.08627	25.0
85.02897	8.3
85.06549	1.9
91.05486	18.7
93.07047	12.4
93.13441	1.3
95.04971	23.2
95.08627	10.5
97.02914	4.2
97.06550	4.9
97.10156	7.0
100.11259	4.3
105.07038	18.2
107.04972	5.0
107.08615	7.2
109.06522	5.3
109.10167	4.0
111.04458	2.6
111.08092	14.8
113.06012	2.3
119.08595	15.4
121.10133	6.3
123.08047	3.7
129.07005	9.6
131.08559	9.1
133.06577	2.5
133.10135	9.7
137.09657	1.9
142.07809	2.5
142.15910	6.4
143.16241	6.9
145.10083	2.5
147.08040	3.1
147.11685	12.3
149.09642	5.8
157.10121	13.2
165.12805	2.5
169.10161	1.4
175.11188	16.4
187.14818	1.5
187.22516	2.5
193.12247	90.7
194.12692	1.6
211.13295	100.0
225.14861	14.2
242.28584	2.4
243.13882	2.3
243.17493	2.9
243.21129	5.3
243.28773	25.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.175
Annotation	Valeroidine
Peak:m/z	Relative Intensity
55.01866	4.3
55.05504	1.3
56.05021	2.0
56.96556	1.7
59.14559	0.7
66.14346	0.8
67.05501	2.4
68.05035	1.4
69.03431	1.3
69.07074	2.0
70.06592	5.4
70.38056	2.5
71.01303	0.8
71.04998	20.3
71.08638	11.2
79.05508	1.4
80.05034	1.3
81.07055	2.1
83.04983	1.3
84.08144	1.0
86.06087	4.4
91.05492	1.7
93.07036	1.4
94.06527	1.1
95.08616	2.0
96.08137	21.9
98.06049	1.3
98.09692	17.8
99.08092	7.6
105.07050	1.1
108.08114	5.9
109.10139	1.4
112.87370	1.0
116.98614	2.0
119.08573	1.1
119.46037	0.8
122.06031	10.8
125.08396	2.1
126.09139	1.2
126.12804	2.1
131.26527	0.9
136.07562	1.7
138.98523	0.9
139.11180	1.8
140.07095	9.3
154.12267	3.0
154.97620	0.8
178.15909	6.6
187.09746	0.9
196.16991	9.7
200.07890	1.0
206.15407	11.1
224.16461	100.0
225.16797	2.3
242.08687	0.9
242.17543	3.4
242.28358	1.3
243.06363	1.4
243.17384	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	243.1591
Annotation	Annuionone F
Peak:m/z	Relative Intensity
50.00982	2.4
55.01881	2.1
55.05510	8.2
56.15543	2.1
56.96561	2.5
57.03432	3.8
57.07086	3.0
59.16382	2.1
67.05502	23.1
69.03436	9.4
69.07066	14.2
70.29034	12.4
71.04990	27.1
79.05489	12.5
81.03416	4.9
81.07055	26.0
83.04974	15.8
83.08627	3.1
83.11295	2.4
84.04508	2.8
85.02896	7.3
85.06559	10.6
88.57207	2.2
91.05482	16.5
93.07049	27.7
94.11790	2.3
95.04961	18.3
95.08603	33.8
97.02927	4.6
97.06530	10.3
98.97578	7.3
99.04434	17.5
105.07034	35.5
107.04949	5.9
107.08593	73.8
109.06521	50.6
109.10155	43.9
111.04425	3.1
111.08086	7.1
116.98613	6.2
117.07014	2.9
119.08575	59.2
121.06488	6.6
121.10137	37.6
123.08047	30.3
123.11692	4.1
125.09615	4.4
127.07543	2.1
129.06973	3.8
131.08563	19.2
133.10107	14.4
135.11700	15.1
137.09615	40.7
137.13313	2.4
139.11128	4.4
143.08556	4.6
145.10129	15.7
147.08055	8.0
147.11690	28.7
149.09621	100.0
151.07510	8.9
156.09351	8.8
156.48566	2.2
159.11688	12.4
161.13231	18.5
163.11189	12.0
165.12752	9.3
167.10683	20.5
169.08653	3.5
171.11684	18.7
174.10425	2.7
177.12700	14.6
177.84195	2.3
179.14304	3.0
182.56551	2.4
183.11612	2.4
185.11748	21.9
189.12738	57.6
189.14432	3.4
207.13789	71.0
222.08388	3.9
223.09163	4.0
225.14845	86.1
242.40068	2.5
243.13518	2.6
243.15903	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	242.087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.9
57.03431	11.7
58.06586	5.1
59.06914	1.6
61.02915	5.3
68.54333	1.4
70.64701	3.3
70.65077	3.0
71.01340	7.3
71.04977	2.4
73.02904	4.8
84.08127	2.0
85.02884	6.3
87.04465	6.7
89.02392	5.7
93.17431	1.5
98.97624	1.5
101.02379	16.0
103.03918	2.1
103.62051	1.3
113.02362	2.2
115.03916	29.5
127.03928	1.8
129.01823	17.1
129.10994	1.2
129.66451	1.6
143.03387	14.7
145.04903	2.7
147.02777	1.6
157.01334	28.7
161.04460	14.9
171.02809	4.1
175.02397	2.0
189.03932	100.0
207.04950	8.5
224.07707	2.4
242.15799	48.1
244.99542	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	241.1547
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.30004	0.3
53.03959	0.3
56.96545	0.8
58.06600	15.9
70.06589	2.6
70.83911	0.5
70.84302	0.6
79.45570	0.3
81.03397	0.6
84.08142	8.4
97.02869	0.5
98.06020	0.3
98.09709	1.3
98.97576	1.7
100.11237	0.6
113.97324	0.3
114.05542	0.3
116.07097	0.4
116.10728	0.4
116.98607	1.0
126.05492	0.3
126.09129	0.5
127.90527	0.2
128.10699	3.6
134.99651	0.6
140.00230	0.3
144.10199	1.0
148.39537	0.3
155.04625	0.4
158.01271	0.3
158.08195	0.4
158.99776	0.3
168.10205	1.2
177.00731	0.6
196.09691	5.2
213.16019	0.5
241.15463	100.0
242.15765	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05501	3.8
56.96566	42.4
57.03416	10.0
57.07077	39.3
58.06578	4.3
61.02938	5.9
67.05508	25.4
69.03426	18.2
69.07053	4.4
70.06578	3.9
70.48852	6.1
70.49251	6.0
72.08122	3.2
73.02905	11.0
79.05501	3.9
81.03411	8.6
81.07104	3.3
82.62432	2.6
83.06110	15.3
84.08126	5.0
84.96050	3.8
85.02900	26.0
85.06538	14.3
86.06044	2.9
86.09718	3.7
87.04465	4.3
90.94829	3.0
97.02908	13.6
98.06048	6.4
98.97590	100.0
99.04480	3.2
107.04938	9.1
109.02815	3.1
110.97584	11.7
112.07626	4.5
116.98631	78.0
119.01828	10.4
123.04408	3.1
127.03916	4.1
128.02315	5.4
128.98596	14.9
129.10214	4.6
130.08640	8.5
131.00192	3.6
134.99664	45.1
135.04416	5.1
140.00148	6.2
140.98611	3.1
143.00172	4.0
146.02347	4.1
146.99658	19.6
147.03217	3.5
152.04135	12.5
155.02806	6.7
155.04672	11.1
156.01859	3.4
158.99664	49.5
159.03276	5.0
161.01276	5.9
161.02884	6.4
161.03154	5.0
161.04649	91.6
161.54831	8.0
164.05199	12.9
165.00697	3.9
165.04337	3.3
169.54852	7.4
170.03543	7.0
170.05174	25.7
170.99648	11.1
172.55412	15.5
173.05638	3.3
174.04404	3.9
177.00716	91.2
177.04251	9.8
178.04947	3.0
181.00137	2.9
181.55978	3.7
182.03381	6.7
186.04355	6.8
189.00703	23.7
191.03885	11.9
195.01764	8.7
196.09727	3.4
196.14348	3.4
200.00372	2.8
200.02269	7.8
200.04405	11.4
201.00732	7.8
204.05386	8.6
207.01831	5.4
219.01772	63.3
231.01802	8.6
233.06841	17.7
237.02841	32.7
242.07295	25.6
242.09926	8.1
242.15736	29.6
242.57368	4.5
249.02881	12.2
255.03842	5.5
255.49214	2.9
261.02853	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	241.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03962	1.6
55.01867	4.6
55.05510	8.7
56.96558	1.5
57.03441	1.9
57.07072	3.0
57.15604	1.0
61.72440	1.0
67.05502	11.9
69.07058	7.2
71.04987	2.6
71.61172	1.7
73.02930	1.5
79.05491	18.1
81.03416	3.6
81.07059	14.8
83.04980	4.0
83.08615	7.8
91.05479	5.3
93.03721	4.7
93.07048	26.8
95.04975	4.4
95.08607	26.7
97.02876	2.6
97.06542	3.9
97.10193	2.2
98.97584	2.8
99.04443	5.2
105.07031	5.6
106.96386	1.2
106.97358	1.1
107.04949	7.8
107.08601	20.1
108.39665	1.1
109.06495	1.6
109.10160	2.3
111.04494	1.8
111.08040	1.1
116.98623	2.2
117.06268	1.7
117.07007	9.3
119.08580	6.2
121.06519	5.4
121.10149	10.1
123.08125	2.0
125.05977	2.3
130.07790	1.6
134.99678	4.6
135.11702	34.4
145.10120	23.7
149.09717	1.3
158.01196	2.0
163.11188	45.8
173.09564	1.2
181.12227	11.4
191.10782	1.8
196.89908	1.1
209.11641	1.9
223.13359	1.6
223.16829	1.3
227.12785	100.0
228.13225	2.0
241.12103	2.8
241.14259	2.9
241.19695	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	241.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	0.3
58.06601	15.3
60.18596	0.3
66.03945	0.3
69.03432	0.3
70.06602	2.3
71.21130	0.3
71.21443	0.3
72.08131	0.3
73.74166	0.3
76.59338	0.2
81.03402	0.5
83.04965	0.3
84.08143	8.8
85.02903	0.3
85.06490	0.2
90.94869	0.3
98.09681	1.4
98.97604	0.4
100.11240	0.3
101.00909	0.3
104.10736	4.1
105.86359	0.2
116.10789	0.4
119.01917	0.4
121.53407	0.3
126.05516	0.3
126.09138	0.4
128.10718	3.7
144.10205	1.1
152.10753	0.4
168.10231	0.9
196.09695	5.4
224.80765	0.2
241.15468	100.0
242.15805	0.6
253.34198	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	240.232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.1
55.05508	0.9
55.75491	0.1
56.96550	0.2
57.07075	12.3
58.06599	2.3
67.05167	0.2
67.05500	1.9
67.79726	0.1
69.07067	0.7
69.49662	0.4
69.50089	0.4
71.04987	0.1
71.08629	7.0
79.05494	0.1
81.03387	0.1
81.07053	2.2
83.08617	2.1
85.10181	4.3
89.45030	0.1
91.05511	0.1
93.06992	0.2
95.08604	6.0
96.08944	0.1
97.10159	0.7
98.97570	0.1
99.08070	0.2
99.11728	0.3
109.10154	3.6
112.07632	0.1
116.98561	0.2
121.10185	0.1
123.11713	0.8
127.22112	0.1
134.99637	0.2
165.16376	0.4
183.17450	4.4
183.19093	0.2
195.08124	0.1
198.06769	0.2
209.41396	0.1
226.06216	1.2
240.23209	100.0
241.08575	1.4
241.23613	1.1
244.75482	0.1
258.25247	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	241.0497
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96297	1.3
56.96564	21.2
61.02903	1.1
69.88042	6.8
71.95248	2.3
81.03426	1.2
98.97584	100.0
114.12441	1.0
116.98619	96.6
119.01944	1.2
122.03963	0.9
134.99657	55.6
140.00157	4.6
153.00700	8.9
158.01274	9.0
174.97600	2.6
176.02354	3.3
177.00743	8.5
183.98109	1.5
185.96043	1.5
186.48407	4.2
186.98508	2.5
187.48271	1.3
194.96519	3.4
195.01793	5.7
195.48906	1.0
199.01331	1.4
203.97032	20.6
204.47087	3.7
205.94920	1.1
206.47278	4.3
208.02005	2.4
208.52077	1.4
212.92258	1.9
212.97510	7.4
214.96452	1.2
215.47835	8.6
215.64568	1.1
216.49574	1.1
217.02480	1.6
218.02507	1.2
219.01999	3.4
224.48224	1.2
226.03087	2.0
226.46320	2.2
230.93343	3.8
232.96657	2.0
235.46790	1.5
235.99797	1.9
237.97133	1.6
248.94406	1.5
254.93396	5.0
256.96719	1.7
258.96860	1.7
258.99783	11.9
259.99988	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	241.0496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94916	0.5
55.05495	2.2
56.96565	4.5
57.03429	1.1
57.07063	1.3
58.06599	13.8
61.02910	1.0
67.05489	1.9
69.03432	2.4
69.07072	2.6
69.82150	3.4
70.06591	3.2
71.04993	1.0
73.02905	0.8
75.02628	0.6
79.05489	0.8
81.03423	1.1
81.07050	1.6
83.04965	1.1
83.08624	1.6
84.08143	8.6
84.96011	0.7
85.02884	2.3
85.06527	1.0
91.05457	0.9
93.03753	3.2
93.07047	0.9
95.04976	0.6
95.08615	1.0
97.02882	2.2
97.06512	0.9
98.09697	1.6
98.21430	0.9
98.97579	5.4
99.04462	1.2
107.04945	0.9
107.08638	0.8
109.10161	0.6
111.08064	0.6
116.98628	6.5
121.06484	0.6
121.10122	1.1
123.08048	0.6
127.03904	0.9
128.10716	2.2
128.98602	0.6
134.99670	6.7
135.08089	0.5
135.11691	0.5
137.05977	0.7
137.09599	0.6
144.10158	1.3
145.10199	0.5
146.99652	1.1
153.00716	1.8
155.04593	1.1
158.01295	1.4
158.63686	0.5
158.99661	1.6
161.04681	1.5
163.02853	0.5
168.10173	0.7
170.05060	0.5
176.02325	0.7
176.05276	0.5
177.00743	3.1
177.05742	0.5
195.01779	1.2
196.09685	3.9
197.16371	0.7
198.98981	0.5
205.12219	0.5
211.10895	0.5
219.01692	1.0
235.01244	0.6
237.02870	1.0
241.06860	1.1
241.15474	100.0
243.20184	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2004
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.64739	2.6
51.31033	2.5
55.05509	26.9
57.03444	3.8
57.07079	21.0
59.05000	13.0
67.05509	25.6
69.07067	58.2
70.00621	16.1
71.04987	22.2
71.08624	3.6
79.05496	17.7
79.15083	2.7
81.07056	100.0
83.04987	4.5
83.08629	23.1
85.02898	5.1
85.06539	10.0
89.06008	2.8
91.05482	10.9
93.07045	47.2
95.04963	7.8
95.08612	83.8
97.06531	10.1
97.10168	17.3
98.97584	3.9
99.08083	9.4
105.07032	27.2
107.08593	60.8
109.06525	7.3
109.10159	48.2
111.08090	8.2
111.11719	35.3
113.05977	2.7
113.09690	4.9
115.07569	4.1
119.08572	50.1
121.10137	24.6
123.08038	4.3
123.11717	32.7
125.09621	8.2
125.13305	6.5
127.11199	10.1
129.09128	5.5
131.08549	4.0
133.08641	3.0
133.10126	31.6
135.11688	87.0
137.09593	5.6
137.13263	28.1
139.11211	5.8
143.10674	5.0
147.11687	25.7
149.13243	27.9
151.11209	4.7
153.12764	19.3
155.08517	4.8
161.13255	12.7
163.14862	17.6
165.12807	4.8
167.14412	3.8
169.10117	7.8
175.14824	5.3
177.16440	9.6
179.14333	7.7
183.11694	8.1
193.15880	3.9
193.19524	6.4
197.13206	4.3
203.17966	70.6
204.18283	3.3
209.13327	3.3
221.15477	5.4
221.19005	76.1
239.08984	14.2
239.14413	5.4
239.17976	9.9
239.20030	64.7
239.23727	4.9
245.29359	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	240.1595
Annotation	Salbutamol
Peak:m/z	Relative Intensity
55.01869	6.5
55.05507	2.8
56.96556	1.7
57.07065	1.3
58.11261	1.1
60.18136	1.0
67.05489	3.2
68.05016	2.1
68.38812	1.0
69.03427	2.7
69.07071	12.8
69.77241	2.4
69.77655	3.8
70.02964	2.6
70.06591	15.1
71.04993	18.4
74.44743	1.2
79.05486	3.6
80.05006	1.9
81.07066	6.8
82.06623	1.2
82.07371	1.6
83.04959	1.0
83.08604	1.5
86.06060	2.8
87.32601	1.1
90.87357	0.9
91.05457	1.9
93.07038	3.2
94.06564	1.4
95.08604	3.4
96.04488	1.5
96.07514	0.8
96.08125	19.5
96.08813	1.6
97.06499	1.6
97.20895	1.2
98.06063	2.2
98.06809	1.1
98.09710	6.9
98.97566	2.9
105.07010	1.7
106.06538	3.4
107.08589	3.8
108.08094	3.9
109.10142	2.5
111.04417	2.0
112.07555	1.0
116.98631	2.7
118.31503	1.1
119.08573	1.7
120.08114	1.2
121.10087	1.4
122.06046	8.7
124.07592	57.4
125.08363	3.6
125.09537	0.9
126.09109	1.8
128.98611	0.9
133.10123	1.8
134.09607	1.2
134.99629	2.0
135.11674	1.6
137.09615	1.3
140.07057	9.4
150.12766	5.6
151.74257	1.0
152.07008	2.2
152.10666	1.3
153.07845	8.4
157.10197	1.0
176.14317	3.7
177.00612	1.1
177.12489	1.1
194.15387	6.5
204.13820	6.7
222.14890	100.0
223.13223	1.3
240.06624	2.3
240.09024	1.3
240.12328	1.1
240.15909	6.9
240.19667	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	239.2006
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
50.83346	3.2
51.33989	3.5
55.01864	4.7
55.05513	29.0
56.96557	8.1
57.03441	5.1
57.07078	83.3
59.04987	4.9
63.35540	3.3
64.44164	3.2
65.03934	3.3
66.89165	3.0
67.05509	45.0
69.03430	13.2
69.07068	46.2
69.51630	30.3
71.05000	17.8
71.08611	5.4
78.64818	2.9
79.05510	19.9
81.03396	4.6
81.07059	67.3
82.97927	3.3
83.04974	15.5
83.08608	19.0
85.02911	22.9
85.06545	54.4
89.06007	8.5
91.05470	13.6
93.07051	37.9
95.04964	42.4
95.08606	84.3
97.06532	20.4
97.10157	9.5
98.97607	4.1
99.04456	6.8
99.08096	4.8
105.07033	31.5
107.08591	38.9
109.05796	5.6
109.06525	100.0
109.10164	54.5
111.08083	10.1
111.11699	8.6
113.09631	6.9
115.07486	3.3
116.98613	6.1
119.08580	28.8
121.06511	8.1
121.10138	17.9
123.08061	24.6
123.11705	22.2
125.05959	4.1
125.09619	11.8
127.11182	5.5
131.08543	8.1
133.08659	4.5
133.10129	25.6
135.08057	7.3
135.11697	25.7
137.09654	21.7
137.13255	17.0
139.07472	4.7
139.11127	5.3
143.08565	5.2
143.62561	4.0
145.10136	4.4
147.11635	15.9
149.09688	4.2
149.13255	11.6
151.14841	3.4
153.09085	12.5
155.08546	9.3
155.10695	10.4
157.10085	7.1
159.11728	7.5
161.09595	10.9
161.13266	14.9
163.07411	4.2
163.14775	8.4
165.09073	10.2
165.12750	4.6
168.09210	4.2
169.10135	14.9
175.11172	6.7
175.14842	9.7
177.00729	3.9
177.12769	6.5
179.10692	13.5
179.14301	13.4
179.17953	4.9
182.10945	3.5
183.11691	20.1
193.12198	5.6
193.15892	7.4
197.13237	9.2
203.14253	8.3
203.17947	31.4
206.11041	3.4
209.13324	3.8
221.11697	12.0
221.15334	22.4
221.18979	28.6
233.51726	4.3
239.06966	5.4
239.08885	39.8
239.10716	4.1
239.12671	7.8
239.14427	6.3
239.16383	19.9
239.18034	20.6
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	239.1642
Annotation	5,8-Dihydroxy-14-nor-7-marasmanone
Peak:m/z	Relative Intensity
53.03938	4.7
55.01860	4.5
55.05268	2.1
55.05513	28.6
56.96550	2.8
57.03444	8.0
57.07077	9.5
59.04976	1.8
64.45889	1.4
65.03938	1.8
67.05174	2.5
67.05507	38.8
69.03435	9.8
69.07072	37.4
69.55487	10.6
69.55901	2.6
71.04988	7.5
71.08623	2.8
71.47535	1.5
79.05496	34.2
81.03419	66.9
81.06577	2.3
81.07059	39.4
82.77170	2.0
83.04984	34.3
83.08635	11.1
85.02896	2.6
85.06524	7.4
89.06023	4.3
91.05476	28.3
93.06472	2.1
93.07049	32.4
95.04968	15.2
95.08041	2.7
95.08606	31.6
97.06526	9.0
97.10143	2.6
98.20749	3.3
99.04449	3.7
99.08039	1.9
105.07029	16.4
107.04934	3.0
107.08603	16.5
109.06511	11.7
109.10159	16.7
111.04364	1.7
111.08074	4.5
113.09657	1.6
116.98627	2.3
117.06998	5.2
118.13709	1.5
119.08604	22.0
121.06520	14.9
121.10130	10.6
123.08064	9.0
123.11685	2.9
125.09608	2.0
129.06973	5.5
131.08600	9.8
133.06490	2.4
133.10149	10.6
135.08038	4.5
135.11667	6.5
137.09622	6.0
137.13287	2.2
139.07591	1.6
143.08568	7.1
145.10086	2.1
147.08058	1.7
147.11664	4.1
149.13303	1.8
151.11182	2.6
154.35771	1.7
157.10153	5.7
159.11674	5.5
161.09575	3.1
161.13229	4.8
173.13258	2.7
175.11278	1.9
175.14854	9.0
183.11694	3.6
185.13269	11.4
193.15964	5.6
197.13258	3.8
203.14328	5.9
203.17781	2.1
221.15370	100.0
239.08922	17.2
239.12685	3.5
239.16257	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	239.1641
Annotation	Canusesnol H
Peak:m/z	Relative Intensity
50.12857	5.8
55.01867	9.1
55.05504	35.4
56.96554	11.6
57.03425	9.4
57.07059	19.2
59.05006	8.9
62.23668	5.8
65.83459	5.8
67.05505	68.6
68.07957	5.9
69.07055	38.1
71.04993	48.0
71.59936	9.1
79.05493	39.9
81.03400	10.9
81.07058	86.4
83.04967	19.3
83.08609	30.0
85.02898	11.8
85.06527	14.4
89.06030	14.9
91.05468	57.9
93.07050	59.7
95.04967	99.7
95.08611	58.3
96.76847	6.4
97.06527	59.6
97.10195	9.7
99.04434	18.5
105.07034	59.4
107.04961	39.4
107.08598	40.3
109.06502	11.2
109.10150	33.1
111.04434	17.2
111.08016	7.4
117.07021	26.8
119.08578	46.0
121.06490	14.7
121.10120	18.0
123.08056	11.1
123.11676	8.6
125.09695	6.5
129.07002	11.9
131.08559	14.7
133.06487	43.1
133.10094	20.9
135.08037	7.5
135.11685	11.7
137.09615	14.4
140.39932	5.8
143.08553	15.8
145.10114	13.0
147.08093	7.7
147.11688	11.0
151.11221	7.9
157.10161	6.8
159.11710	15.2
161.09604	6.5
161.13251	21.8
163.11163	17.9
168.04201	7.2
175.11208	7.8
175.14819	12.6
177.12729	12.9
179.14267	65.4
183.11746	16.4
185.13261	23.4
196.12527	6.5
197.13248	8.6
203.14319	17.7
212.58328	6.0
221.15352	100.0
239.08943	49.2
239.18147	26.9
239.23642	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
53.03960	1.5
55.01880	2.8
55.05505	16.4
56.96560	16.2
57.03431	5.2
57.07079	9.6
58.95750	1.3
59.04990	5.8
65.03944	1.9
67.05505	28.1
69.03422	13.5
69.07068	19.3
69.78458	8.3
71.04993	24.5
72.08154	2.9
73.02925	2.5
79.05491	15.8
81.03419	4.1
81.07055	90.8
83.05007	9.5
83.08607	7.5
84.08151	2.6
85.02898	6.7
85.06550	6.1
85.10201	2.5
86.09711	1.6
90.57262	1.5
91.05473	20.6
93.07042	100.0
95.04996	9.2
95.08606	46.4
96.08902	1.7
97.02893	8.6
97.06534	10.1
97.10179	4.5
98.97584	12.5
99.04453	4.7
99.08089	6.5
103.05470	1.5
105.07028	29.2
107.04956	3.4
107.08598	35.1
109.02887	2.1
109.06513	11.5
109.10157	24.5
111.08098	4.5
113.05996	9.4
113.09648	3.4
115.07569	3.0
116.98621	11.1
117.06995	5.9
118.06613	1.7
119.08575	20.2
121.06497	4.8
121.10135	19.4
123.08080	6.4
123.11710	41.8
125.06036	3.5
125.09621	7.3
127.03875	3.1
127.07548	2.6
127.11190	6.0
128.98581	1.7
129.07024	1.8
131.08562	9.0
133.05185	1.9
133.10135	45.5
134.99669	5.8
135.08052	9.4
135.11674	17.2
137.05977	1.8
137.09601	7.3
137.13257	2.9
139.11163	4.9
142.05676	2.3
143.10638	2.3
144.33148	1.6
145.10104	16.0
146.99657	2.1
147.08095	1.9
147.11685	14.1
149.09624	6.0
149.13248	8.5
151.07552	2.1
151.11176	30.3
153.09196	2.5
155.10666	2.8
156.08047	1.8
157.10098	4.0
158.99677	6.1
159.11676	17.7
161.02979	2.1
161.13258	7.4
163.02751	1.8
163.11180	5.3
167.06448	1.5
169.03462	2.6
173.09633	3.2
173.13280	9.8
175.11134	1.6
175.14854	4.7
177.00737	9.0
177.09193	2.6
177.12807	7.7
179.14149	2.3
179.49529	1.5
181.00000	1.6
181.08736	2.2
181.10242	1.4
181.12303	2.5
187.04553	2.7
187.06300	1.5
189.00975	1.7
191.07129	2.2
191.10727	1.9
191.14302	7.4
191.17944	5.8
192.06560	3.1
194.10628	1.6
196.06728	3.5
201.12796	2.4
201.16374	12.9
205.07304	42.9
205.57527	4.5
209.11737	2.4
216.09888	2.4
216.11934	2.1
216.58070	11.4
217.07468	1.8
219.01608	1.8
219.09921	5.1
219.13963	9.1
219.17426	37.1
219.20851	1.7
221.07172	2.2
223.08479	2.6
225.10428	2.5
228.10153	2.8
237.11038	5.1
237.14708	18.2
237.18509	31.1
237.22058	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	237.1849
Annotation	Sirenin
Peak:m/z	Relative Intensity
52.54239	1.9
53.03946	4.5
55.01862	3.4
55.05513	16.2
56.96567	6.8
57.03428	4.3
57.07067	10.8
59.04997	6.0
61.02452	1.9
67.05170	2.3
67.05508	29.7
69.03428	21.2
69.07068	20.6
70.77473	2.4
70.77803	4.3
71.04993	43.2
71.08642	3.1
79.05489	26.6
81.03406	3.5
81.07059	100.0
83.04992	11.0
83.08609	8.4
85.02910	5.7
85.06543	9.5
87.04456	2.6
91.05479	19.5
93.07047	90.1
95.04962	17.6
95.08614	54.5
97.02889	4.2
97.06528	12.7
97.10191	4.8
98.97572	12.5
99.04465	2.1
99.08105	12.8
101.06019	2.1
105.07034	39.6
107.08598	45.9
109.06508	23.1
109.10160	30.2
111.04433	4.0
111.08057	8.2
113.06031	9.6
115.03907	2.1
115.07591	2.5
116.98625	10.3
117.07028	7.2
119.08578	26.8
121.06506	5.6
121.10146	27.7
123.08089	11.1
123.11707	43.5
125.05993	3.8
125.09669	13.9
127.07555	4.9
127.11185	34.0
131.08588	14.2
133.10138	52.4
133.11081	4.3
134.99628	5.7
135.08057	7.9
135.11688	20.8
137.09618	7.0
139.07535	2.5
139.11180	4.6
143.10660	7.8
143.50711	2.0
145.10135	23.9
147.11702	16.5
149.09581	5.0
149.13257	8.8
151.11189	59.1
155.10645	14.2
158.99664	5.1
159.08157	2.7
159.11693	19.8
161.13271	7.0
163.07549	4.1
163.11172	6.8
163.14825	2.7
165.12747	2.4
173.09520	2.8
173.13281	9.0
175.11115	2.4
175.14804	3.9
177.00731	9.5
177.09161	2.5
177.12740	5.6
181.08711	2.5
191.10690	2.4
191.14288	5.9
191.17924	5.9
201.12784	3.0
201.16371	16.0
205.09041	2.6
219.09944	3.6
219.13980	9.7
219.17441	32.3
228.10165	5.4
237.07555	3.4
237.10942	7.8
237.14775	16.9
237.18498	46.2
237.22017	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	237.1486
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
53.03939	1.4
55.01856	5.4
55.05515	21.3
56.96560	3.8
57.03429	4.8
57.07061	5.9
59.04988	2.9
67.05504	13.0
68.79826	1.3
69.03436	10.4
69.07066	16.0
70.11868	5.1
71.04988	6.9
73.02895	1.6
75.04453	1.2
79.05494	14.7
81.03397	4.3
81.07052	17.8
83.04980	18.4
83.08604	1.9
84.08112	1.6
85.02891	6.1
85.06534	8.6
86.09686	2.0
87.04452	1.4
91.05481	18.7
93.07047	36.2
94.31950	1.3
95.04966	10.5
95.08608	19.2
97.02888	11.3
97.06535	14.6
98.03231	2.9
98.97584	3.7
99.04430	3.9
99.08071	2.4
103.05484	3.6
105.06384	2.2
105.07026	27.7
106.05291	1.2
107.04918	1.8
107.08594	35.7
109.02849	1.9
109.06523	15.8
109.10165	15.9
110.28959	1.2
111.04431	4.8
111.08134	7.1
113.09656	3.4
115.05449	2.2
116.06176	1.2
116.98592	3.3
117.07050	7.3
119.07793	2.3
119.08582	27.3
120.08076	2.3
121.06509	24.6
121.10145	18.8
123.08076	15.0
123.11687	4.5
125.05988	2.4
125.09601	2.5
127.03906	2.4
129.05367	2.1
129.06989	4.4
130.06619	1.7
131.04941	6.7
131.08571	13.0
133.06534	2.2
133.10127	23.1
134.99661	2.6
135.08063	22.7
135.11700	11.8
136.08829	1.7
137.05977	2.1
137.09604	12.1
137.13307	1.5
139.07547	2.6
139.11185	2.3
140.06982	1.9
143.08534	2.7
144.09282	2.1
145.10146	8.0
146.07185	1.6
147.08017	2.7
147.11691	12.7
148.05182	5.7
149.05972	2.2
149.08424	1.7
149.09613	28.9
149.13269	7.6
149.94560	1.7
151.07492	6.3
151.11189	8.1
152.06985	1.7
153.07341	1.9
153.07782	1.4
153.09106	17.9
157.10150	2.5
158.11075	1.6
158.99622	1.7
159.08005	5.1
159.11674	16.7
160.08713	1.8
161.05951	1.6
161.09636	30.3
161.13275	4.8
163.07549	8.7
163.11218	3.3
163.14781	1.6
165.09116	3.9
171.11636	2.2
172.08801	1.8
173.09621	3.9
173.13257	9.6
174.05498	1.9
175.11130	3.8
176.96860	3.7
177.00639	3.4
177.09050	5.0
177.12704	9.4
179.10696	14.7
180.11417	2.0
181.08653	2.8
186.10323	2.3
188.06541	2.0
188.54979	2.0
189.12735	5.8
191.07043	2.0
191.10635	2.6
191.14320	5.6
195.13788	3.3
198.06467	1.4
201.05229	2.4
201.12747	6.6
207.13815	9.4
209.15285	2.0
216.09607	3.5
219.10118	2.9
219.13788	15.3
219.21048	2.3
225.10069	2.5
226.09491	3.6
237.07265	3.1
237.09389	3.0
237.14832	100.0
237.22070	8.4
238.02763	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	237.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56722	1.0
53.03943	1.9
55.01884	4.9
55.02102	1.1
55.05505	6.6
56.96564	6.2
57.03436	11.9
57.07067	3.6
59.04977	1.2
67.05206	1.0
67.05505	8.6
69.03435	4.9
69.07066	6.6
69.57840	2.1
69.58237	8.5
70.06567	1.4
71.04984	6.2
72.08159	1.0
73.02911	1.2
75.04485	2.0
79.05487	9.5
81.03413	1.9
81.07053	12.2
83.04978	5.9
83.08594	2.5
84.08152	1.9
85.02903	4.3
85.06533	3.4
85.39413	1.0
86.09699	2.9
91.05473	9.3
93.07047	11.4
95.04967	4.5
95.08605	9.4
97.02873	2.8
97.06513	4.7
98.20735	1.2
98.97595	2.1
99.04427	2.3
102.04678	4.7
102.96869	1.0
103.05464	37.5
105.07032	19.1
107.04929	4.1
107.08595	13.3
109.06482	5.4
109.10172	5.7
111.04445	2.3
111.08091	2.1
115.05416	1.5
116.98619	2.4
117.07023	3.6
119.04926	1.7
119.08562	7.4
120.97909	1.5
121.06498	6.0
121.10113	6.2
121.14108	1.1
123.08056	4.2
123.11707	1.8
125.09657	2.8
127.03872	1.1
128.06203	1.5
128.67552	1.0
129.06993	2.1
130.04147	14.2
131.04926	95.6
131.08536	6.9
133.06494	6.7
133.10132	7.7
134.70964	1.2
134.99704	1.5
135.04384	1.3
135.08043	4.4
135.11682	4.3
137.06032	1.3
137.09605	3.1
139.07611	1.2
140.07085	1.4
145.06508	2.0
145.10110	6.4
146.06081	1.7
147.04419	3.3
147.08032	2.4
147.11671	3.2
148.05191	100.0
149.05974	1.5
149.09596	4.8
149.13268	2.0
151.07581	5.5
151.11176	4.6
153.09097	1.4
155.08598	1.4
157.06451	2.4
157.10170	1.2
158.07191	2.4
159.04326	1.6
159.08119	2.5
159.11662	6.9
160.05174	1.7
161.05969	18.7
161.09607	2.8
161.13292	1.3
162.06784	10.9
163.07538	71.8
163.11205	3.0
163.14845	2.0
173.06090	1.1
173.09581	1.7
173.13268	2.9
175.07568	2.0
175.11148	2.1
177.00586	1.6
177.09087	2.0
177.12747	4.3
181.08534	2.2
183.11627	1.9
191.07097	1.8
191.10643	3.0
191.14244	3.1
191.17836	1.2
192.06406	1.2
193.08696	1.4
195.10252	1.7
196.06874	1.0
201.09132	3.1
201.12715	4.1
201.16415	2.1
207.13866	1.7
208.08830	1.1
209.08015	1.5
219.08327	1.4
219.10254	5.0
219.13744	5.6
219.17415	2.6
236.56107	1.3
237.09254	1.9
237.11125	2.4
237.14719	19.7
237.18416	3.3
237.22104	8.0
238.06416	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	237.087
Annotation	Formylkynurenine
Peak:m/z	Relative Intensity
52.52822	0.6
55.01862	1.1
55.05487	2.1
56.96554	2.2
57.03420	1.1
57.07058	2.4
57.77034	0.7
59.04979	0.8
65.03936	1.0
67.05486	3.0
69.03428	1.0
69.07051	3.0
70.06580	1.7
70.14922	3.6
71.04981	2.0
72.08130	1.0
73.02914	0.7
74.02437	3.8
79.05495	3.5
80.05037	0.9
81.03451	0.8
81.07052	4.8
83.04977	3.7
83.08622	1.6
84.04499	1.1
84.08167	1.3
85.02887	2.3
85.74854	0.7
91.05469	3.0
93.07041	3.0
94.06577	4.3
95.04965	1.1
95.08616	3.9
95.84255	0.8
97.02852	0.8
97.06532	1.6
97.10183	0.9
98.20798	0.7
98.97553	2.3
99.00814	1.0
99.04433	0.8
103.05475	1.5
104.04980	1.3
105.07019	1.9
107.04935	1.5
107.08563	3.2
109.06489	2.0
109.10166	2.6
110.06048	2.0
111.08083	1.3
113.09667	0.8
116.98608	2.2
117.06985	0.8
118.06553	9.3
119.08593	1.4
120.04446	2.5
120.08105	39.9
121.06492	1.0
121.10137	2.9
122.06017	1.0
123.11672	1.1
125.09625	1.4
128.04939	4.4
129.10263	1.3
130.06523	9.9
131.04984	1.4
131.05983	0.7
131.07266	0.7
131.08601	1.5
132.04445	1.9
133.05249	1.9
133.10146	1.6
134.05994	0.8
134.99625	1.4
135.08000	0.9
135.11725	1.5
136.07588	11.1
143.99924	0.7
145.07613	1.0
145.10123	1.2
146.06007	100.0
148.03925	8.7
149.05934	1.8
149.09610	1.1
149.13260	1.2
150.05521	2.3
151.11211	1.4
152.07047	1.4
157.07635	7.1
157.10063	0.8
159.09209	1.3
159.11755	0.7
163.03947	1.1
163.08746	1.0
163.14873	0.8
164.07056	3.6
166.08638	28.6
173.07156	3.8
174.05516	13.1
177.00746	1.0
177.09117	0.8
177.12727	0.9
178.05016	1.1
179.11818	1.4
191.08189	13.6
191.11938	1.4
191.14253	0.9
192.06566	6.2
202.04955	3.2
203.08171	6.0
209.09283	0.9
219.05922	2.6
219.09927	0.8
219.13710	1.3
219.17384	0.9
219.21126	1.5
220.06041	4.9
220.19989	0.7
237.08902	11.7
237.12700	4.0
237.14688	0.9
237.16054	2.6
237.18420	1.6
237.22017	5.9
246.17796	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.1692
Annotation	[S-(E)]-2-(1-Hydroxy-4-methyl-3-cyclohexen-1-yl)-6-methyl-2,5-heptadien-4-one
Peak:m/z	Relative Intensity
55.05501	10.8
57.07082	16.0
59.05008	3.1
67.05484	10.4
69.03426	5.8
69.07075	13.9
70.72916	9.3
71.04978	3.5
79.05474	8.6
81.03442	2.9
81.07056	18.2
83.04968	2.6
83.08601	5.4
85.06519	4.7
91.05463	15.3
93.07041	17.6
95.04973	6.6
95.08618	22.9
97.06525	6.4
103.05392	2.6
105.07019	27.8
107.04893	3.0
107.08591	33.2
109.06512	9.6
109.10163	13.1
111.08062	4.1
117.07003	6.7
119.08580	85.6
119.79460	2.8
121.10113	12.7
123.08101	3.8
123.11692	3.9
125.09614	4.2
126.68755	2.8
128.06281	3.1
129.07011	3.8
131.08585	15.1
133.10129	48.3
135.08049	20.2
135.11665	8.0
137.09619	7.6
142.07776	5.4
143.08556	10.8
145.10144	14.9
147.08041	7.8
147.11717	18.3
149.09627	5.1
149.13200	2.8
151.11180	7.8
156.09386	3.3
157.10078	15.5
158.10818	3.4
159.11670	16.0
160.08809	4.1
161.09627	57.2
161.13260	3.7
169.10121	3.0
171.11673	8.3
173.13293	18.7
175.11235	13.9
175.14822	20.9
177.12642	4.6
179.10612	15.1
184.12427	5.6
187.11171	3.8
187.14734	7.3
189.12752	2.6
189.16341	20.2
193.15855	5.3
197.99564	2.6
199.14796	16.6
216.62175	3.1
217.15866	94.7
235.16916	100.0
256.08609	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0601
Annotation	HOHPDA
Peak:m/z	Relative Intensity
55.01862	1.4
55.05493	2.3
56.96548	3.6
57.07075	21.9
59.04985	1.7
67.05482	3.5
69.03400	1.8
69.07059	2.5
69.82888	1.6
69.83295	3.8
70.06600	0.9
71.04971	2.6
72.08134	2.3
79.05476	2.2
81.03417	1.2
81.07071	5.2
83.04986	2.3
83.08576	1.1
85.02883	2.3
87.04484	1.0
91.05483	4.5
93.07034	3.4
95.04955	1.5
95.08604	5.6
95.51082	0.7
97.02879	1.6
97.06526	1.9
97.10185	0.9
98.97584	1.8
103.05446	1.2
105.07030	8.1
107.04926	0.9
107.08601	4.3
109.02917	1.0
109.06496	1.6
109.10127	3.2
111.04471	1.4
113.05994	1.2
115.05451	29.9
116.98566	2.3
117.07008	1.8
119.04962	1.2
119.08575	5.7
120.08102	1.9
121.06506	1.0
121.10142	2.8
123.04424	2.0
123.08082	0.8
123.11687	1.5
131.00146	1.2
131.08531	1.1
131.97420	0.9
133.06467	4.9
133.10117	3.6
134.37735	0.8
135.08054	1.5
135.11707	1.2
136.07590	1.0
137.06021	1.3
137.09616	0.9
143.04918	46.8
143.08553	0.9
145.06441	2.5
145.10139	0.9
147.04411	23.1
147.08043	1.5
147.11644	2.5
149.01181	1.8
157.10101	1.4
159.11665	1.6
161.05978	73.3
161.09581	2.2
161.13252	1.4
163.07556	1.4
165.05478	3.8
171.04407	12.8
173.05971	1.5
175.03897	10.0
175.11171	1.2
175.14838	1.5
177.12735	0.9
179.10680	13.6
189.05461	100.0
189.12762	1.5
189.16377	1.3
191.17920	1.2
193.04886	1.8
199.03879	3.0
199.11353	0.9
199.14784	1.8
207.06503	3.2
217.04907	8.7
217.12408	1.3
217.15871	3.4
217.19514	3.5
218.11121	1.7
234.98856	1.4
235.05995	38.8
235.11096	1.3
235.13194	3.0
235.16914	60.3
235.20332	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	235.0284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.8
55.01859	2.6
55.05512	4.8
56.05037	0.9
56.73520	0.5
56.96565	48.0
57.03436	8.5
57.07074	9.8
58.03759	0.7
58.06588	0.6
58.95852	0.8
58.96130	9.6
59.05000	1.5
60.04515	1.1
60.95856	0.7
61.02640	1.0
61.02927	13.5
63.46162	0.6
67.01835	0.5
67.05479	1.9
69.03421	6.8
69.07059	1.6
70.06593	20.9
70.98114	2.0
71.01337	1.1
71.04986	3.2
71.59960	0.8
71.95250	1.9
72.08143	1.1
72.96027	1.1
73.02912	7.7
73.06551	2.0
74.06106	0.9
74.97598	2.5
75.04485	0.7
76.97166	1.6
77.00829	0.7
79.05495	1.4
81.03407	2.4
81.04525	1.9
81.07051	2.4
82.05324	8.0
83.00780	1.1
83.04975	1.8
83.06095	2.3
84.04493	0.9
84.08131	1.8
84.96025	1.3
85.02906	12.5
86.03228	0.7
86.09707	2.3
87.04476	1.6
88.08556	0.6
88.99146	1.4
89.00778	1.9
89.06014	1.6
91.00513	0.8
91.05473	1.5
93.04520	2.1
93.07024	1.8
93.77773	0.6
95.01313	1.3
95.04945	1.5
95.08594	2.3
97.02873	7.7
97.06541	1.1
98.01315	2.2
98.03127	0.6
98.06030	1.3
98.97580	12.8
99.04477	4.4
99.98730	2.7
100.99125	1.2
101.00829	1.2
103.02377	0.7
104.01263	0.7
105.02062	3.5
105.07007	1.9
106.01051	1.3
107.00211	1.0
107.04941	0.7
107.08589	1.4
109.00459	0.6
109.02873	1.8
109.10159	1.5
110.01271	2.1
110.07163	53.2
110.97557	3.3
111.02097	0.7
112.99116	3.5
113.02386	1.9
114.02582	2.2
115.00710	1.1
115.01569	0.7
115.02405	0.7
116.01263	0.9
116.98616	10.7
117.01900	1.7
117.99792	5.1
118.01015	2.0
118.02806	1.2
118.08611	1.8
119.00180	0.9
119.01845	5.8
119.08556	2.0
120.00746	1.1
121.01672	1.3
121.10174	1.7
123.04465	1.8
123.05546	0.9
124.95486	1.0
125.01772	1.3
125.03585	1.0
126.02599	0.8
127.01530	2.5
127.03928	5.4
128.02324	9.7
128.04251	0.6
128.52522	0.7
128.98610	5.9
131.00171	9.7
131.01830	1.4
132.00711	2.3
132.04366	1.0
133.01662	3.4
133.03452	1.2
133.06564	0.7
133.10101	1.1
134.99652	8.5
135.03114	0.9
136.00804	2.6
136.06184	5.0
136.07143	0.7
136.07597	0.8
137.02899	1.8
137.07111	0.8
138.06631	1.8
138.98915	1.0
139.53122	1.0
140.02272	1.0
140.98566	0.8
141.01285	4.2
141.03090	1.0
141.04863	1.9
142.96495	1.6
143.00110	1.1
143.01851	0.8
144.08086	1.2
145.01668	2.5
145.03397	3.8
145.04903	1.1
146.04086	1.0
146.99655	9.5
147.01352	0.7
147.03250	2.6
147.04393	1.0
147.08109	0.8
147.11652	1.2
148.02010	1.8
148.03851	4.2
148.54068	0.8
149.01222	13.5
149.02510	1.0
149.03777	1.0
149.53761	1.3
150.01811	6.2
150.99100	0.8
151.02748	2.5
152.52188	0.7
153.00769	1.6
154.01949	1.0
154.03850	12.8
154.07329	0.9
155.04695	5.2
156.07486	0.7
156.98067	1.3
157.02560	12.0
157.04448	2.5
157.10132	1.0
157.52789	1.6
158.99640	3.8
159.00984	1.1
159.03102	1.3
159.11609	0.9
159.54675	0.7
160.01929	0.7
160.97597	3.0
161.01198	3.9
161.02950	1.7
161.04700	1.0
161.09592	0.9
161.52687	0.7
162.10254	8.2
162.99184	1.4
163.02756	2.9
163.04414	5.1
165.00789	3.2
165.04321	0.6
165.54671	1.8
166.03072	1.3
166.06126	5.0
167.02284	2.8
168.01695	1.0
168.03625	10.9
168.05389	2.2
168.53485	2.0
170.05174	2.7
170.99680	1.0
171.03188	0.9
172.95322	1.6
172.97655	0.7
173.01193	1.5
173.02791	0.8
174.55200	0.9
174.99162	17.9
175.00659	1.0
175.02675	2.3
175.11285	0.7
177.00726	4.2
177.02228	1.3
177.04169	6.0
177.05841	1.2
178.98683	1.4
179.02296	1.0
179.10672	6.6
179.54375	0.7
183.02061	1.4
183.53320	1.2
184.01282	1.9
184.03078	1.4
184.04689	0.8
186.99081	1.4
187.02794	1.5
188.54944	1.5
188.56665	0.7
188.97066	8.6
189.00766	5.0
189.02408	1.3
189.04337	2.9
189.12933	0.7
190.98657	4.2
191.02155	2.9
191.03824	1.5
191.05785	1.0
193.00220	39.5
193.03857	2.9
196.01385	0.7
198.00819	1.4
198.51224	0.6
201.00546	1.1
203.02119	3.9
205.00290	1.3
205.01859	2.3
205.03693	1.3
206.98064	9.6
207.01721	2.3
207.05360	2.2
207.12386	4.3
208.99675	1.3
211.01236	4.7
211.04922	2.1
211.52335	2.2
211.98534	2.3
212.02382	1.9
212.04074	2.1
212.05931	0.9
214.02307	1.3
216.01794	2.6
217.00079	1.5
217.10751	2.0
217.19540	1.2
219.01671	4.1
220.99733	1.0
221.03293	0.9
223.01259	1.3
223.53381	0.8
224.99174	1.3
226.02321	1.6
226.05968	2.7
229.99678	1.8
230.03261	1.0
230.07021	1.1
232.99567	0.8
235.01170	2.6
235.04942	2.8
235.06735	3.1
235.11897	100.0
235.16878	32.2
235.20644	2.7
236.12415	1.0
237.02795	3.9
248.99144	0.9
253.05943	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1747
Annotation	SCHEMBL4748090
Peak:m/z	Relative Intensity
55.01870	2.1
55.05512	14.3
56.96558	3.2
57.03435	17.6
57.07075	25.9
59.04992	2.4
61.46173	0.9
67.05506	33.8
69.03429	3.9
69.07070	40.9
69.38747	10.5
70.06597	1.2
71.04997	10.7
79.05495	4.9
81.07060	18.2
83.04981	1.8
83.08620	11.1
84.31349	1.0
85.06545	5.1
89.06024	7.4
91.05452	6.4
92.09887	1.1
93.07038	9.8
95.04968	4.6
95.08604	8.6
97.06551	2.0
97.10169	14.9
98.21488	2.5
98.97581	1.2
105.07018	13.5
107.04936	3.6
107.08588	8.8
109.06512	2.3
109.10157	100.0
110.10495	1.8
111.04435	1.5
111.08124	1.4
115.11240	1.8
117.07015	5.5
118.44383	1.2
119.04976	1.7
119.08575	15.2
121.06512	4.2
121.10132	4.1
123.08086	2.4
123.11703	1.6
125.09659	1.4
127.11192	76.8
129.06990	2.7
130.07753	1.7
131.08569	10.4
133.02878	1.5
133.10132	7.6
134.10980	1.4
135.08043	3.0
135.11749	2.3
142.07803	1.9
143.08542	3.0
144.09262	1.0
145.06476	2.6
145.10086	12.5
145.12253	4.4
147.08055	1.9
147.11694	11.9
149.09633	1.6
149.13289	2.2
155.08551	1.4
157.10167	3.3
158.07356	1.4
159.08049	3.9
159.11719	11.8
161.09564	1.3
161.13300	1.1
163.07597	1.1
163.11235	1.1
169.10091	2.4
171.08067	1.4
171.11763	1.7
173.06064	1.4
173.08249	1.7
173.09608	7.6
173.13252	6.4
175.11205	2.3
175.14745	1.9
177.00706	1.5
177.09138	2.6
177.12773	1.5
187.07538	1.2
187.11197	7.4
187.14815	3.8
189.09012	1.6
191.03424	9.9
195.05528	2.4
197.15369	2.9
215.10698	6.3
215.14296	4.2
215.16423	4.7
215.18037	3.1
217.10794	2.2
220.93686	1.1
230.11282	1.4
233.04311	1.4
233.08072	6.3
233.11710	9.9
233.15379	17.5
233.19046	9.7
233.22337	2.9
234.07993	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.1
55.05520	14.0
56.96554	4.5
57.03431	4.1
57.07065	5.0
65.03970	2.0
67.05227	1.9
67.05510	23.5
69.03419	8.5
69.07071	15.8
69.55341	6.7
69.55772	7.7
71.04989	7.3
71.08593	2.0
73.05956	1.9
76.15344	1.7
77.03928	2.2
79.05073	2.6
79.05497	24.7
79.21860	1.8
81.03398	2.1
81.07059	46.8
83.04969	4.9
83.08597	8.4
83.81066	1.8
85.02906	2.1
85.06544	9.0
86.09693	2.6
91.05485	34.1
93.07052	42.2
93.84404	1.8
95.04979	15.5
95.08608	44.0
97.06543	11.0
97.10161	4.7
98.20811	3.9
98.97581	6.3
99.04446	7.0
99.08106	2.9
105.07036	42.7
107.04921	7.9
107.08598	21.7
109.06525	7.3
109.10172	12.1
111.04462	2.6
111.08056	4.8
116.98605	6.5
117.07043	12.5
119.04922	5.9
119.08588	73.1
121.06539	9.2
121.10138	20.5
123.08057	8.6
123.11697	5.6
129.07014	6.9
130.07808	3.8
131.08565	24.1
133.06522	4.1
133.10133	26.6
134.10927	15.5
134.99646	2.6
135.08052	7.7
135.11690	11.8
137.05968	3.4
137.09579	4.9
137.13246	5.5
141.06940	2.3
143.08559	8.1
144.05678	2.0
145.06514	6.5
145.09045	2.5
145.10132	32.4
147.08086	3.7
147.11703	10.2
149.09569	6.6
149.13239	3.6
157.10126	6.3
158.07256	2.3
159.08049	8.3
159.11714	28.3
161.09605	5.7
161.13289	25.7
163.11179	16.3
167.12546	1.8
169.10153	4.7
171.11725	4.7
173.08232	2.9
173.09630	22.0
173.13283	16.3
175.11153	5.5
175.14870	3.1
177.00748	5.4
177.09164	4.0
179.14348	13.4
185.09605	2.2
187.11282	13.7
187.14833	16.7
189.12790	5.7
189.16292	2.4
191.03403	7.9
191.10565	2.2
197.13284	8.2
197.15387	11.7
205.12210	4.9
215.10811	10.7
215.14328	19.2
215.17960	10.1
217.10794	4.8
233.08148	8.5
233.11969	11.3
233.15370	100.0
233.18848	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	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
51.27400	0.5
53.03933	1.9
55.05510	2.8
55.21595	0.5
56.96555	1.5
57.03420	0.7
57.07049	0.7
67.05504	2.3
69.03415	2.5
69.07066	1.2
70.04343	3.0
71.05006	1.0
75.31949	0.5
76.01753	0.5
77.03928	0.7
79.05492	34.9
81.07069	3.0
83.04970	1.7
83.08630	4.2
91.05481	2.7
93.07029	4.8
95.04977	3.6
95.08607	2.1
97.06504	1.5
101.90360	0.6
103.82289	0.6
105.07023	6.5
107.04955	39.6
107.08597	8.4
109.06524	1.4
109.10152	0.8
111.08081	3.5
117.07030	1.2
119.08595	5.1
121.06489	1.8
121.10143	5.1
123.08032	1.5
123.11701	0.8
125.09632	1.9
129.07007	1.0
131.08607	4.1
133.10150	4.2
135.08058	2.0
135.11665	0.8
137.05965	0.7
137.09657	0.6
145.06544	0.6
145.10147	2.6
147.08115	1.3
147.11700	6.5
149.09622	5.5
149.13264	1.8
150.10347	0.7
155.08488	0.7
157.10107	2.6
158.10948	1.3
159.08060	0.8
159.11700	2.3
160.08849	1.2
161.09572	0.6
169.10193	0.7
171.11649	0.7
173.09543	0.9
173.13277	4.3
175.11177	7.1
182.10814	0.6
187.11116	1.0
187.14862	1.0
189.12842	0.7
191.14313	50.4
197.13242	1.2
206.93182	0.6
215.10748	0.9
215.14354	2.1
215.17888	0.5
229.07503	1.0
233.04565	0.9
233.15369	100.0
234.15738	1.1
240.30789	0.6
247.08517	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	233.1536
Annotation	CHEBI:69963
Peak:m/z	Relative Intensity
53.03946	1.3
55.01865	1.0
55.05518	3.8
56.96579	0.6
57.07076	2.6
58.61653	0.6
59.04982	0.6
60.01989	0.6
65.03934	0.8
67.05500	6.7
69.03429	14.4
69.07076	3.3
69.42004	5.7
71.04982	2.0
79.05489	14.7
81.03420	0.8
81.07059	11.3
83.04978	2.6
83.08617	2.3
85.06548	2.4
91.04898	0.7
91.05480	15.0
93.06472	1.0
93.07047	12.7
95.04970	31.3
95.08606	5.5
97.06545	3.5
103.05444	0.7
105.07030	16.1
107.04959	9.7
107.08599	15.2
109.02900	1.8
109.06520	7.9
109.07967	0.6
109.10169	6.1
111.04434	1.6
111.08073	1.8
112.11265	0.6
115.05430	1.2
116.06251	1.4
117.07022	7.0
119.08582	100.0
121.06499	6.7
121.09313	1.1
121.10155	16.0
123.06645	0.5
123.08096	3.4
123.11692	6.2
125.09685	1.2
128.06223	1.7
129.07013	2.1
130.07829	1.1
131.07587	0.9
131.08572	16.4
133.06490	8.0
133.10129	9.7
135.08023	3.4
135.11705	1.6
137.06001	1.7
137.09656	1.6
141.06993	1.3
142.07787	2.1
143.08551	3.4
144.09370	0.9
145.06496	2.1
145.10126	13.4
147.08034	2.9
147.11702	4.6
149.09610	10.9
149.13274	0.8
151.07550	1.1
151.11194	2.7
153.07057	0.7
155.08592	3.4
156.09370	3.5
157.10139	7.3
158.10823	1.1
159.08032	5.7
159.11668	6.4
161.09625	0.9
161.13222	1.9
163.07532	0.8
167.08600	3.5
168.09464	0.6
169.10159	4.1
171.11693	6.5
172.08791	0.7
172.12462	1.5
173.09654	6.5
173.13266	9.3
174.10329	0.7
175.11150	3.8
177.09087	2.9
182.10889	6.6
185.09555	0.9
187.11229	2.4
187.14824	10.0
189.12770	8.7
191.03314	0.8
191.14314	11.5
197.13261	10.7
200.11955	1.2
205.15852	1.2
215.10751	1.5
215.14334	18.6
215.17729	1.3
233.11998	3.0
233.15361	63.0
233.19125	3.4
233.23042	1.6
235.07462	0.6
249.22357	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1535
Annotation	Hypacrone
Peak:m/z	Relative Intensity
52.43343	0.7
53.03935	1.4
55.05507	4.5
56.96556	3.6
57.07065	2.5
67.05509	5.2
69.03413	3.1
69.07054	3.0
70.86226	1.6
70.86583	1.4
71.04987	1.7
79.05493	25.7
81.07057	4.7
83.04972	3.1
83.08610	3.0
85.06528	2.4
91.05471	6.9
92.16273	0.7
93.07057	7.9
95.04971	6.0
95.08616	4.1
97.06514	2.3
103.05455	0.9
105.07037	10.4
107.04954	33.4
107.08585	9.4
109.06506	3.0
109.10141	1.2
111.04431	1.2
111.08080	3.0
113.06001	1.1
115.05571	0.9
117.06994	3.9
118.97860	0.8
119.08578	13.9
119.09364	1.2
121.06507	2.3
121.10143	5.6
123.08041	2.2
123.11715	1.0
125.09628	1.9
129.06995	1.7
131.08568	11.7
133.06502	1.4
133.10133	8.4
135.08069	3.6
135.11696	0.9
137.09590	3.0
138.05479	0.7
142.07759	1.5
143.08571	1.6
144.09277	1.1
145.06509	1.1
145.10127	11.4
146.10899	0.9
147.08054	9.7
147.11694	12.0
149.01164	1.0
149.09631	6.7
149.13237	2.3
153.09171	1.0
156.09306	1.3
157.10124	5.9
158.10887	1.6
159.08037	2.6
159.11722	4.3
159.12834	0.9
161.09572	1.3
161.13286	0.9
163.07530	1.2
163.11172	2.8
169.10023	0.8
171.11717	3.1
172.12567	0.8
173.09625	2.2
173.13245	8.3
175.11185	18.4
177.09122	1.7
182.10905	1.7
187.11188	2.2
187.14781	4.0
189.12758	6.7
191.14313	39.8
197.13335	1.3
205.15732	0.8
213.09523	1.1
215.14276	6.9
217.15878	1.3
233.15369	100.0
233.18727	6.6
234.15726	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	233.1495
Annotation	H-Thr-Leu-OH
Peak:m/z	Relative Intensity
55.05483	0.3
56.05034	14.0
57.03434	2.2
58.06594	3.0
71.10159	0.8
74.06078	100.0
75.04474	0.6
83.04961	0.4
84.04495	3.0
85.02903	1.3
86.03247	0.7
86.09703	20.2
98.97608	0.4
101.07130	2.1
105.07026	0.6
113.49448	0.3
117.07012	0.4
126.09224	0.3
131.08578	0.5
132.10204	17.5
142.12285	0.5
143.11787	0.6
169.13348	1.5
173.09587	0.4
187.14418	10.0
202.50439	0.4
215.13925	5.3
233.11543	0.7
233.14978	14.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08927	0.4
55.01871	1.5
55.05498	1.5
56.05029	1.6
56.96566	20.6
57.03433	3.3
58.06627	0.3
59.05000	0.5
60.04518	0.5
60.95848	0.4
61.02927	7.5
61.03237	0.3
67.05479	0.4
69.03429	3.2
69.07077	2.2
70.06580	1.1
70.98120	1.3
71.01360	0.4
71.04993	1.4
71.57275	0.4
71.57629	0.3
71.95248	0.6
72.04517	0.4
72.08150	1.5
73.02921	3.3
74.06082	4.9
74.97598	0.6
75.04480	0.9
77.15054	0.3
81.03416	0.9
81.07055	0.4
83.04993	1.1
83.47531	0.3
84.04492	1.1
84.08121	1.6
84.96008	1.7
85.02908	6.1
85.03381	0.7
86.03288	0.4
86.09706	100.0
86.38754	0.3
87.04473	0.6
87.10022	0.5
88.03990	0.6
88.99153	0.5
91.02472	0.3
91.05470	0.7
93.07069	0.5
95.01345	0.7
97.02877	2.9
97.34739	0.4
98.06059	0.4
98.97590	10.3
99.04476	2.1
100.99153	1.5
101.00900	1.0
101.02405	0.5
101.54190	0.3
102.05531	1.7
103.02412	0.5
104.01305	0.5
106.01025	0.6
106.78172	0.3
109.02890	0.7
110.01300	0.9
110.07141	0.4
110.97600	1.6
112.01011	0.4
112.07592	0.5
112.99149	0.4
113.02390	1.0
115.00679	0.5
115.02440	1.0
115.03208	0.4
116.07149	0.3
116.98628	9.0
117.01935	0.5
117.03980	0.5
118.01036	0.8
118.08659	0.4
119.00180	1.2
119.01903	6.2
119.03613	0.4
120.01965	0.4
120.06576	5.1
121.01628	1.0
121.10210	0.4
126.00755	0.4
126.05535	0.4
126.97021	0.4
127.01541	0.6
127.03923	4.8
128.02327	1.5
128.98607	3.6
130.05037	0.9
130.08617	0.4
131.00175	1.5
131.01909	1.1
131.08534	0.5
131.99774	0.6
132.10255	0.5
133.01671	0.6
133.03485	3.9
134.99664	5.8
135.05040	1.0
137.02945	1.2
140.00169	0.4
140.04980	2.2
142.96568	0.5
143.00188	0.9
143.01900	1.1
144.98085	0.9
144.99837	0.5
145.01698	1.3
145.03482	0.9
145.04994	1.0
146.02303	0.7
146.05003	1.1
146.99640	4.3
147.01352	0.5
147.03255	0.5
148.03903	0.8
149.01233	1.5
149.03865	1.8
150.00720	0.6
151.02716	0.3
151.04544	1.2
152.01337	0.5
153.00815	0.7
153.05830	1.0
154.03882	0.5
155.03712	0.6
157.02591	1.1
157.04469	1.1
158.01337	0.5
158.99655	2.1
159.01364	0.3
159.05060	0.5
159.11763	0.4
160.02966	0.4
160.97620	0.4
161.01210	2.4
161.02914	2.7
162.99174	1.6
163.02788	2.2
163.04518	0.7
165.00749	3.2
166.53453	0.4
168.01765	0.5
169.04413	1.4
170.05225	1.3
170.99776	0.6
171.01367	0.5
172.97635	1.1
173.01335	0.7
173.02980	1.5
174.99174	0.9
175.00819	0.8
177.00745	2.8
177.02448	1.0
177.04131	0.7
181.03632	1.1
183.01854	1.4
185.02995	0.7
186.96811	0.5
186.99097	1.0
187.00542	1.5
187.14517	0.7
189.00755	2.9
189.02425	0.6
190.98640	5.2
191.02289	1.5
191.04025	3.3
193.00261	0.8
193.01982	0.5
201.00758	0.9
201.02470	0.7
201.06180	0.4
203.04056	1.0
204.98257	0.6
205.00085	0.9
205.01764	1.0
205.05675	0.4
205.10944	0.4
206.98170	0.5
207.01805	3.4
207.03593	0.6
208.96695	0.5
208.99719	4.9
209.03331	1.1
213.03365	1.2
215.00531	0.4
215.03839	0.4
215.13956	3.7
217.02090	0.5
219.01770	1.1
219.03642	0.8
220.99684	0.6
221.05150	0.9
222.03912	0.7
223.01254	0.4
225.02840	0.5
227.00667	0.6
228.07413	0.4
229.01907	0.5
232.01247	0.7
232.96658	1.0
232.99652	0.9
233.05185	2.0
233.10254	0.7
233.14998	5.9
233.18741	0.7
235.01286	0.4
237.02925	1.5
247.03166	0.8
250.97676	0.5
251.00598	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0335
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39983	1.1
50.80715	1.0
55.05502	4.6
56.05039	1.1
56.96566	100.0
57.03440	10.0
61.02922	3.9
67.05505	2.5
69.03429	5.2
69.07066	3.4
70.06596	2.2
70.23296	2.7
70.23684	2.3
70.98118	2.1
71.04996	4.5
71.95280	1.4
72.08161	7.8
72.93785	1.2
73.02918	12.8
73.06557	1.8
74.06084	4.6
74.97615	3.2
75.04482	25.7
76.04822	1.1
79.05481	2.0
81.03421	2.8
81.07038	1.6
81.47807	1.2
83.04994	3.6
84.04520	4.7
84.08145	2.5
84.96035	5.4
85.02913	17.1
86.03233	2.6
86.06043	1.3
86.09710	15.4
87.04452	2.7
88.03993	2.3
88.99142	1.6
91.05476	2.4
93.02104	2.4
93.07048	1.9
95.04982	2.7
95.08624	1.5
97.02890	5.3
98.06062	1.8
98.97585	67.1
99.04462	1.3
100.99146	15.9
100.99753	1.5
102.97060	1.6
103.02361	1.8
104.10723	7.3
105.07030	2.6
107.08630	2.3
109.06519	1.0
110.97599	2.1
111.04450	2.8
112.02898	1.5
112.99176	2.1
113.06013	1.3
114.93198	1.1
116.10770	1.2
116.98623	79.4
117.02061	1.4
117.07028	1.9
118.08647	2.0
119.00191	15.9
119.01904	2.7
119.04899	1.4
119.08582	1.7
120.06725	1.1
121.06524	1.1
126.02535	1.2
127.00716	2.6
127.03944	2.3
128.98621	7.5
130.05008	2.6
131.00156	6.7
131.08586	2.1
133.01674	1.4
134.99660	82.4
135.08093	1.8
137.01256	4.0
137.02898	1.4
137.05908	1.2
139.03401	5.8
140.00131	2.5
143.00198	4.9
144.98088	2.1
145.01707	20.8
145.10126	1.6
146.99661	8.9
147.03279	2.8
148.02881	1.4
148.03868	6.3
149.01222	26.7
150.96913	3.2
153.00722	18.3
155.04678	4.7
157.04448	1.2
157.10324	1.4
158.01259	4.8
158.99669	2.8
159.08070	1.2
159.11700	3.1
159.54729	2.4
161.01228	30.2
161.02583	2.4
161.04749	2.4
162.99153	5.0
163.02792	61.4
164.05177	3.2
165.00700	17.7
165.04359	2.2
166.03801	2.0
167.02304	13.1
167.97328	1.4
169.04445	1.4
172.95294	2.0
174.99286	1.5
175.02765	1.2
175.04362	4.4
177.00755	4.7
179.02290	8.2
181.00157	2.3
181.03827	12.5
183.01759	18.9
184.04985	2.3
186.04349	2.7
186.96834	5.7
186.99139	3.3
187.02744	2.4
187.11070	2.7
189.00710	25.2
189.02365	2.3
189.04269	1.6
190.98645	7.3
191.02184	11.1
191.05968	1.4
193.00237	3.2
195.01753	1.6
203.02248	11.3
204.02786	1.7
204.97890	4.4
205.00423	1.3
205.03838	4.9
207.01775	89.7
208.99738	10.6
209.03322	8.5
212.06190	2.5
214.03877	1.6
215.14172	2.9
216.12411	1.3
217.03900	3.2
219.01697	1.8
221.03389	2.7
221.06752	9.4
221.56981	1.3
225.02838	12.0
227.00862	2.2
227.04286	3.0
230.03334	10.7
230.07275	1.6
233.03299	4.2
233.05095	3.1
233.06932	2.7
233.11765	1.4
233.15312	10.6
233.18961	2.0
237.02878	1.3
251.04391	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	232.1544
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
55.23495	0.3
56.96561	0.7
57.03439	1.8
60.08165	7.0
60.08469	0.4
70.06552	0.3
70.21212	1.1
71.04992	1.5
72.08152	1.9
73.08473	0.9
81.07056	0.6
84.08138	0.6
85.02905	100.0
86.09717	0.3
87.10040	0.5
89.05962	0.3
91.53352	0.3
97.02896	0.4
98.20800	0.3
105.07038	0.4
123.88852	0.3
128.98634	0.3
134.62088	0.2
144.10220	2.1
154.75507	0.3
168.21025	0.3
173.08096	10.7
174.12839	0.3
177.00696	0.3
186.13560	0.9
232.15450	32.1
239.79015	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	231.1703
Annotation	H-Val-Leu-OH
Peak:m/z	Relative Intensity
53.03940	0.5
55.05510	11.0
56.05034	0.4
56.96564	2.3
57.03427	0.8
57.05810	1.0
57.07072	0.2
58.64112	0.2
59.06117	0.2
61.02916	0.2
65.03941	0.2
67.05507	0.6
69.03422	2.6
69.07061	0.3
69.98553	0.4
69.98952	0.8
70.06569	0.2
70.73045	0.2
71.04990	0.7
72.08153	100.0
73.02904	1.7
73.08485	0.2
79.05483	1.3
80.05032	0.2
81.03421	1.4
81.07056	2.3
83.05000	0.3
85.02898	2.2
86.09702	5.7
87.00842	0.4
87.05582	0.5
87.68742	0.2
91.05474	2.2
93.07037	1.6
95.04963	0.5
95.08611	1.0
97.02885	1.6
98.97591	0.8
99.04456	0.9
103.05455	0.6
105.07027	3.4
107.04962	0.6
107.08597	1.0
109.02882	0.8
109.06521	0.3
109.10157	0.4
110.97578	0.5
115.05492	0.3
116.98614	1.0
117.07018	1.6
119.04967	0.2
119.08574	1.6
121.00462	0.2
121.02875	0.2
121.06523	0.3
121.10163	0.5
123.04476	0.3
127.03922	0.8
128.02321	0.2
128.06223	1.2
128.75743	0.2
128.98643	0.8
129.07022	2.3
130.07787	0.4
131.08553	3.6
132.09309	0.3
132.10204	4.1
133.06485	0.4
133.10155	0.9
134.99687	0.5
137.06018	0.6
141.07018	0.5
142.07742	1.1
143.08559	4.3
144.09369	0.3
145.06541	0.2
145.10112	3.6
146.10922	0.3
146.99696	1.0
147.04439	0.4
147.08086	0.5
151.07590	0.4
155.08589	0.8
156.09338	0.5
157.06526	0.5
157.10133	3.1
159.08075	0.5
159.11674	1.5
161.01299	0.3
161.05977	0.6
161.09657	0.7
161.13414	0.2
165.07047	0.5
170.10956	0.7
171.08087	1.0
171.11697	1.2
173.09641	1.2
173.13342	0.3
175.07535	2.2
175.11201	0.2
177.00580	0.3
177.01939	0.4
178.02422	0.5
179.03409	1.9
180.03851	0.3
180.09399	0.2
185.09726	0.6
185.13261	7.4
185.14877	0.4
185.16435	1.4
187.14870	0.3
189.09042	1.1
189.12805	1.1
190.01997	0.3
195.11658	0.5
197.01291	0.3
198.10535	0.3
199.02618	1.6
200.10829	0.4
203.03496	0.3
203.10625	1.5
203.14243	1.5
208.03108	4.6
208.53426	0.5
210.53459	0.7
213.12685	2.1
213.15936	0.3
219.53986	0.7
231.04861	0.4
231.13901	8.7
231.17166	5.1
231.20901	0.3
250.98720	0.4
251.99446	0.5
253.00320	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.1017
Annotation	Naproxen
Peak:m/z	Relative Intensity
51.34280	0.6
53.03941	3.8
55.01870	7.6
55.05511	3.5
56.96561	1.6
65.03931	2.2
67.05505	4.9
68.99773	1.6
69.03082	0.9
69.03432	15.4
69.07057	2.6
71.04988	2.9
71.05319	0.5
71.59500	0.7
72.08141	1.2
73.02892	0.6
79.05061	1.1
79.05495	17.8
81.03428	5.2
81.07060	13.0
82.39539	0.5
83.04986	1.2
83.08600	1.3
85.02910	4.8
85.06539	1.2
87.00827	1.3
91.05486	16.5
93.07047	9.4
95.04971	8.8
95.08615	5.7
97.02905	5.9
97.06519	2.7
99.04446	5.5
103.05457	2.0
105.07034	23.9
107.04961	6.9
107.08604	4.6
109.02893	3.4
109.06497	3.0
109.10157	2.3
111.04478	1.6
111.08077	0.7
111.25977	0.7
115.05442	5.8
116.06225	1.9
116.98668	0.7
117.07023	10.9
119.04945	14.2
119.08585	10.5
121.02845	1.1
121.06503	8.9
121.10150	3.3
123.04445	1.4
123.08062	1.2
123.11697	0.9
125.06032	1.2
127.03915	2.8
128.06210	13.3
129.07016	24.6
130.07819	3.1
131.04921	3.0
131.07582	0.9
131.08569	18.6
132.05713	2.4
133.02798	0.5
133.06505	8.9
133.09378	0.6
133.10141	6.8
134.07249	2.1
135.04404	2.0
135.08063	1.7
135.11700	1.2
137.05960	2.4
141.06999	12.6
142.07787	48.4
143.08569	24.6
144.05704	3.0
144.09343	4.0
145.06497	12.2
145.10126	15.2
146.07233	3.2
146.10866	1.0
147.04399	0.8
147.08064	3.5
147.11705	2.8
149.06041	3.0
149.09633	0.9
151.07524	2.3
152.06213	5.6
153.07042	3.0
154.07764	7.2
155.04950	1.4
155.08543	4.0
156.09386	4.9
157.06511	7.3
157.10133	48.2
158.07298	6.7
159.08054	14.2
159.11702	13.9
161.05954	3.3
161.09662	6.4
161.13292	1.7
165.06972	4.7
167.08557	10.6
169.06427	2.9
169.10139	7.3
170.07278	15.4
170.10953	2.6
171.04422	0.7
171.05760	0.6
171.08064	13.6
171.11694	4.9
172.08830	5.2
173.06000	1.0
173.09587	4.3
173.13248	1.4
175.07584	6.0
175.11179	4.8
175.14816	0.9
180.09274	1.3
183.07994	1.4
183.11687	0.9
185.09628	100.0
185.13214	24.0
186.10191	2.0
187.07643	0.8
187.11180	20.0
187.14729	3.1
188.08311	0.8
189.05481	1.4
189.09125	6.3
189.12767	2.4
195.08096	6.3
195.11667	2.3
197.05988	1.0
198.06775	8.0
198.10452	0.9
203.07214	1.0
203.10655	10.7
203.14275	3.7
213.09111	72.4
213.12714	6.2
213.16283	2.7
214.09500	1.1
231.06519	2.7
231.10182	47.1
231.13831	27.8
231.17339	9.0
231.21114	2.1
249.11166	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0701
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47779	0.5
51.51413	0.5
55.01867	1.1
55.05502	0.9
56.05047	0.6
56.96566	60.1
57.03419	1.6
57.65931	0.6
58.03754	0.7
58.06587	2.4
58.96129	1.6
60.08155	1.9
60.95838	0.8
61.02925	2.0
61.08489	1.1
61.29073	0.5
68.05013	0.6
69.03421	1.9
69.07064	1.1
69.97765	2.5
70.06244	0.9
70.06595	11.8
70.98122	2.0
71.04976	1.3
71.06928	3.8
71.95271	4.2
72.08140	2.0
72.96076	2.7
73.02907	2.0
74.58637	0.6
74.97608	2.4
81.03415	0.9
83.97659	1.2
84.04491	1.1
84.08127	3.0
84.96032	2.3
85.02913	2.8
85.07615	0.5
85.80698	0.5
86.06049	0.9
86.09711	6.2
88.99163	1.0
96.08163	0.9
97.02894	1.6
97.99180	1.4
98.21364	0.6
98.97585	80.5
99.04437	1.0
99.97936	0.7
100.07613	0.9
101.00888	1.0
102.02243	0.6
102.96900	0.6
114.05519	0.8
116.00230	1.8
116.07081	0.9
116.98622	100.0
117.98995	0.9
119.01935	4.0
120.01968	3.4
121.01662	1.2
125.07968	0.7
126.02318	1.2
126.09112	0.6
127.03916	1.5
128.02293	0.6
128.03358	1.0
128.52493	0.6
128.98605	2.0
129.02037	0.6
129.10278	1.3
130.93198	0.7
131.00208	0.8
131.01888	0.5
133.01765	1.0
134.01294	4.0
134.99660	88.8
137.02910	1.0
138.03026	1.4
140.00208	2.8
140.03815	1.4
142.01788	1.2
142.05376	0.9
142.07927	0.5
142.08685	4.6
142.96519	1.6
143.09016	6.1
144.03339	1.7
145.03415	0.8
146.99632	3.8
147.03331	0.7
148.03906	1.0
149.01292	0.7
152.02303	1.4
153.00716	16.7
157.54547	0.7
158.01285	5.2
158.02554	0.8
158.04898	6.3
158.99605	0.9
159.11356	1.3
160.02870	0.8
160.06459	7.6
160.97595	2.1
161.01297	0.8
161.02953	0.6
162.99164	1.2
163.02834	0.7
165.00732	1.9
169.52821	0.9
170.04887	2.0
170.11719	0.6
171.03326	1.3
174.99178	0.9
176.02391	0.7
176.05923	2.8
177.00636	2.5
178.07506	3.7
183.01723	0.6
184.97577	0.7
187.04897	0.6
188.00923	1.1
188.05948	5.6
188.97069	2.8
189.00708	1.7
189.02559	0.8
189.04343	13.2
190.98572	0.6
193.00221	1.9
198.00803	1.3
202.07553	0.9
202.98625	1.0
206.07011	7.8
206.98180	2.9
207.01807	2.6
207.05424	11.7
211.98595	0.9
212.05940	1.5
216.00366	1.5
219.01828	0.8
220.56252	1.0
223.01263	0.8
224.08061	16.1
224.99081	1.3
225.08516	0.9
229.56836	0.6
230.03429	1.0
230.06993	12.8
230.15831	34.5
230.18307	1.2
231.05368	2.6
248.08069	33.9
248.99197	2.1
249.06575	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1548
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
50.63831	0.6
55.01871	1.4
55.05501	2.1
55.91383	0.6
56.05043	0.9
56.96295	1.1
56.96567	14.2
57.03429	2.7
57.07051	0.6
58.06601	4.9
58.44113	0.6
59.07373	0.9
59.68322	0.6
60.04527	1.2
60.08165	6.3
61.02912	2.9
67.05492	1.8
68.05025	0.7
69.03431	3.1
69.07063	0.7
70.06596	29.0
70.98116	0.8
71.04976	1.0
71.12183	0.7
71.12502	1.3
72.08148	2.9
73.02918	3.0
74.97601	1.0
79.05479	1.0
81.03410	2.3
81.07057	1.4
82.06552	0.7
83.04978	1.1
83.06126	1.1
84.04507	0.7
84.08140	4.0
84.96027	1.0
85.02899	4.8
85.06538	0.8
86.09711	2.7
87.04469	0.8
87.72825	0.7
91.05475	4.2
95.04970	0.9
97.02868	4.3
97.07617	0.7
98.06044	1.6
98.97586	12.7
99.00822	1.3
99.04484	0.8
105.06999	1.0
107.04955	0.9
109.02879	1.2
109.10150	0.8
110.97585	0.8
111.04459	0.8
114.05538	3.3
114.09167	1.5
116.00148	0.6
116.07108	3.1
116.98619	12.0
117.01843	1.0
119.01848	2.9
119.04922	3.7
119.08534	0.7
123.04442	0.8
124.07607	3.3
125.93153	0.6
126.14850	0.5
127.03903	0.8
128.02347	0.8
128.98615	2.4
129.10233	0.9
131.99731	0.9
133.10081	0.6
134.01265	1.2
134.99654	8.4
137.05984	5.3
138.06320	0.8
140.10925	0.7
142.08643	24.0
144.03453	1.0
145.96695	0.7
146.99663	4.0
147.03348	0.9
147.04419	6.6
148.02039	1.5
149.01195	1.2
150.00754	1.2
152.07065	0.9
153.00682	1.6
155.04584	0.7
155.08406	0.7
158.01244	0.9
158.99641	3.0
160.02847	0.7
161.01289	1.6
163.02730	0.8
165.00725	2.9
165.05534	1.0
167.06975	0.8
168.01796	1.8
170.08159	2.6
170.99629	0.7
172.95236	0.8
175.02541	1.0
175.04697	0.6
176.02347	0.9
177.00739	6.3
177.02216	1.3
179.07043	1.3
183.02245	0.8
183.11671	1.2
183.14891	1.1
184.03107	3.2
184.53285	0.9
186.96751	0.8
186.99080	0.8
189.00719	0.9
190.96423	0.9
190.98593	1.6
193.03497	0.8
195.01691	0.9
199.03990	0.6
200.02350	0.9
201.00780	0.7
201.12602	0.6
204.97888	1.2
205.00179	1.4
205.98781	2.5
207.01843	1.1
208.04971	2.5
217.05490	6.2
217.55643	1.9
219.01823	1.3
219.55630	0.9
223.01144	1.3
226.05879	0.9
228.56161	1.7
229.00208	1.0
229.04898	1.6
229.15489	100.0
230.15659	0.8
237.02786	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	229.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93007	0.4
55.01854	1.0
56.96569	4.5
57.03439	2.4
57.12539	0.4
58.06601	5.0
58.99817	0.6
59.07381	1.0
60.07878	0.6
60.08161	6.7
61.02926	6.8
62.03250	0.5
66.44447	0.4
67.05516	0.9
68.05025	1.0
69.03425	1.4
70.06593	31.7
71.04959	0.6
71.59495	0.4
72.08163	0.8
73.02908	1.1
77.98168	0.4
81.07073	0.6
83.73145	0.4
84.04508	0.5
84.96008	0.4
85.02905	2.5
85.20509	0.4
86.09715	0.5
95.52393	0.4
96.08137	1.4
97.02876	1.3
98.01339	0.4
98.06028	0.8
98.97576	1.9
99.00838	0.7
101.00887	1.6
109.10172	0.6
112.51244	0.4
113.02358	1.5
114.05516	3.8
114.09149	1.9
115.01588	0.4
116.07066	1.7
116.98615	1.7
117.01898	0.4
119.01915	16.0
120.01998	1.0
124.07603	3.6
125.01823	0.4
125.48101	0.4
126.09141	1.1
126.48662	0.4
127.03945	0.7
128.02380	0.4
128.03409	0.6
128.98663	0.8
131.01865	0.7
133.03462	1.6
134.99675	1.1
135.01236	0.6
135.03117	1.1
135.71507	0.4
137.02972	5.3
140.00455	0.6
141.01280	0.6
142.03546	0.5
142.08636	28.5
142.96591	0.4
144.03598	0.8
144.99823	1.5
145.01630	0.5
145.86699	0.4
146.00079	0.4
146.99619	0.8
148.04741	0.5
149.02881	0.5
150.01804	1.2
151.04552	0.5
156.03661	0.5
157.10078	0.5
160.97539	0.7
161.01176	0.6
161.02943	1.3
162.99081	0.5
165.00711	0.7
168.99840	1.6
170.08191	1.0
172.99353	0.7
174.99217	0.5
177.00723	0.4
177.02295	0.5
183.11635	1.0
184.03101	0.5
186.99236	0.8
187.00842	3.9
188.01024	0.6
188.97112	0.6
192.00661	0.7
193.00226	1.1
196.99246	0.5
197.01030	0.7
204.02696	0.5
205.00284	0.5
205.01978	0.9
206.98201	0.7
207.01654	0.9
210.02477	0.5
215.00388	3.6
219.01736	0.6
220.99690	0.5
229.03236	0.7
229.15477	100.0
230.15704	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	229.1434
Annotation	9-Peroxy-5,6E-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
55.05508	7.5
57.03435	19.8
57.07057	2.5
59.04974	5.7
67.05504	100.0
69.07043	3.6
71.04955	4.5
71.59982	1.6
71.60373	1.4
79.05450	1.4
81.07066	16.8
83.08630	6.3
85.06514	2.8
86.76396	1.1
91.05499	5.9
93.07007	4.0
95.08614	6.8
97.07174	1.2
105.19147	1.3
107.08581	2.3
109.10154	89.2
110.10459	1.4
111.08044	3.4
119.08556	7.9
128.70230	1.2
137.09605	6.4
139.31087	1.1
155.10596	4.7
171.11566	1.5
173.11736	33.6
229.04840	1.3
229.12079	2.8
229.14264	42.8
229.19389	3.1
229.23611	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	229.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00739	0.5
55.05499	2.6
56.96577	0.8
57.03426	2.3
57.07070	0.7
59.00131	0.4
59.04991	0.9
65.82381	0.5
67.05503	17.8
69.03400	0.6
69.07062	8.2
69.20964	0.5
70.06558	0.7
71.04987	2.7
71.61103	1.1
75.04477	0.7
79.05487	1.3
81.03419	0.6
81.07051	5.8
83.04980	1.2
83.08622	1.1
85.02866	0.6
85.06546	0.9
89.70838	0.5
91.05473	3.1
93.07037	3.3
95.04962	7.1
95.08609	5.8
98.06009	0.6
99.00810	0.9
105.07018	3.4
107.08595	1.9
109.06509	1.1
109.10155	100.0
110.10490	0.8
111.08142	0.7
119.08575	5.9
121.06515	2.1
121.10170	1.2
123.11699	10.5
127.11191	32.1
128.06227	1.0
129.06987	0.5
131.08574	1.4
133.10129	6.5
135.11682	0.7
137.09605	8.1
139.07574	1.0
141.07002	0.7
142.04984	0.6
143.08563	2.5
145.10187	2.1
149.09616	0.7
151.11124	2.5
155.08543	1.6
155.10672	2.9
157.10133	1.7
159.08191	0.7
159.11720	1.5
161.09601	5.6
169.10097	0.6
169.12299	1.1
171.11659	0.9
173.09593	1.0
173.10109	0.9
173.11755	15.3
173.13173	1.1
175.11153	0.7
179.10670	14.1
179.12187	0.9
183.11769	0.9
183.13873	1.2
187.07574	0.6
187.11201	1.0
193.12170	0.9
197.11736	12.1
201.12660	0.8
201.16388	0.7
211.11433	0.7
211.13345	2.2
229.08665	1.7
229.12231	2.1
229.14362	4.4
229.15939	3.0
229.17902	1.1
229.19638	2.2
229.23569	1.0
230.19106	1.3
245.03546	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1436
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
55.01866	5.7
55.05511	16.2
56.96561	8.8
57.03432	15.1
57.07066	6.2
59.04990	5.7
65.03952	3.3
67.05504	74.5
69.07072	17.4
71.05006	7.4
71.61011	4.1
79.05507	14.1
81.03378	3.4
81.07059	52.2
83.04974	4.2
83.08625	10.0
85.02906	6.6
85.06539	3.8
86.06049	3.5
91.05480	27.8
93.07059	16.2
95.04986	8.0
95.08617	24.9
97.06535	12.2
98.06058	3.8
99.00817	5.0
102.11698	2.9
105.07028	31.9
107.04970	4.0
107.08619	14.9
109.06530	5.4
109.10159	75.2
109.10914	3.7
111.08125	3.9
113.05955	3.9
116.98607	3.3
117.07024	7.1
119.08586	40.8
121.06490	5.5
121.10137	17.7
123.08041	4.3
123.11717	17.2
129.06995	12.5
131.08568	9.5
133.10130	13.0
135.08046	4.1
137.09634	4.2
143.08543	6.9
145.10138	18.0
147.08058	4.6
147.11693	65.3
149.09595	5.0
155.08575	5.0
155.10634	3.0
157.10141	20.9
158.07249	3.7
159.08023	4.1
159.11700	12.8
165.12740	28.3
168.09236	3.6
169.10121	7.0
171.08098	4.0
171.11707	7.0
173.09631	7.8
173.11751	26.3
173.13251	7.7
175.11163	14.8
181.10190	3.5
183.11629	7.0
185.13242	7.0
187.11124	4.5
191.02365	3.2
193.12256	7.0
193.15956	3.6
201.16438	5.8
211.11258	4.8
211.13164	4.9
211.14917	4.4
229.04897	3.7
229.08685	6.2
229.12212	15.2
229.14354	100.0
229.15833	16.7
229.19510	11.0
229.23503	6.7
230.19087	17.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1434
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03942	6.7
55.01874	4.2
55.05509	29.4
56.96562	25.1
57.03429	14.5
57.07072	5.3
59.05004	4.0
67.05502	75.8
67.80245	2.6
69.03429	11.2
69.07062	33.8
70.06586	5.2
70.13542	12.2
71.05006	12.3
73.02927	3.4
75.90134	2.2
79.05493	33.9
81.03408	17.5
81.07054	100.0
82.07410	2.8
83.04974	14.3
83.08614	22.5
85.02889	8.3
85.06541	11.9
86.06035	5.5
86.09687	3.5
87.04475	3.5
91.05472	26.7
93.07040	45.7
94.07381	3.4
95.04948	16.2
95.08602	48.3
95.80446	2.3
97.02893	10.4
97.06519	4.8
97.10171	9.3
98.96932	4.7
98.97577	89.6
99.00815	5.1
99.04475	3.8
99.08096	6.0
105.07026	40.3
107.04966	5.5
107.08595	40.8
108.08907	3.6
109.06522	6.0
109.10152	74.4
110.97467	2.4
111.04446	3.0
111.08093	6.9
111.11684	3.3
116.98615	76.1
117.07034	9.5
119.01929	5.8
119.08579	32.7
121.06543	3.2
121.10148	19.3
123.08052	2.9
123.11733	12.9
125.09601	5.1
127.03949	4.7
127.11195	5.0
129.07025	8.9
131.08539	13.9
133.10124	19.6
134.99657	57.8
135.00652	4.5
135.11687	18.6
137.02867	4.2
137.09592	6.9
140.00163	8.1
141.06987	4.5
142.07761	3.9
143.08549	8.8
145.06470	3.1
145.10112	13.6
146.99649	4.2
147.11678	23.1
149.13307	4.1
151.14778	3.5
153.00696	6.8
155.08566	8.6
157.10165	10.5
158.01259	6.2
158.99664	41.1
159.08063	5.0
159.11719	11.8
161.13278	3.4
165.12834	3.2
167.14365	3.2
168.09259	2.6
169.08755	2.8
169.10091	5.7
169.12285	4.6
171.08046	3.4
173.09682	9.8
173.11752	16.9
173.13260	8.9
174.08113	3.7
175.11198	8.9
175.14900	6.2
177.00705	80.1
178.01067	2.6
183.08150	4.4
183.11691	11.0
185.13222	3.3
187.04388	3.7
187.11296	5.1
187.14809	5.1
189.00734	3.5
190.09296	3.9
193.12259	26.5
193.15877	3.5
195.01758	8.2
195.07887	3.6
200.02274	14.2
201.12746	3.5
205.98730	3.8
209.10204	3.8
211.11295	5.7
211.13307	29.3
211.14906	6.3
211.17001	9.2
217.05228	2.9
218.09885	3.3
219.01805	11.6
220.10361	57.2
220.60605	10.5
229.08647	9.8
229.12236	13.8
229.14255	13.5
229.16191	30.3
229.19560	15.6
229.23412	4.5
230.13992	3.6
240.61717	9.5
241.11877	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0858
Annotation	Resveratrol
Peak:m/z	Relative Intensity
53.03940	1.2
55.01871	1.4
55.05507	1.0
56.96572	0.9
57.03434	1.2
61.69457	0.4
65.03946	1.6
67.05506	6.1
68.99776	2.6
69.03432	0.9
69.07059	1.8
70.06581	0.7
70.19651	1.6
71.01349	0.6
71.05000	1.2
77.03924	0.5
79.05483	4.0
81.03410	1.5
81.07047	3.0
83.08618	0.8
85.02879	0.6
88.54272	0.5
91.05479	37.2
93.07053	1.6
95.01279	0.6
95.04977	5.0
95.08613	2.5
97.02885	0.5
99.08092	1.2
105.07059	1.5
107.04952	86.6
107.08594	1.8
109.02845	2.7
109.06494	0.9
109.10152	7.7
110.03700	0.7
111.04445	5.0
115.05431	0.8
117.06991	0.9
119.04944	27.7
119.08543	2.4
120.05720	11.0
121.02870	4.8
121.10146	1.6
123.04404	3.2
123.08070	0.7
123.11662	1.3
124.07613	1.5
125.09606	1.0
126.09142	0.7
129.07016	0.9
131.04948	0.8
131.08588	1.2
131.31924	0.5
133.10172	2.5
135.04411	63.7
135.11682	2.3
136.05197	4.9
137.09621	0.8
141.06989	3.9
144.05727	0.6
145.06473	5.2
145.10117	0.7
147.11690	2.0
153.07031	3.9
154.07733	0.7
155.08583	5.1
157.06506	1.4
159.08023	1.7
160.05188	0.9
161.02962	0.6
161.06001	0.8
165.06998	17.5
165.12781	0.9
166.07419	0.5
168.05650	1.0
169.06490	1.2
173.05986	0.7
173.09506	0.7
173.11780	1.3
175.14832	2.8
181.06480	1.1
182.07278	1.2
183.08044	10.8
183.11681	0.8
187.07587	1.6
193.06404	3.3
193.12216	1.2
193.15923	2.8
197.05225	1.9
201.09116	2.1
206.05727	1.9
211.07547	8.1
211.15062	0.5
211.16960	1.7
212.08215	0.8
215.06471	0.6
217.71783	0.5
229.08589	100.0
229.14345	2.1
230.08984	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	229.047
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65270	0.4
55.01865	1.8
55.05494	0.9
56.96569	18.4
57.03438	3.3
58.06604	4.6
58.99860	0.6
59.05000	0.5
59.07373	0.9
60.08165	5.0
61.02930	7.7
68.05026	0.9
69.03439	3.4
69.69807	3.3
70.06596	27.5
70.95905	0.4
70.98112	1.0
71.01344	0.5
71.04984	0.5
71.95232	0.6
72.08154	2.3
72.96018	0.5
73.02914	4.8
74.97604	0.8
75.04475	0.5
77.00945	0.5
81.03444	1.0
84.04482	1.3
84.08133	1.8
84.96033	1.4
85.02907	5.5
85.04027	0.4
86.09721	2.4
88.99138	0.9
89.00792	0.8
91.03937	0.6
91.58254	0.4
92.01322	0.7
95.00707	0.4
96.08121	1.3
97.02371	0.5
97.02900	4.7
97.99191	0.6
98.01311	1.0
98.03163	0.5
98.06055	0.7
98.97583	13.1
99.02052	0.5
99.04440	1.4
101.00866	4.4
101.02512	0.6
103.02355	0.6
104.01302	0.8
104.03055	0.5
105.00269	0.5
105.02070	0.4
106.01045	0.6
109.02909	0.7
110.01286	1.0
110.97560	1.7
112.99137	0.7
114.05562	3.0
114.06236	0.6
114.09142	1.8
115.00677	0.4
116.07096	0.9
116.98625	10.9
117.01968	0.7
118.01073	0.7
118.02809	0.8
119.01910	23.8
120.01977	0.4
124.07592	3.4
125.01814	0.5
126.02618	0.5
126.09120	0.6
127.03932	2.4
128.02335	5.1
128.98634	2.9
131.00151	1.0
131.01891	1.3
132.00783	0.7
133.01706	2.3
133.03456	1.6
134.01283	0.4
134.99661	8.7
135.01276	0.5
135.03053	1.6
137.02917	9.4
137.03992	0.5
139.01450	0.6
139.03270	0.6
140.02351	0.7
140.97160	0.4
141.01282	1.6
141.03098	1.0
141.53255	0.5
142.03481	0.6
142.08641	27.5
143.00160	0.8
143.01830	0.5
144.03490	0.5
144.99864	2.0
145.01627	1.0
145.03424	0.7
145.99968	0.6
146.99664	2.3
147.01277	0.7
147.03154	0.7
148.02042	0.7
148.03873	6.1
148.05695	0.6
149.01187	1.2
149.02855	0.4
150.01805	0.4
150.03618	0.7
150.99055	0.7
151.02753	1.4
151.04547	0.6
152.02289	0.9
153.00764	1.4
155.02866	0.7
156.03664	0.5
157.02544	1.2
157.04453	4.4
157.54576	0.7
158.01259	0.5
158.04910	0.9
158.99635	1.3
159.01300	0.7
159.54648	1.4
160.02034	0.6
160.06470	1.7
161.01225	1.1
161.02902	1.6
162.01794	1.1
162.99182	0.8
163.00809	0.5
163.04439	0.8
165.00742	2.0
168.01762	1.2
168.03714	0.6
168.51990	0.6
168.55171	0.6
168.99893	2.6
169.02689	2.6
170.05141	0.9
170.08099	1.5
170.99614	1.0
171.02388	1.1
173.03040	0.6
174.01830	0.9
174.99142	0.4
175.02647	1.3
175.04309	0.5
176.03439	1.0
177.00700	1.8
177.02373	2.2
177.03773	0.5
178.03185	0.5
178.04909	1.8
178.07527	0.7
179.02209	0.5
182.03331	0.7
183.02264	1.9
183.04036	0.9
183.11348	1.2
184.03081	1.9
184.04776	1.0
186.99286	0.7
187.00896	6.5
188.05907	0.9
188.97032	0.8
189.00755	2.0
189.02396	0.7
189.04265	1.2
190.03143	1.5
190.04759	0.5
190.98683	0.8
191.02290	0.5
191.03947	1.6
192.02829	1.4
193.00198	0.6
193.03687	0.9
196.99321	0.7
197.01060	1.2
198.02849	0.5
199.03578	0.9
201.00691	1.3
204.02849	1.5
205.00179	1.3
205.01912	1.7
205.03613	0.6
205.05525	0.6
205.98933	0.6
206.07054	3.3
206.98080	0.9
207.01781	1.1
213.03423	1.7
215.00371	6.2
215.02185	0.7
217.00272	0.6
219.01820	1.7
220.04132	1.3
220.06007	3.3
220.56165	0.7
223.01218	1.1
224.08080	5.2
229.06526	2.9
229.15485	100.0
230.06970	0.6
230.98184	0.6
235.01187	0.5
237.02795	2.6
247.01106	0.7
247.09784	0.9
248.08107	1.4
248.99313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.4
56.37027	0.4
56.96291	0.8
56.96558	11.4
57.03434	5.8
58.06595	5.2
59.07379	0.7
60.08161	6.2
61.02927	14.8
67.05485	0.8
68.04998	0.6
69.03425	5.2
70.06590	29.9
70.98112	0.8
71.04969	0.8
71.36160	0.6
71.58219	1.0
72.08148	2.3
73.02916	8.2
73.06532	0.7
74.97614	0.6
75.04464	1.3
76.02669	0.6
81.03408	1.6
83.00733	0.5
83.04948	0.6
84.04502	1.2
84.08134	1.0
84.96024	1.6
85.02898	8.1
86.09691	1.7
88.99176	1.0
96.01534	1.5
96.08105	1.1
97.00507	0.8
97.02879	6.9
98.01270	1.0
98.03204	0.5
98.97578	10.0
99.04426	1.5
101.00838	2.9
101.02489	0.5
104.01283	0.6
105.02050	0.7
106.00998	0.7
107.01818	0.6
109.02843	0.9
110.01245	3.1
110.97559	2.6
111.02043	0.8
113.02390	0.7
114.05527	3.1
114.09132	1.2
115.01564	1.2
115.03915	1.3
116.07077	2.5
116.98615	7.1
117.01929	1.0
118.01033	0.7
118.08650	0.6
119.01872	20.0
120.97944	0.5
121.03507	0.8
121.52058	0.8
124.01023	0.6
124.07584	3.6
124.95439	0.6
125.01788	0.7
126.02556	0.8
126.09122	0.8
127.01530	1.0
127.03896	3.1
128.02295	9.9
128.98602	4.3
130.52522	0.8
131.00201	0.8
131.01828	2.4
132.00687	1.1
133.01595	1.8
133.03426	2.9
134.02235	0.8
134.99623	3.2
135.03081	5.2
137.02879	8.7
139.01465	0.8
139.04225	0.9
139.53191	1.0
140.02280	1.7
140.98543	1.2
141.01259	1.9
141.03087	1.2
141.53256	1.0
142.08623	29.4
142.96532	0.8
143.00113	1.1
143.01819	0.7
144.03589	1.6
144.99814	1.5
145.01540	1.3
145.03479	1.1
145.04918	0.6
146.02251	0.6
146.53824	0.7
146.99638	4.3
147.01285	0.7
147.03076	1.4
148.02043	2.2
148.03705	2.5
148.04872	3.5
149.01210	2.2
150.01692	0.9
150.03592	1.2
151.04454	1.2
153.01276	1.9
154.02036	0.7
156.01732	0.6
156.03636	1.2
156.53825	1.5
157.02426	1.0
157.04402	1.6
158.99652	2.3
159.01239	1.1
159.55591	1.1
160.02010	1.1
160.97536	0.7
161.01202	1.7
161.02898	1.4
162.01778	2.3
162.99086	0.8
163.02626	0.8
165.00713	3.3
167.02257	0.9
167.03804	0.6
168.01811	2.6
168.99815	1.3
169.02536	4.3
169.13332	0.8
169.52725	0.7
170.08154	1.3
170.99638	1.9
171.02338	1.2
172.95129	0.7
172.97525	0.6
173.01259	0.6
173.02917	1.5
174.01743	1.0
174.99112	1.6
175.02640	2.0
175.04507	1.7
177.00668	2.6
177.02324	2.3
177.03966	0.5
178.03093	2.3
183.02408	3.4
183.03775	0.7
183.11349	1.0
184.03116	3.3
184.04578	0.8
184.53185	0.5
186.96857	0.6
186.99234	0.8
187.00827	4.4
187.04472	0.9
188.96989	0.9
189.00757	3.6
190.03076	3.0
190.98628	1.5
191.04007	0.9
192.02802	2.6
193.00272	2.5
193.03517	1.1
199.03590	1.8
201.00656	2.7
202.98657	0.9
203.04050	0.8
204.02783	2.9
205.00143	1.3
205.01895	0.7
205.03755	0.7
207.01706	1.7
209.03310	0.9
211.03569	1.0
213.03386	3.8
215.00352	3.5
217.00214	0.9
218.41827	0.6
219.01717	2.1
220.04120	2.1
220.06000	2.9
221.05017	1.0
222.03880	0.7
223.01154	1.7
228.55885	1.8
229.06506	1.7
229.15456	100.0
230.98073	0.9
235.01225	0.8
237.02869	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	228.1675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.0
55.01879	3.7
55.05507	11.8
56.05856	2.4
56.96556	2.0
57.03435	6.7
57.07070	5.7
59.05006	8.3
64.15227	1.8
67.05504	19.6
68.05849	4.7
69.03428	11.9
69.07069	14.6
70.03761	3.2
70.06600	3.4
70.07401	4.2
71.04996	100.0
71.60826	2.8
72.05331	45.5
72.08167	2.4
73.02918	2.9
79.05479	12.1
79.49853	2.2
80.05843	8.2
81.03428	2.9
81.07059	19.9
82.07392	9.6
83.04992	9.7
83.08649	6.6
83.41189	2.0
84.05326	4.0
85.02911	4.1
85.06557	8.9
86.06874	3.9
86.09717	6.6
91.05461	11.3
92.05841	7.7
93.07043	19.9
94.06583	3.0
94.07372	20.4
95.04975	6.6
95.08614	28.7
95.27961	2.0
96.05306	4.9
96.08942	28.3
97.02918	3.4
97.06522	9.5
97.10188	4.6
98.06900	5.5
98.10499	3.2
99.04488	2.8
100.08477	1.8
100.11287	3.3
101.11602	2.6
103.05458	2.0
105.07034	17.3
106.07360	17.3
107.04940	2.3
107.08599	21.0
108.08932	25.6
108.56329	2.0
109.06524	14.3
109.10160	18.8
110.06797	9.8
110.10499	14.7
111.08101	5.9
112.08448	8.8
113.05973	2.9
116.98635	3.5
119.01910	2.8
119.08609	6.9
120.08905	10.1
120.63552	1.9
121.01679	3.1
121.10146	43.1
122.10481	87.0
123.08096	7.1
124.07620	5.1
124.08429	5.8
124.12094	4.3
125.09639	3.6
126.10002	5.1
127.03958	2.8
130.07338	2.2
131.01901	2.6
131.08594	6.7
132.08940	9.8
133.10114	21.2
134.10477	57.5
135.08084	6.0
135.11678	5.3
136.08359	11.7
136.12061	11.7
137.09528	3.0
138.09990	2.8
139.11191	37.6
140.11523	73.1
143.01970	3.5
144.08920	2.6
145.01627	2.7
146.10498	10.0
147.11696	4.3
148.12041	7.8
149.09633	5.0
150.09985	9.6
150.13605	11.6
151.11205	6.7
152.11513	15.0
153.09283	2.1
157.10037	2.0
159.11304	5.7
161.02989	7.3
163.02745	6.5
164.15141	10.4
168.07524	3.0
173.11885	2.4
174.13623	34.0
174.42656	2.2
175.02866	2.1
175.58122	2.2
179.07352	3.3
182.11784	2.7
183.08058	2.7
183.11552	2.3
192.10947	2.6
192.14662	50.7
205.03989	2.5
210.12180	3.7
210.15714	32.6
228.06831	1.9
228.10423	2.4
228.12442	4.2
228.16109	3.8
228.23270	21.2
229.08678	11.4
229.12196	2.7
229.14262	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.03932	1.5
55.01859	2.5
55.05263	1.3
55.05506	15.1
56.96540	2.4
57.03429	6.5
57.07052	4.3
59.04977	4.9
67.05506	13.7
69.03403	5.8
69.03756	1.4
69.07069	13.7
69.65533	1.4
70.79588	2.8
70.79929	2.1
71.04996	20.0
71.08611	1.3
75.04451	1.5
79.05494	10.4
81.03390	1.8
81.07059	19.5
81.09968	1.2
83.04980	6.7
83.08598	7.0
85.02883	1.8
85.06544	8.3
91.05494	8.3
93.07045	26.0
95.04969	100.0
95.08611	20.5
97.02863	3.6
97.06521	21.2
97.10136	3.0
98.97568	4.3
99.04459	23.6
99.07512	1.8
99.08094	21.3
100.09344	1.4
100.11259	9.6
105.07024	12.4
107.08595	24.6
109.05924	1.5
109.06524	19.5
109.09582	1.3
109.10150	13.8
111.08086	7.7
113.05936	1.4
115.07558	7.4
116.98574	4.9
117.07021	2.1
119.01852	4.2
119.08596	8.4
121.06475	3.6
121.09349	1.8
121.10148	23.8
123.08061	6.3
123.11699	8.3
125.09628	10.3
127.07555	12.8
131.08601	6.7
133.09123	1.7
133.10127	33.5
134.99663	3.0
135.08057	8.5
135.11705	8.8
137.09543	3.5
139.07480	2.1
139.11157	10.9
143.01875	5.0
143.08519	2.7
143.10617	3.6
145.10112	6.2
147.11720	8.1
149.09584	3.7
149.13252	10.7
151.11127	6.0
153.09097	33.6
158.10883	1.6
158.99648	2.7
161.02924	8.9
162.03064	2.5
163.07489	3.9
163.11119	4.2
163.14787	7.3
165.12726	1.5
167.07018	12.3
167.10631	1.9
167.14273	1.5
171.10094	10.2
171.11559	2.0
173.13269	17.7
174.13606	1.4
177.00620	3.0
177.05408	1.4
181.12219	2.6
191.02162	1.9
191.10661	1.6
191.14273	17.1
209.08009	1.8
209.11656	3.5
209.15297	29.5
215.10049	1.8
227.06883	3.6
227.12869	6.1
227.16333	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	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
52.52654	1.4
55.05511	10.9
57.03426	6.5
57.07058	7.0
58.40840	1.5
59.04992	6.1
59.58461	1.4
65.03953	2.2
65.61082	1.6
67.05503	8.4
69.03413	6.0
69.06719	1.9
69.07071	22.9
70.87369	4.9
71.05001	21.5
75.04465	2.1
79.05507	7.2
81.07062	21.3
83.04970	11.2
83.08611	14.1
85.06547	8.6
86.09723	2.1
91.05477	29.3
93.07043	24.0
95.04967	100.0
95.08611	17.7
97.06533	23.0
97.10181	3.6
98.97567	2.0
99.04462	17.8
99.08098	38.2
100.11230	5.7
105.07023	11.7
107.08593	32.5
109.06516	16.2
109.10157	16.3
111.08098	10.1
113.09634	2.4
115.07574	8.5
116.98625	1.8
119.08576	7.0
121.06487	1.6
121.10153	27.0
123.08051	5.0
123.11716	8.1
124.88576	1.5
125.06057	1.5
125.09639	12.8
125.13277	4.1
127.07549	22.2
129.05472	2.1
131.00136	1.9
131.08549	7.5
133.10129	46.0
135.08066	7.6
135.11681	8.0
136.69591	1.4
137.09608	4.0
139.07512	2.3
139.11191	17.0
143.10657	3.4
145.10130	3.0
147.11635	8.4
149.09592	7.1
149.13239	18.9
151.11182	8.5
153.09109	42.2
158.10938	1.9
163.14815	9.0
165.12767	4.5
167.07019	3.3
167.10672	5.2
167.14311	4.9
171.10153	16.4
173.13268	21.7
180.33658	1.7
191.14326	23.2
209.15350	36.7
227.16414	83.2
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
55.01860	3.9
55.05514	11.5
56.96567	2.1
57.03421	3.9
57.07053	5.5
59.05005	2.5
65.03943	4.3
67.05518	12.6
69.03421	6.9
69.07072	24.7
70.73615	4.0
71.04994	22.9
72.52221	1.9
73.02916	22.4
76.64623	1.9
79.05499	10.8
81.07061	23.7
82.91861	1.9
83.04973	9.1
83.08612	8.0
85.02901	3.9
85.06541	6.6
86.09705	5.3
91.05506	15.7
93.07047	29.3
95.04975	49.9
95.08613	30.3
97.06543	19.9
97.10201	2.7
98.97570	4.5
99.04447	11.1
99.08092	14.4
100.11247	7.2
104.05472	2.1
105.07040	20.0
107.04941	2.9
107.08602	48.2
109.06511	15.6
109.10163	18.6
111.08107	11.6
115.07563	6.1
119.08585	13.3
121.06490	4.4
121.09324	2.7
121.10148	36.0
123.04456	3.4
123.08079	13.5
123.11721	7.1
125.09625	12.0
127.07580	5.9
131.08589	15.8
133.10136	100.0
135.08040	11.7
135.11708	14.7
137.09612	7.2
139.07538	2.8
139.11165	8.1
140.04697	29.2
143.08530	3.8
143.10713	3.7
145.10127	9.8
147.11722	12.5
148.41930	1.9
149.09637	6.9
149.13281	18.6
151.11183	10.7
153.09134	20.3
155.05840	1.5
155.07040	36.5
158.10934	6.1
161.13196	3.7
163.14801	25.4
165.12764	5.2
167.07034	4.4
171.06548	4.8
171.10164	6.8
173.08121	5.5
173.13286	47.1
181.04964	52.7
191.12683	2.7
191.14326	48.9
209.08151	10.7
209.15358	33.7
213.49469	2.1
227.09184	14.3
227.16360	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	227.1641
Annotation	MKN-003C
Peak:m/z	Relative Intensity
53.00295	0.7
53.03938	0.8
55.01867	0.8
55.05514	2.7
56.02654	0.9
56.96567	0.6
57.03434	0.7
57.07080	0.8
59.90025	0.4
61.62963	0.3
65.03935	0.5
67.05504	20.1
69.03423	0.4
69.07071	3.2
70.88625	0.6
70.88985	0.6
71.04992	100.0
72.05320	0.3
72.73276	0.3
79.05492	8.0
79.05960	0.4
81.07055	27.5
83.04973	1.6
83.08610	2.5
85.06541	2.4
91.05482	4.7
93.07043	14.2
95.04984	1.6
95.05556	0.3
95.08604	14.8
97.06525	3.1
97.10159	0.6
99.04460	0.6
99.08102	1.2
100.11239	1.5
105.07030	2.4
107.04985	0.4
107.08591	6.1
109.06530	1.5
109.10135	1.7
111.08089	2.3
113.06028	0.7
117.07014	3.4
117.64744	0.4
119.08595	1.3
121.06544	0.7
121.10125	2.3
123.08125	0.4
123.11684	0.3
125.09643	0.8
127.07563	0.8
131.08577	3.3
133.10139	4.6
135.08118	0.8
135.11688	9.6
139.07524	0.5
149.09645	0.8
149.13248	5.5
149.14351	0.4
153.09180	0.4
157.10149	0.4
159.11685	7.2
163.11139	0.7
169.10182	0.3
175.14857	0.5
177.12767	3.1
193.15857	0.5
195.13771	2.3
209.11789	0.5
209.15268	2.3
227.07065	0.6
227.10799	0.5
227.12813	1.3
227.16322	0.6
227.18204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.27837	1.8
53.03922	3.1
55.01866	3.6
55.05511	13.8
57.03428	4.9
57.07066	6.4
59.04988	4.6
63.85174	1.7
65.03954	2.0
67.05187	1.9
67.05502	15.4
69.03423	11.3
69.07067	24.3
69.93864	8.5
69.98295	1.7
71.04990	100.0
71.80986	1.7
72.93761	2.4
73.02905	3.4
79.05485	16.7
81.03397	2.6
81.07047	30.2
82.79874	2.0
83.04989	16.4
83.08611	8.1
85.06552	9.8
86.09711	15.5
91.05485	17.0
93.07043	37.8
95.04970	15.3
95.08602	38.7
97.02869	2.5
97.06532	13.1
97.10175	3.1
98.97582	6.3
99.04449	27.4
99.08083	4.4
100.11262	15.0
103.05439	2.2
105.07034	25.9
107.04945	16.7
107.08592	41.6
109.02859	2.5
109.06515	17.3
109.10143	22.5
111.08082	13.4
115.07526	2.0
116.98605	4.5
117.06988	2.4
119.08578	11.9
121.06488	7.8
121.10144	94.6
123.04438	2.3
123.08085	13.1
123.11716	14.9
125.05988	2.1
125.09641	10.1
127.07537	2.3
131.08585	12.5
131.30003	2.0
133.10129	51.9
135.08061	10.6
135.11682	10.1
137.05977	2.9
137.09634	4.1
139.11180	60.5
145.03363	2.0
145.10123	7.4
147.11679	10.7
149.05960	4.0
149.09630	8.9
149.13286	13.3
151.03906	3.3
151.11176	21.2
153.09114	5.3
155.58272	2.5
157.12242	2.8
158.10907	2.8
161.03018	4.1
163.11049	3.9
163.14827	8.5
165.05438	5.9
165.12817	3.5
167.07039	24.4
167.10689	8.4
167.14322	5.1
168.17352	2.1
169.12230	8.2
171.10228	2.5
171.11612	2.4
173.11914	3.2
173.13281	29.6
173.14728	3.2
177.00751	2.2
177.05478	8.0
179.14265	1.6
181.05026	2.2
181.06499	4.0
183.13896	3.1
191.10606	2.9
191.14282	33.2
209.11752	7.1
209.15302	27.2
227.07039	7.8
227.10628	3.2
227.12675	2.7
227.14342	3.3
227.16100	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	227.1641
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03934	1.2
55.05502	7.1
56.96549	2.1
57.03426	2.7
57.07062	1.9
59.04980	1.2
65.03925	1.1
67.05508	5.7
68.89007	1.0
69.03416	2.8
69.06725	1.7
69.07067	17.8
70.83251	2.6
71.04992	5.2
75.91353	1.0
79.05500	5.4
81.07050	12.6
83.04964	4.6
83.08604	4.5
85.06517	4.7
86.09704	2.0
91.05476	6.6
93.07035	14.6
93.84753	0.9
95.04985	8.1
95.08607	20.4
97.06527	9.9
99.04495	1.6
99.08058	2.1
100.11239	2.4
105.07025	13.4
107.08591	26.7
109.06492	4.6
109.10172	8.9
110.97583	2.1
111.08087	9.1
115.07561	4.2
119.08562	8.1
121.06493	3.5
121.09315	2.0
121.10138	24.9
123.08054	6.8
123.11700	3.8
123.73299	1.0
125.09637	2.9
127.07561	1.3
128.98628	1.5
129.09067	1.9
131.08569	11.6
133.10129	100.0
135.08069	8.7
135.11690	13.0
137.09602	2.1
139.07495	1.8
139.11189	2.2
140.08315	2.2
143.08563	3.6
145.10127	5.7
146.99673	1.6
147.11674	4.4
149.09621	7.2
149.13271	8.5
151.11172	9.3
153.09106	3.1
158.10878	4.7
161.05936	1.0
161.13210	1.5
163.14813	20.6
167.07027	2.4
173.13261	35.3
181.15834	1.4
191.14302	33.3
192.14546	1.3
209.15355	15.7
227.16341	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
51.26384	2.0
55.05499	7.7
57.03418	4.0
59.04993	2.6
62.85148	2.4
67.05499	6.5
69.03402	5.4
69.07058	7.9
69.55533	18.1
69.55920	3.2
71.04993	99.3
79.05495	9.4
81.07056	19.9
83.04978	9.9
83.08628	3.2
83.55221	2.0
85.06541	9.6
86.60715	2.1
90.66237	2.6
91.05474	7.9
93.07036	24.1
95.04963	6.4
95.08605	41.0
97.06522	9.2
97.10152	2.3
98.21496	2.8
100.11258	2.7
105.07024	20.9
107.08589	30.4
109.06506	18.0
109.10151	15.1
111.08071	12.4
115.07619	3.0
119.08559	10.8
121.06489	4.8
121.10132	100.0
121.66222	2.0
123.08115	7.8
123.59771	2.1
125.09599	3.3
131.08566	11.5
133.10121	60.4
133.11096	4.8
135.08046	13.7
135.11679	6.9
139.11176	75.4
143.08514	3.2
145.10196	3.2
147.11682	9.3
149.09622	9.1
149.13249	11.8
151.11186	13.8
153.09096	3.7
157.12262	4.2
158.10933	5.2
161.02953	4.6
163.14851	7.3
173.13274	28.1
191.10663	2.9
191.14304	37.7
209.11725	3.8
209.15323	25.2
227.12683	2.2
227.16187	3.0
229.93147	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	227.1642
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03933	4.7
55.01882	9.7
55.05509	34.1
56.96563	5.8
57.03427	8.1
57.07067	14.8
59.04998	5.9
59.54354	2.0
61.02932	3.0
65.03937	4.4
67.05507	38.9
68.38516	2.1
69.03421	20.8
69.07068	36.6
69.45908	18.2
70.06583	3.6
71.04993	37.2
72.08159	2.4
73.02914	11.5
73.06574	2.0
79.05492	32.3
80.05816	2.2
81.03409	5.4
81.07054	50.0
83.04975	19.8
83.08624	19.1
84.08147	2.7
85.02907	7.2
85.06542	59.6
86.09713	21.9
87.04429	2.3
91.05475	25.0
93.07040	70.3
95.04966	96.6
95.08605	38.6
97.02901	7.8
97.06537	27.5
97.10159	8.6
98.97586	9.1
99.04450	18.5
99.08102	35.4
100.07796	1.7
100.11255	45.0
101.05952	3.4
103.05460	2.4
105.07033	42.0
107.04937	10.7
107.08594	85.8
108.08923	2.6
109.06513	36.9
109.10154	28.5
111.04431	11.3
111.08092	13.1
111.11702	3.8
113.06017	5.5
113.09610	3.4
115.07567	9.1
116.98621	8.9
117.07020	8.4
119.01965	2.4
119.04910	3.1
119.08579	28.3
121.06503	20.7
121.10141	74.8
121.11028	4.0
123.04449	4.1
123.08055	18.8
123.11700	17.7
125.05995	7.8
125.09618	17.7
127.03923	3.0
127.07554	15.9
127.11279	2.4
129.07011	5.6
131.08569	49.3
131.97536	2.3
133.10124	100.0
134.10570	2.2
134.99677	6.3
135.08041	16.7
135.11688	27.3
137.06042	3.8
137.09618	14.7
137.13242	2.8
138.09186	2.4
139.03915	3.5
139.07538	5.9
139.11171	19.7
139.17429	2.3
140.04694	8.6
143.01918	3.6
143.08603	4.9
143.10690	3.0
145.10114	33.8
147.08038	6.0
147.11700	13.1
149.06030	5.0
149.09618	43.2
149.13260	20.2
151.07521	2.7
151.11198	17.9
153.05452	3.8
153.09103	31.4
153.12747	4.2
155.07057	17.6
158.06860	3.3
158.10947	4.7
158.99635	5.5
161.02971	7.8
161.13263	3.0
163.07564	3.0
163.11177	37.1
163.14830	22.1
165.09114	7.3
165.12778	6.5
167.07047	22.6
167.10669	22.7
167.85298	1.8
169.08636	3.9
170.99835	2.0
171.06595	2.3
171.08052	2.7
171.10237	10.8
173.09599	7.1
173.13266	40.4
177.00671	7.9
177.05450	5.7
181.05008	21.7
181.08577	4.5
181.12190	10.2
181.15829	3.3
183.10173	2.4
191.10678	43.4
191.14307	41.7
195.07841	8.3
206.58583	2.3
209.08403	3.5
209.11737	47.4
209.15269	50.6
216.06528	8.8
225.07051	4.4
227.07082	7.7
227.10519	4.0
227.12773	27.5
227.16209	60.9
227.57346	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45597	1.1
51.58733	1.0
53.03933	1.5
55.01867	4.0
55.05513	9.2
56.96546	1.2
57.03424	3.6
57.07083	6.4
59.28283	0.8
65.03936	1.7
67.05506	27.2
69.03430	4.4
69.07072	16.3
71.04999	21.6
71.59187	1.6
72.71863	0.8
73.02910	2.5
78.99509	0.8
79.05496	23.4
79.05959	1.4
81.03407	1.5
81.07061	13.3
83.04988	12.6
83.08614	3.1
83.98325	0.9
85.02926	1.4
85.06547	100.0
86.09711	2.8
87.04469	1.1
91.05483	14.0
93.07050	26.1
95.04974	19.7
95.08620	12.6
97.02892	1.0
97.06538	12.4
97.10181	0.9
98.97597	1.2
99.04460	3.9
99.08090	6.1
99.52798	0.9
100.11256	4.9
103.05473	1.2
105.07035	20.9
107.04958	11.6
107.08598	36.0
109.06517	9.2
109.10152	6.3
111.04459	13.7
111.08076	6.0
113.05975	1.3
114.34425	0.9
115.07585	1.9
116.98615	1.0
117.07008	5.7
119.08577	19.3
121.06504	14.8
121.10147	30.2
123.04451	3.3
123.08064	4.9
123.11710	2.8
125.05994	7.8
125.09632	5.4
127.03890	0.9
129.07019	7.1
129.09142	1.9
130.07787	1.4
131.08574	60.1
133.10133	39.8
135.08063	7.4
135.11699	11.5
137.05957	2.5
137.09631	8.6
139.07549	3.4
139.11124	1.8
140.04712	3.7
141.05435	1.2
143.07059	1.6
143.08611	1.9
145.06493	1.7
145.10133	26.1
147.08029	4.9
147.11688	3.5
149.05974	3.0
149.09627	58.7
149.13283	4.7
151.07556	1.2
151.11151	5.1
153.05467	4.0
153.09109	11.3
155.07036	7.0
155.08365	1.8
158.10905	2.4
163.07622	2.1
163.11180	24.2
163.14864	6.6
165.09105	10.0
165.12726	1.3
167.07054	9.6
167.10675	32.9
171.10196	0.9
173.09587	6.3
173.13268	14.3
177.05446	3.0
178.27869	1.0
179.10672	1.9
181.04970	7.4
191.10669	56.5
191.14316	14.9
192.11024	0.9
197.11729	1.5
208.82753	0.9
209.08083	4.2
209.11742	59.8
209.15173	10.4
227.09023	6.0
227.12799	31.5
227.16133	6.8
228.13078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03936	1.7
53.64618	0.6
55.01871	5.5
55.05509	11.2
56.96550	1.6
57.03425	2.4
57.07066	1.8
58.55740	0.6
67.05175	1.2
67.05505	15.8
69.03413	1.6
69.07070	7.8
69.33474	6.0
69.33896	1.5
71.04975	3.1
73.02907	2.7
79.05492	24.1
79.05956	1.2
81.03416	3.6
81.07058	20.0
83.01321	0.7
83.04976	4.5
83.08153	0.9
83.08617	10.7
91.05470	8.1
93.07043	32.3
95.04973	6.9
95.08605	42.6
97.02884	4.6
97.06541	4.3
97.10166	1.4
98.21525	1.4
99.04485	4.2
100.11246	1.7
103.05459	1.4
105.07008	8.0
105.69161	0.7
107.04936	8.3
107.08593	25.0
109.06490	1.7
109.10139	3.3
111.04444	2.5
111.08076	2.5
113.09588	0.9
117.07008	6.8
119.08575	8.6
121.06511	6.8
121.10136	12.9
125.05984	3.4
130.07748	2.3
131.08534	1.2
133.10136	3.5
135.08038	2.5
135.11682	47.4
137.89375	0.8
139.07510	2.4
143.08574	1.6
145.06418	0.8
145.10121	25.9
153.12741	2.2
163.11174	67.1
167.07024	2.4
169.08513	0.8
174.01018	0.7
181.12244	15.0
191.10648	1.4
191.14311	0.7
209.11760	2.7
227.12772	100.0
228.13252	1.2
228.17474	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	227.1277
Annotation	12-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
53.03930	3.0
55.01875	12.2
55.05265	2.0
55.05507	30.8
56.96563	13.2
57.03427	5.0
57.07072	20.5
59.04987	2.3
67.05173	2.0
67.05499	23.7
67.08434	1.7
68.99790	12.2
69.03432	8.7
69.06718	1.8
69.07066	20.3
71.04989	10.9
71.08640	2.5
71.59592	2.1
71.59995	1.9
73.02898	1.9
75.38282	1.7
79.05482	23.0
79.30795	1.8
81.07056	33.1
83.04979	24.1
83.08617	44.6
85.02874	3.4
85.06558	8.6
85.10163	6.6
86.09688	6.1
91.05473	34.4
93.07041	35.8
95.04974	32.7
95.08613	24.8
97.06536	10.8
97.10178	10.3
98.97572	5.1
99.04448	5.4
99.08092	3.7
100.11263	16.1
101.02381	5.5
103.05492	3.7
105.07035	8.5
107.04932	6.8
107.08591	70.7
109.06519	32.9
109.10147	20.0
111.04440	29.2
111.08077	100.0
116.98614	5.0
117.07004	7.1
119.03389	7.1
119.04967	3.0
119.08540	9.2
121.06506	11.1
121.10133	17.2
123.04434	4.7
123.08012	6.6
123.11644	4.1
125.06000	3.7
125.09625	24.5
127.07558	5.0
129.05493	3.8
129.06976	3.4
131.04895	2.8
131.08557	6.4
131.97418	3.5
132.23195	1.9
133.10164	8.7
134.99640	3.4
135.08044	12.7
135.11726	10.0
137.06006	10.3
137.09680	1.9
142.06223	1.8
142.07756	3.4
143.08557	4.6
145.10080	8.5
147.11717	3.0
147.65875	2.0
149.05972	7.6
149.09636	13.0
149.13231	4.9
151.07497	6.3
151.11143	3.4
153.07904	3.8
153.09102	65.0
153.12755	18.2
155.07027	5.3
155.08546	2.1
156.09309	1.7
157.10056	8.4
163.11191	17.3
163.14793	2.7
167.07039	54.7
167.08353	1.9
167.10658	11.1
167.14294	3.6
169.08594	74.7
171.11685	9.1
173.09616	4.1
173.13193	4.3
177.00717	5.6
177.05466	17.3
177.09128	4.1
181.04959	3.4
181.06454	2.3
181.10641	2.4
181.12201	18.6
185.10062	3.4
185.11731	27.2
185.13231	3.4
189.11209	5.3
191.10652	12.3
191.14294	4.4
191.17970	2.8
195.08330	3.7
195.10159	74.5
198.10928	3.1
207.11472	5.0
209.08011	6.2
209.11633	13.7
209.13203	1.5
209.13597	1.5
209.15349	7.6
227.06982	4.6
227.10570	7.0
227.12741	35.7
227.14212	4.0
227.18127	22.5
227.20169	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	227.1278
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.45597	1.1
51.58733	1.0
53.03933	1.5
55.01867	4.0
55.05513	9.2
56.96546	1.2
57.03424	3.6
57.07083	6.4
59.28283	0.8
65.03936	1.7
67.05506	27.2
69.03430	4.4
69.07072	16.3
71.04999	21.6
71.59187	1.6
72.71863	0.8
73.02910	2.5
78.99509	0.8
79.05496	23.4
79.05959	1.4
81.03407	1.5
81.07061	13.3
83.04988	12.6
83.08614	3.1
83.98325	0.9
85.02926	1.4
85.06547	100.0
86.09711	2.8
87.04469	1.1
91.05483	14.0
93.07050	26.1
95.04974	19.7
95.08620	12.6
97.02892	1.0
97.06538	12.4
97.10181	0.9
98.97597	1.2
99.04460	3.9
99.08090	6.1
99.52798	0.9
100.11256	4.9
103.05473	1.2
105.07035	20.9
107.04958	11.6
107.08598	36.0
109.06517	9.2
109.10152	6.3
111.04459	13.7
111.08076	6.0
113.05975	1.3
114.34425	0.9
115.07585	1.9
116.98615	1.0
117.07008	5.7
119.08577	19.3
121.06504	14.8
121.10147	30.2
123.04451	3.3
123.08064	4.9
123.11710	2.8
125.05994	7.8
125.09632	5.4
127.03890	0.9
129.07019	7.1
129.09142	1.9
130.07787	1.4
131.08574	60.1
133.10133	39.8
135.08063	7.4
135.11699	11.5
137.05957	2.5
137.09631	8.6
139.07549	3.4
139.11124	1.8
140.04712	3.7
141.05435	1.2
143.07059	1.6
143.08611	1.9
145.06493	1.7
145.10133	26.1
147.08029	4.9
147.11688	3.5
149.05974	3.0
149.09627	58.7
149.13283	4.7
151.07556	1.2
151.11151	5.1
153.05467	4.0
153.09109	11.3
155.07036	7.0
155.08365	1.8
158.10905	2.4
163.07622	2.1
163.11180	24.2
163.14864	6.6
165.09105	10.0
165.12726	1.3
167.07054	9.6
167.10675	32.9
171.10196	0.9
173.09587	6.3
173.13268	14.3
177.05446	3.0
178.27869	1.0
179.10672	1.9
181.04970	7.4
191.10669	56.5
191.14316	14.9
192.11024	0.9
197.11729	1.5
208.82753	0.9
209.08083	4.2
209.11742	59.8
209.15173	10.4
227.09023	6.0
227.12799	31.5
227.16133	6.8
228.13078	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1277
Annotation	Stagonolide
Peak:m/z	Relative Intensity
53.03933	2.1
55.01854	4.7
55.05508	17.9
56.96557	3.6
57.03429	1.7
67.05512	16.3
69.03412	3.5
69.07075	10.9
71.04997	7.7
71.61018	2.3
72.93774	1.7
78.12573	1.5
79.05492	25.9
79.88676	1.4
81.03417	2.9
81.06646	2.0
81.07060	24.1
83.04960	4.9
83.08618	13.4
85.06546	2.0
91.05488	8.2
93.06487	1.9
93.07043	33.6
95.04967	8.2
95.08054	2.8
95.08605	36.3
97.02866	3.2
97.06506	5.4
97.10144	3.4
97.16966	1.5
99.04446	3.8
100.11234	6.7
105.07034	8.1
107.04958	9.0
107.08602	22.8
109.10157	5.0
111.04453	3.7
111.92390	1.6
114.62778	1.5
115.04201	1.6
116.05118	1.5
117.07028	10.1
119.08597	8.2
121.06492	5.2
121.10149	13.7
123.08060	1.5
125.05993	3.3
125.09606	5.6
131.08556	1.5
131.97447	2.1
133.10104	5.1
135.08018	3.5
135.11684	42.9
139.07553	1.5
145.06516	1.5
145.10127	22.6
149.13182	1.8
153.09064	2.1
153.12746	3.4
157.10091	4.1
163.11182	56.5
167.07043	3.2
171.11705	1.6
173.09625	2.3
181.12230	15.4
185.09656	1.6
189.11333	2.7
191.10658	3.2
198.10420	1.6
209.11642	3.0
221.92032	1.7
227.12740	100.0
227.17677	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1848
Annotation	(E,E)-12-Hydroxy-6,10-dimethyl-6,10-dodecadien-2-one
Peak:m/z	Relative Intensity
53.03944	2.2
55.01854	3.7
55.05502	14.4
56.96545	1.9
57.03423	3.7
57.07079	8.7
59.04972	3.5
67.05502	22.4
69.03415	3.7
69.07068	23.6
71.04656	1.6
71.04996	19.0
71.08616	1.2
79.05064	1.8
79.05492	20.6
81.03382	1.7
81.07056	83.5
83.04977	7.2
83.08617	12.7
85.02893	2.7
85.06542	43.6
91.05478	9.2
93.06480	2.4
93.07043	44.9
95.04929	5.6
95.08605	51.8
97.02859	3.2
97.06534	7.2
97.10154	2.6
98.20791	3.0
99.04446	7.5
99.08091	17.2
101.06024	15.6
101.95001	4.3
105.03400	2.5
105.07028	16.3
107.04920	2.1
107.07869	1.8
107.08592	32.4
109.06522	6.7
109.10152	38.1
111.07381	1.6
111.08080	25.3
113.09607	4.6
119.01913	1.5
119.08581	14.5
119.96051	2.6
120.05576	1.5
121.10141	41.1
123.08093	7.5
123.11708	20.2
125.05994	2.9
125.09639	11.3
127.11140	1.7
133.06461	1.3
133.10117	15.6
135.11655	4.6
137.02959	1.3
137.09589	3.6
137.13249	6.4
137.97093	4.5
139.11169	8.5
147.04337	1.3
147.08044	2.2
147.11682	12.5
149.09601	3.6
149.12158	2.1
149.13254	23.0
151.07542	3.0
151.11208	7.0
160.98668	2.3
161.13290	6.4
163.11148	2.7
163.14819	8.9
165.09096	3.2
165.12724	3.4
167.10652	3.7
169.10036	2.5
177.16382	4.6
178.99734	2.5
179.10634	2.1
179.14279	3.4
183.06436	1.2
183.11646	2.5
183.13837	3.0
189.12714	3.4
189.16391	11.9
207.06541	1.5
207.10051	1.7
207.13818	6.6
207.17445	5.7
225.09125	3.5
225.12762	2.5
225.15147	7.6
225.16760	3.5
225.18465	100.0
226.09669	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	225.1486
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.78706	2.8
55.01862	3.6
55.05513	16.0
57.03423	4.1
57.07070	7.2
61.02925	4.6
67.05506	33.4
69.03435	100.0
69.07069	19.2
69.94525	6.5
69.94941	8.1
71.04997	17.9
72.08167	9.1
79.05502	17.8
81.03419	8.9
81.07062	48.1
83.04963	13.3
83.08623	9.4
85.02914	6.5
85.06532	3.1
91.05483	18.7
93.07053	27.6
95.04980	22.8
95.08611	36.7
95.23147	2.8
97.02924	2.8
97.06525	15.5
98.21443	3.8
99.04459	20.7
105.06378	5.1
105.07037	63.1
107.04954	6.5
107.08601	29.7
109.06524	41.8
109.10182	18.1
111.04449	4.6
111.08074	7.2
117.06999	3.4
117.55225	2.6
119.08589	45.3
121.06530	13.4
121.10149	37.8
122.07270	4.3
123.04433	16.0
123.08067	28.1
123.11727	11.2
125.05972	6.5
125.09641	6.6
127.43908	2.9
129.07008	3.5
131.08557	4.8
132.05852	2.9
133.06491	18.5
133.10136	57.1
135.08020	6.3
135.11693	5.4
137.05975	8.3
137.09627	55.8
139.11169	17.3
143.08582	3.3
145.10120	12.0
147.08054	12.9
147.11700	43.6
149.09642	47.0
151.07574	18.5
151.11188	9.1
156.09355	9.8
159.08041	4.1
159.11783	5.5
161.09642	5.9
161.13281	27.8
163.11195	23.8
165.09119	6.1
165.12747	7.5
167.10663	7.4
171.11737	13.9
174.10432	12.8
177.12680	4.9
179.14351	6.6
181.12233	4.1
183.13760	6.1
189.12740	49.6
207.13818	67.6
225.09196	5.0
225.14830	32.9
233.21872	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	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
54.63197	1.2
55.05513	6.7
56.96571	7.5
57.03444	1.8
57.07074	7.1
59.04991	3.9
67.05505	6.1
69.03425	3.6
69.07066	10.2
70.86017	2.1
70.86332	2.1
71.01353	2.3
71.04993	38.6
71.58754	1.2
79.05479	6.1
81.03379	2.6
81.07043	15.7
83.04978	5.6
83.08599	8.3
85.02896	1.8
85.06558	3.7
91.05496	4.4
93.07046	7.6
95.04968	3.6
95.08602	15.5
97.06519	22.7
98.97594	4.2
99.04453	100.0
101.95068	1.6
105.03398	1.9
105.07024	10.4
107.08595	42.1
109.06519	26.6
109.10168	4.8
111.08067	3.5
111.11697	3.8
113.09650	5.5
116.98600	1.7
119.04933	1.3
119.08591	8.0
121.06512	4.0
121.10159	13.7
123.08073	20.6
123.11697	17.7
125.06007	1.9
125.09607	8.3
131.08589	3.5
133.10127	4.5
137.09595	3.4
137.13266	5.3
139.11188	5.7
141.12709	1.7
145.10170	1.8
147.08130	1.4
147.11699	11.2
149.09637	12.4
151.07550	3.5
151.11249	1.5
153.12723	1.8
161.09637	2.1
161.13217	3.2
163.11154	2.4
165.09128	1.9
165.12753	24.6
167.10683	32.2
177.00729	2.9
178.98602	1.3
179.10645	1.2
179.14290	2.6
183.13815	47.0
189.12753	5.5
191.14314	2.1
207.10091	1.3
207.13782	16.1
214.08582	5.3
225.13020	1.0
225.14803	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	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
55.05503	9.2
57.03417	2.9
57.07055	3.3
59.04991	2.3
67.05499	9.6
69.03412	4.7
69.07062	6.7
69.37662	7.6
69.38090	6.4
71.04985	9.1
79.05492	7.6
81.03431	1.6
81.07058	9.8
83.01326	3.8
83.04977	12.1
83.08611	2.2
85.02888	3.0
85.06524	4.2
91.05466	6.6
93.07050	9.3
95.04948	2.9
95.08602	28.7
97.02909	1.8
97.06512	3.5
98.21461	2.4
99.04454	2.3
99.08092	2.8
102.68879	1.4
105.07027	16.7
107.08583	13.7
109.06513	8.8
109.10156	16.1
111.08060	2.7
113.06025	1.8
113.09623	5.0
117.06960	1.7
119.08582	19.7
121.06528	1.8
121.10133	20.0
122.07294	3.4
123.08067	23.7
123.11714	7.3
125.05981	8.4
125.09637	6.1
131.08533	1.7
133.06509	1.7
133.10156	7.8
135.08052	9.2
135.11684	7.2
137.05986	4.8
137.09613	50.2
137.13237	9.5
139.07487	2.5
141.05495	1.8
141.09152	2.2
145.10097	2.3
147.08025	5.1
147.11662	10.2
149.09615	35.9
151.07550	19.7
151.11200	4.3
151.14807	3.7
153.09105	4.9
155.10663	4.8
156.09300	4.3
161.13258	19.1
163.11172	4.0
165.09109	100.0
165.12746	31.9
167.10667	30.8
169.08568	3.3
171.11670	5.4
174.10417	4.8
179.14313	15.5
181.12212	3.6
189.12729	29.1
207.13794	46.0
207.71118	1.7
214.09407	1.6
225.14821	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
50.39380	4.4
51.87774	4.2
53.03946	4.2
55.01860	13.1
55.05515	29.9
56.96567	5.6
57.03436	16.1
57.07067	18.3
57.75747	4.1
59.04996	5.6
65.03928	6.8
67.05505	50.4
69.03423	29.7
69.07056	34.8
69.38056	4.4
69.50623	9.5
69.51026	32.7
71.04996	44.6
73.02930	6.2
79.05490	33.8
81.03415	11.3
81.07055	78.4
83.04981	51.0
83.08614	23.9
85.02907	30.4
85.06554	24.8
91.05464	29.1
93.07052	45.6
95.04977	48.2
95.08604	79.1
97.02893	18.8
97.06527	25.4
98.20776	9.1
98.97567	4.8
99.04444	51.6
99.08091	10.9
101.06031	5.7
101.12308	4.4
101.60788	4.3
105.03387	14.0
105.07031	72.1
107.04969	12.2
107.08599	62.7
108.05709	5.9
109.02831	5.6
109.06533	65.5
109.10162	54.2
111.04473	11.4
111.08102	15.5
113.05999	6.4
113.09630	7.6
115.05453	5.2
116.98605	8.9
117.07031	6.2
119.05000	9.7
119.08584	73.3
119.39755	4.3
121.06524	13.5
121.10140	59.1
123.04420	8.3
123.08062	84.6
123.11724	37.3
125.06010	19.6
125.09646	21.8
127.03833	4.9
127.07550	6.3
128.06233	7.5
131.08566	10.1
133.06514	8.4
133.10124	49.8
135.08066	11.1
135.11687	18.5
137.05968	8.3
137.09608	64.4
137.13257	9.7
139.07529	4.7
139.11171	12.0
141.05540	5.5
141.06973	8.5
146.51433	5.1
147.04370	10.4
147.08038	18.0
147.11691	36.5
149.09612	72.2
151.03911	4.3
151.07501	30.8
151.11142	11.2
156.09270	6.6
161.09641	28.1
161.13248	31.2
163.11168	27.6
163.47797	4.4
165.05563	5.9
165.09102	86.6
165.12738	44.2
165.24254	4.3
167.10678	52.4
169.08656	6.6
171.11690	6.7
177.12785	5.6
179.10669	17.1
179.14310	25.9
181.12099	21.2
183.11673	5.8
183.13789	14.5
189.09102	10.0
189.12753	50.1
189.16328	7.5
194.97530	4.8
207.06541	12.2
207.10229	14.6
207.13780	86.3
207.17352	5.5
209.74686	4.3
225.05627	7.6
225.07341	5.8
225.09210	7.7
225.11214	20.5
225.14737	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03930	3.0
55.01865	4.9
55.05510	23.5
55.86835	2.6
56.70561	2.7
56.96560	10.6
57.03428	6.3
57.07061	11.2
64.09335	2.5
65.03948	3.8
67.05511	30.3
69.03422	13.5
69.07077	22.3
71.04996	29.4
71.59927	6.2
79.05495	26.8
81.03415	4.6
81.07060	54.3
83.04983	37.8
83.08604	12.7
85.02908	50.2
85.06522	10.2
86.09694	4.9
91.05481	27.4
91.51830	3.0
93.07044	39.7
95.04996	23.0
95.08600	41.5
97.02886	7.1
97.06532	18.6
97.10182	6.9
97.14896	3.0
98.97592	5.0
99.03848	3.5
99.04459	58.3
99.08092	7.4
105.03386	4.9
105.07043	48.6
107.04955	10.1
107.07858	5.2
107.08592	79.8
109.06517	48.4
109.10157	31.2
111.08073	10.8
113.05968	3.9
116.98645	5.5
117.07007	7.2
119.08587	50.8
121.06482	8.5
121.10145	49.9
123.08083	59.5
123.11701	52.2
124.07623	7.0
125.05978	12.2
125.09598	20.4
127.07547	4.0
128.06180	3.4
129.07019	3.4
131.00310	2.9
131.08531	11.5
133.06476	8.3
133.10135	28.2
135.08026	11.7
135.11690	9.5
137.05991	5.8
137.09625	23.8
137.13225	6.3
139.07555	5.8
139.11177	7.7
143.08533	8.0
145.10097	10.7
147.08057	12.3
147.11699	36.6
149.09622	100.0
149.13269	3.8
151.07550	21.9
151.11169	9.8
156.09393	4.4
158.99608	3.5
159.11681	5.4
161.02954	4.0
161.09590	12.2
161.13246	25.4
163.11157	19.0
165.09131	15.2
165.12747	20.3
167.07030	4.2
167.10689	13.1
171.11684	11.8
174.10449	4.6
177.00774	4.8
177.12834	4.6
179.10561	5.2
179.14304	14.0
181.12236	7.2
183.13759	14.6
189.09050	7.2
189.12744	51.3
189.16417	2.9
207.10213	7.6
207.13808	98.1
225.07292	3.6
225.09155	6.3
225.11096	5.8
225.14804	65.4
225.16818	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	225.1486
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
53.03942	1.9
55.01863	3.3
55.05513	7.9
57.03426	5.2
57.07077	2.6
67.05499	13.7
69.03431	7.0
69.07064	8.5
71.04995	19.1
71.12804	3.4
75.67847	1.1
79.05489	9.1
81.03418	2.4
81.07063	17.9
83.04984	32.4
83.08606	2.8
85.02908	16.3
85.06523	6.7
91.05481	12.4
93.07038	21.5
95.04970	8.8
95.08611	14.7
97.02876	3.5
97.06521	6.7
97.10197	2.9
97.42345	1.2
98.97608	1.4
99.04460	12.6
99.08112	9.4
100.11241	5.3
100.86495	1.1
101.06002	1.4
103.03979	1.1
105.03422	1.9
105.07027	24.8
107.04966	3.9
107.08591	15.9
109.06521	43.3
109.10149	21.7
111.04455	11.4
111.08096	4.8
113.05998	1.3
113.09673	1.2
113.89342	1.2
117.07096	2.4
119.04948	3.8
119.07780	2.5
119.08575	22.2
121.06517	4.1
121.09469	0.8
121.10143	42.3
123.08073	59.4
123.11702	13.5
125.06007	4.1
125.09665	7.0
127.07511	1.4
131.08563	4.8
133.06502	2.9
133.10144	12.6
135.08055	4.2
135.11693	5.8
137.05983	2.7
137.09616	29.9
139.11160	2.1
141.09103	2.5
143.08467	2.7
145.10129	6.0
147.08038	7.2
147.11691	16.9
149.09622	100.0
151.07529	7.2
151.11179	3.8
154.12256	2.5
156.09384	3.6
159.08006	1.7
159.11687	1.5
161.09637	10.9
161.13268	17.5
163.11237	9.9
165.09126	7.9
165.12727	12.0
167.10646	8.2
169.08614	3.7
171.11717	8.4
174.10435	3.8
177.12831	1.8
179.10713	2.3
179.14305	3.3
181.12172	2.5
183.13884	1.5
189.09131	2.4
189.12753	28.6
207.10150	3.9
207.13799	40.1
212.72052	1.3
225.05476	1.4
225.07387	1.6
225.09283	2.2
225.11255	3.2
225.14764	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	225.1484
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
54.60563	2.0
55.01869	4.7
55.05499	10.3
57.03430	7.0
57.07071	5.3
59.05001	5.2
61.02915	2.2
67.05503	14.2
69.03431	16.0
69.07076	10.4
69.59089	15.6
71.04994	22.5
71.08625	2.0
74.27377	2.0
78.01586	1.9
79.05485	13.5
81.03412	2.0
81.07062	20.8
83.04986	12.7
83.08612	3.7
85.02912	11.1
85.06544	3.9
87.04429	2.8
87.76826	1.9
91.05478	17.4
93.07038	27.4
95.04965	10.8
95.08609	28.5
97.02894	4.8
97.06503	9.2
98.97562	11.1
99.04457	15.8
99.08109	2.4
105.03405	1.8
105.07024	39.0
107.04943	2.6
107.08594	32.9
109.06499	18.8
109.10150	38.0
111.04423	3.0
111.08073	7.4
113.09606	2.2
116.98654	5.9
117.07008	4.0
119.04917	3.2
119.08577	41.1
119.09361	3.5
121.06538	4.9
121.10136	48.9
123.08064	40.7
123.11712	10.4
125.06007	10.3
125.09632	5.7
127.07597	2.3
128.06285	2.2
131.08592	8.5
133.06516	4.3
133.10120	21.2
135.08083	7.6
135.11641	12.8
137.05966	3.5
137.09610	42.3
137.13293	4.2
139.07521	2.2
141.09106	2.8
143.08591	4.5
145.10109	6.9
147.08017	10.5
147.11674	21.8
149.09616	100.0
151.07576	8.4
151.11209	11.0
151.14813	2.4
153.09106	2.5
155.10602	2.3
156.09358	4.0
158.99663	4.7
159.11659	2.3
161.09587	8.3
161.13255	25.7
163.11185	15.6
165.09126	10.0
165.12749	14.2
166.05022	5.4
166.87376	1.8
167.10625	10.3
171.11713	10.5
173.13266	6.2
174.10413	5.4
177.00710	5.1
177.12775	6.6
179.10667	4.0
179.14270	13.7
180.06612	2.4
181.12280	8.8
189.12753	47.8
205.08145	2.8
207.10434	3.6
207.13802	65.2
213.07710	3.1
214.08519	4.5
225.11139	3.1
225.12869	2.6
225.14807	39.0
231.77766	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
50.82132	5.6
53.03934	6.5
55.05512	35.9
57.03420	5.9
67.05226	5.7
67.05508	60.7
69.07047	19.8
70.13532	29.3
70.29911	5.3
71.04982	10.8
76.31248	5.2
79.05489	100.0
81.03381	4.9
81.07069	46.9
82.01167	4.9
83.04975	33.8
83.08623	6.7
85.02879	5.7
85.06501	8.1
91.05485	58.3
93.07043	95.0
95.04987	28.7
95.08591	21.2
97.10152	11.0
99.04488	5.6
101.95015	38.7
105.07036	50.4
107.04967	6.1
107.08632	25.3
109.06538	12.7
109.10172	7.4
117.06984	7.6
119.08589	29.0
119.96114	13.5
120.02948	4.5
121.10123	12.7
123.08076	16.3
129.06993	21.7
131.08658	5.4
133.10106	14.4
137.97104	9.7
143.08528	14.5
145.10094	12.1
147.08012	7.5
147.11690	56.7
155.98143	6.4
160.19058	5.2
160.98703	15.0
161.09575	10.3
161.13237	21.6
171.11676	34.2
178.99745	10.1
183.13988	5.9
189.12700	20.8
207.13829	34.6
225.14809	54.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1485
Annotation	Methyl jasmonate
Peak:m/z	Relative Intensity
51.76903	1.1
53.03944	3.4
55.01865	3.8
55.05260	1.8
55.05512	29.8
56.96565	4.1
57.03439	8.2
57.07067	2.9
59.05002	2.2
65.03925	2.6
67.05170	1.9
67.05507	26.2
68.43901	1.0
69.03424	8.3
69.07068	12.4
69.28288	13.3
71.04989	8.2
71.95263	1.5
74.63702	1.1
79.05489	25.3
81.03418	100.0
81.07056	30.9
83.04983	29.9
83.08138	2.4
83.08619	37.4
85.02904	4.2
85.06538	4.6
91.05480	29.2
93.07047	16.6
95.04969	40.0
95.08603	16.7
97.02900	7.4
97.06509	6.0
97.10165	7.2
99.04454	8.4
99.08111	2.3
101.95043	14.7
103.05489	1.9
105.03378	2.0
105.07033	24.3
107.04958	8.3
107.08600	12.9
107.81881	1.0
109.02889	1.2
109.06533	10.3
109.10183	5.4
111.04433	3.4
111.08086	17.7
113.05991	3.0
113.09689	1.3
115.05436	2.2
117.06984	2.3
119.04958	2.4
119.08580	27.8
119.96053	7.0
121.06496	3.1
121.10156	10.6
123.08081	8.5
123.11720	4.1
125.05974	1.9
125.09609	3.0
127.87079	1.2
128.06207	1.1
129.07005	12.9
131.08574	13.4
133.06508	4.2
133.10127	17.2
135.11688	1.9
137.09592	5.4
137.97121	14.1
139.07640	1.4
139.11247	1.3
142.07784	2.4
143.08583	2.5
145.10118	2.7
147.08023	8.8
147.11690	15.1
149.09634	10.7
151.07593	2.4
151.11214	3.4
155.98148	5.8
156.47083	1.1
157.10126	16.9
160.98715	8.5
161.09595	4.2
161.13229	2.8
163.11183	2.7
165.09116	6.3
165.12782	4.0
167.10666	3.5
169.08646	1.3
169.10114	1.5
175.11192	19.7
178.99786	7.4
179.10677	3.3
179.14310	1.4
183.13838	1.8
184.00356	2.5
189.09068	2.8
189.12762	3.7
189.16273	1.2
192.09235	1.4
193.12242	68.4
197.13315	1.8
202.01357	1.3
207.10207	4.0
207.13818	5.0
207.17554	1.2
225.07347	1.9
225.09201	2.2
225.11241	3.4
225.12912	2.9
225.14639	10.3
225.16727	1.3
225.19777	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	225.0757
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
53.03927	0.6
54.45257	0.5
55.01865	1.6
55.05500	1.4
55.17478	0.4
56.96556	1.6
57.03426	1.1
57.07054	0.6
62.95807	0.5
65.03933	1.9
67.05502	2.8
69.03415	3.0
69.07048	1.3
71.04993	2.7
71.32370	0.9
71.32694	0.5
73.02898	1.0
77.03899	1.5
79.05485	2.7
81.03414	1.0
81.07047	5.6
83.01403	0.5
83.04961	2.2
83.08596	0.8
85.02902	7.2
85.06532	1.1
89.03909	1.6
89.69064	0.4
90.04677	0.7
91.05477	36.1
93.03371	0.5
93.07063	2.4
95.04974	3.5
95.08613	3.8
97.02872	2.0
97.06509	1.8
98.97586	0.9
99.04446	4.3
103.05448	1.4
105.03360	2.3
105.07008	4.6
107.04955	1.3
107.08581	4.5
108.05694	0.9
108.45887	0.5
109.02871	0.8
109.06516	5.1
109.10152	3.6
111.08068	1.3
113.05946	0.5
116.98631	1.1
117.06979	1.0
118.04184	4.4
118.41982	0.6
118.42889	0.5
119.04936	43.7
119.08570	4.4
121.02875	1.2
121.06472	1.6
121.10126	4.4
123.04419	1.2
123.08067	4.2
123.11703	6.0
125.05952	1.1
125.09643	1.3
127.03922	0.6
128.04160	1.0
129.03366	0.4
129.27275	0.5
131.00085	0.5
131.01941	0.8
131.04967	0.6
131.08565	1.4
132.02049	3.9
133.02783	1.3
133.06470	0.7
133.10143	2.6
134.99632	0.5
135.04404	1.4
135.08026	1.5
135.11703	0.8
136.05159	1.9
137.05981	0.7
137.09595	2.5
137.13347	0.5
143.08554	1.5
145.02785	1.1
145.10103	0.9
146.03607	0.9
147.04402	39.1
147.08038	1.8
147.11638	2.5
149.02348	4.8
149.08676	0.6
149.09633	4.7
151.03893	0.7
151.07538	2.5
151.11150	1.5
155.04626	0.5
157.03999	2.9
159.11740	0.4
161.09631	3.4
161.13255	3.2
163.03874	1.0
163.11211	2.6
164.04689	3.9
165.05463	0.8
165.09100	1.5
165.12746	1.6
167.10683	1.6
169.08606	0.8
171.11659	0.8
174.03130	1.0
175.03897	65.0
177.01837	1.9
177.04294	1.1
177.12737	0.6
179.07027	4.3
179.10681	1.2
179.14285	1.1
181.08624	0.6
182.05257	0.6
183.06499	1.5
189.09013	1.3
189.12775	4.5
191.05693	2.0
192.04160	21.4
195.05399	0.6
195.13841	0.8
196.04765	0.6
203.05659	1.1
205.05322	0.8
207.06519	100.0
207.13776	7.3
208.06717	0.9
212.06195	0.8
214.05708	0.5
219.05486	0.6
225.05350	1.0
225.07243	2.2
225.11154	1.0
225.14799	6.0
234.05615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	7.4
57.91547	2.7
59.09862	2.6
65.39330	2.5
69.03428	4.1
69.59019	7.6
69.59446	9.5
73.02918	4.3
79.41883	2.1
81.03388	4.6
84.96027	5.1
85.02872	2.2
97.02905	8.0
98.20751	2.7
98.97576	7.8
101.00851	11.5
101.40310	2.2
103.54353	2.3
109.02885	2.5
116.98608	6.7
118.03465	2.2
119.01923	100.0
120.01985	3.5
134.99698	5.4
137.02960	43.9
142.03506	61.8
158.97391	2.6
160.04553	30.2
161.02979	20.7
165.05104	4.5
176.98288	5.5
177.00957	6.9
179.04018	47.0
181.00606	2.9
182.99704	2.4
183.55124	7.4
184.04759	9.4
187.99286	4.8
190.49486	4.1
193.05537	4.0
199.50099	21.7
200.00111	6.8
200.98268	4.1
201.00699	5.5
201.54311	2.4
201.56178	7.2
202.05914	14.5
210.47435	2.3
211.00897	5.1
211.50926	2.8
219.02010	5.6
220.02013	2.6
223.04880	3.0
240.06310	4.5
241.05861	4.2
242.99380	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	225.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.6
54.45257	0.5
55.01865	1.6
55.05500	1.4
55.17478	0.4
56.96556	1.6
57.03426	1.1
57.07054	0.6
62.95807	0.5
65.03933	1.9
67.05502	2.8
69.03415	3.0
69.07048	1.3
71.04993	2.7
71.32370	0.9
71.32694	0.5
73.02898	1.0
77.03899	1.5
79.05485	2.7
81.03414	1.0
81.07047	5.6
83.01403	0.5
83.04961	2.2
83.08596	0.8
85.02902	7.2
85.06532	1.1
89.03909	1.6
89.69064	0.4
90.04677	0.7
91.05477	36.1
93.03371	0.5
93.07063	2.4
95.04974	3.5
95.08613	3.8
97.02872	2.0
97.06509	1.8
98.97586	0.9
99.04446	4.3
103.05448	1.4
105.03360	2.3
105.07008	4.6
107.04955	1.3
107.08581	4.5
108.05694	0.9
108.45887	0.5
109.02871	0.8
109.06516	5.1
109.10152	3.6
111.08068	1.3
113.05946	0.5
116.98631	1.1
117.06979	1.0
118.04184	4.4
118.41982	0.6
118.42889	0.5
119.04936	43.7
119.08570	4.4
121.02875	1.2
121.06472	1.6
121.10126	4.4
123.04419	1.2
123.08067	4.2
123.11703	6.0
125.05952	1.1
125.09643	1.3
127.03922	0.6
128.04160	1.0
129.03366	0.4
129.27275	0.5
131.00085	0.5
131.01941	0.8
131.04967	0.6
131.08565	1.4
132.02049	3.9
133.02783	1.3
133.06470	0.7
133.10143	2.6
134.99632	0.5
135.04404	1.4
135.08026	1.5
135.11703	0.8
136.05159	1.9
137.05981	0.7
137.09595	2.5
137.13347	0.5
143.08554	1.5
145.02785	1.1
145.10103	0.9
146.03607	0.9
147.04402	39.1
147.08038	1.8
147.11638	2.5
149.02348	4.8
149.08676	0.6
149.09633	4.7
151.03893	0.7
151.07538	2.5
151.11150	1.5
155.04626	0.5
157.03999	2.9
159.11740	0.4
161.09631	3.4
161.13255	3.2
163.03874	1.0
163.11211	2.6
164.04689	3.9
165.05463	0.8
165.09100	1.5
165.12746	1.6
167.10683	1.6
169.08606	0.8
171.11659	0.8
174.03130	1.0
175.03897	65.0
177.01837	1.9
177.04294	1.1
177.12737	0.6
179.07027	4.3
179.10681	1.2
179.14285	1.1
181.08624	0.6
182.05257	0.6
183.06499	1.5
189.09013	1.3
189.12775	4.5
191.05693	2.0
192.04160	21.4
195.05399	0.6
195.13841	0.8
196.04765	0.6
203.05659	1.1
205.05322	0.8
207.06519	100.0
207.13776	7.3
208.06717	0.9
212.06195	0.8
214.05708	0.5
219.05486	0.6
225.05350	1.0
225.07243	2.2
225.11154	1.0
225.14799	6.0
234.05615	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.1281
Annotation	Maokonine
Peak:m/z	Relative Intensity
55.01843	1.0
55.05492	2.1
56.05035	0.9
56.96565	3.8
58.06590	2.9
59.05002	0.9
67.05492	1.0
68.05014	1.7
69.03404	1.9
69.07043	0.9
70.06580	0.7
71.04980	1.4
71.60458	1.2
71.81219	0.8
72.08138	1.0
72.42368	0.8
73.02881	1.2
79.05479	7.1
81.03413	1.1
81.07033	2.2
81.10491	0.9
82.06558	1.6
83.04970	1.9
83.06091	1.5
84.08118	0.8
84.96047	1.2
85.02888	2.1
87.22511	0.8
91.05468	8.2
93.07023	2.8
94.06573	0.8
95.04918	1.4
95.07958	0.7
95.08566	2.0
96.08910	0.8
97.02861	1.0
97.06497	1.0
97.07626	0.9
98.97540	2.1
99.04475	1.9
99.05556	0.8
102.91016	0.8
103.05457	11.0
105.07029	35.1
106.07331	1.1
107.04954	5.9
107.08595	2.1
109.06469	1.4
111.09188	1.0
116.98597	1.8
117.05735	0.9
117.06993	1.7
117.12688	0.6
118.06548	15.7
119.01857	0.8
119.04927	1.3
119.07307	1.5
119.08588	1.7
120.04374	0.8
120.08103	20.6
121.06493	2.2
121.10105	1.2
123.04427	0.7
123.05574	0.8
123.08038	0.9
124.08421	1.6
128.02264	1.0
128.06244	5.4
130.06555	1.3
131.04903	4.5
131.07266	2.9
131.08545	2.6
132.08072	2.6
133.10127	1.2
134.99594	2.0
135.08083	1.0
135.11723	1.5
136.08485	1.0
137.09630	0.9
138.05490	1.1
143.08569	3.6
146.99637	1.4
147.04428	3.9
147.11688	1.5
149.02287	0.9
149.05927	1.2
149.09605	0.9
150.02681	1.8
153.00703	0.9
158.99603	0.9
160.11211	100.0
162.05444	0.8
163.11147	1.0
164.06894	0.9
164.11574	1.8
177.00592	1.5
178.12265	88.2
179.12570	1.7
192.03778	0.9
201.00778	1.4
206.11755	14.1
207.06543	1.3
207.13885	1.4
219.01826	1.3
224.06390	1.6
224.12804	48.2
224.23695	0.9
225.04216	1.0
225.14896	1.5
226.04298	2.4
228.02472	1.2
238.96986	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	223.1328
Annotation	Heteroplexisolide E
Peak:m/z	Relative Intensity
50.54847	0.1
52.69175	0.1
53.03944	0.6
53.20468	0.2
55.01865	1.0
55.05508	4.3
56.96565	0.2
57.03429	0.3
57.07070	0.4
59.05001	0.2
65.03937	1.0
67.05503	5.0
69.03424	0.5
69.07067	3.7
71.04996	1.4
71.31886	0.4
79.05488	4.1
81.03421	3.4
81.07055	7.5
83.04964	1.9
83.08617	1.9
85.02903	2.8
85.06538	0.4
87.04465	0.3
87.08090	0.3
91.05482	3.7
92.54892	0.2
93.07045	3.5
95.04967	100.0
95.08607	4.8
96.05295	0.7
97.06500	1.1
98.97529	0.2
99.04435	0.2
99.08086	0.3
103.05422	0.3
105.07028	2.8
107.04961	1.1
107.08595	2.4
109.06516	3.2
109.10151	0.5
111.04411	0.3
111.08084	0.3
116.98613	0.2
117.07018	2.5
119.08586	3.5
121.06506	3.0
121.10145	2.0
123.08069	3.5
125.05978	0.3
125.09644	0.2
128.06212	0.4
129.07048	0.9
130.07767	0.4
131.08551	1.3
133.10109	0.8
135.08054	1.2
135.11679	2.9
137.09599	0.2
141.06963	0.4
141.09142	0.4
143.08548	0.7
145.06480	0.5
145.10117	5.6
147.06947	0.2
147.08057	4.1
149.02348	1.8
149.09544	0.4
154.07774	0.2
159.08026	0.3
159.11668	1.9
161.09650	1.2
162.03156	0.4
163.03897	0.4
163.11177	15.8
165.09134	0.3
167.05681	0.2
167.07057	0.2
169.10100	1.0
177.05537	0.2
177.09039	0.3
177.12738	1.6
177.16313	0.2
187.11169	2.1
190.02638	0.2
205.12224	2.7
205.15865	0.3
208.03624	0.3
208.12567	0.2
223.05980	1.1
223.13272	6.8
223.16539	0.9
225.04204	0.2
237.52675	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	223.1329
Annotation	Dehydrovomifoliol
Peak:m/z	Relative Intensity
53.03926	3.2
55.01870	9.3
55.05516	17.9
56.96542	2.7
57.03432	4.5
57.07064	3.4
59.04986	5.4
61.02929	3.1
65.03918	2.1
67.05511	14.2
69.03428	17.5
69.07067	11.7
70.43073	3.9
70.43466	4.9
71.01343	1.6
71.04993	23.1
73.02925	2.3
77.27271	1.6
79.05503	13.7
81.03423	8.1
81.07056	18.8
83.01306	1.7
83.04976	19.4
83.08611	3.5
84.08165	2.1
85.02908	25.0
85.06525	6.0
87.04464	1.8
87.89244	1.8
88.51301	1.9
89.06033	5.3
90.34358	1.5
91.05474	21.4
93.07043	35.4
95.04966	16.7
95.08597	17.1
97.02888	4.0
97.06532	9.9
97.10167	6.7
98.97568	7.1
99.04430	7.4
99.08116	2.0
101.06019	2.4
105.07028	32.0
106.66364	1.7
107.04945	8.4
107.08597	31.7
109.02865	2.7
109.06515	24.3
109.10146	10.2
111.04456	11.1
111.08078	10.4
113.06020	3.4
115.05422	2.9
116.98613	6.0
117.07011	10.4
119.04964	2.0
119.08574	37.1
120.08064	1.8
121.02890	2.9
121.05649	3.1
121.06505	47.9
121.10143	21.1
122.07270	2.8
123.04437	4.9
123.08065	41.1
123.11665	2.7
125.06003	5.8
125.09624	8.3
129.05440	1.7
129.07007	3.3
130.07747	3.5
131.08565	13.7
133.06477	2.8
133.10115	16.9
135.04443	2.2
135.08047	28.1
135.09023	3.2
135.11700	14.4
137.05974	3.9
137.09618	18.2
139.07520	7.2
139.11275	2.4
143.08556	4.2
144.09312	4.3
145.06429	2.4
145.10107	21.9
147.08049	15.2
147.11693	5.5
149.02365	12.5
149.05975	5.2
149.09624	41.3
149.13251	6.5
151.07544	3.5
151.11162	5.7
153.05414	1.6
153.09094	14.7
157.10078	2.4
158.99597	2.2
159.08087	5.5
159.11684	30.6
161.09613	12.8
162.03116	1.9
163.03885	4.3
163.07539	5.8
163.11194	33.3
165.09103	56.8
167.07037	6.4
169.10097	2.0
172.08829	2.5
175.11150	7.8
177.00761	5.3
177.09027	3.4
177.12752	36.9
179.03578	1.9
179.10664	11.1
181.12263	4.1
187.11180	12.3
190.02522	3.2
193.12221	3.7
195.13802	5.7
204.67831	1.9
205.08592	2.5
205.12241	50.3
205.14160	2.6
223.05989	13.7
223.09303	4.6
223.13289	100.0
224.13579	2.6
225.04263	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	223.1329
Annotation	2-Hydroxyibuprofen
Peak:m/z	Relative Intensity
53.03936	3.4
53.83061	1.7
54.11298	1.7
55.01869	12.5
55.05259	2.0
55.05509	22.7
56.96563	13.6
57.03433	3.6
57.07070	4.8
57.77975	1.8
59.04981	5.9
61.02911	2.4
65.03911	3.8
65.39684	1.9
67.05507	21.0
69.03429	20.6
69.07066	16.4
71.04996	18.2
71.59777	2.5
73.02920	4.1
77.03885	1.7
77.25858	1.7
78.04675	2.1
79.05490	28.4
81.03425	9.4
81.07059	33.3
81.25193	1.8
82.15189	1.7
83.04978	23.5
83.08627	9.3
85.02910	12.6
85.06522	3.0
91.04958	2.8
91.05474	30.8
93.07042	34.0
95.04966	18.1
95.08605	22.3
97.02897	18.3
97.06519	13.2
97.10166	2.6
98.97586	35.7
99.04482	13.5
101.02390	3.6
103.05442	2.8
105.07031	46.2
106.26051	1.8
107.04965	16.9
107.08597	68.1
109.02856	5.5
109.06514	24.3
109.10181	13.2
111.04442	25.2
111.08080	10.1
113.05979	5.3
115.05463	2.5
116.98627	25.4
117.07051	13.7
119.01805	2.6
119.08583	54.2
120.08080	6.7
121.02856	2.3
121.06496	18.0
121.10149	27.7
123.04403	3.0
123.08067	28.4
123.11708	9.0
125.05988	11.7
125.09630	15.8
127.03925	4.7
127.07581	2.1
128.02307	6.4
128.98624	2.6
129.06985	5.6
130.07782	2.8
131.04839	2.3
131.08562	19.4
133.06529	3.3
133.10135	13.6
134.03809	1.9
134.99689	16.0
135.04407	7.2
135.08054	24.3
135.11687	16.1
137.02888	3.1
137.05977	5.1
137.09613	16.0
139.07532	7.5
139.52988	2.1
141.05478	4.6
141.06898	1.7
143.08615	3.2
144.09358	3.4
145.06473	3.9
145.10130	33.5
146.99661	2.7
147.08054	22.4
147.11684	12.1
149.02344	23.8
149.05959	6.5
149.09608	14.3
149.13298	9.3
151.07594	2.6
151.11176	4.4
153.09099	23.3
157.10146	4.7
158.99649	14.7
159.08026	6.7
159.11684	35.1
161.01192	2.9
161.09612	9.2
161.13301	2.9
162.03136	6.2
163.03903	7.3
163.07510	6.1
163.11169	35.8
163.14958	2.0
165.09131	54.2
166.08606	2.2
167.07043	9.2
169.10138	5.2
175.11191	13.8
177.00684	21.0
177.05458	6.4
177.09088	9.6
177.12758	32.0
177.14272	3.7
179.03429	2.0
181.08130	2.2
181.12231	6.1
187.11177	15.8
189.05913	2.6
190.02560	4.8
191.03412	4.7
191.14397	4.9
193.12262	7.3
195.01714	3.1
195.06015	5.2
195.13797	6.0
200.02368	4.1
203.07487	4.0
205.08362	3.6
205.12227	45.5
208.03622	4.5
212.08203	2.6
214.08513	3.7
219.01781	3.4
223.05954	35.9
223.09358	11.2
223.13289	100.0
223.16905	8.8
223.20514	2.0
223.59300	2.5
224.06656	3.2
224.09892	3.3
225.04265	8.9
227.02213	2.5
227.05936	2.7
233.10568	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	223.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	3.8
56.96553	7.1
57.03434	2.1
57.07069	4.5
59.04939	1.5
60.04524	3.4
67.05492	4.7
68.29039	1.6
68.95993	1.6
69.03431	5.5
69.07050	3.9
70.06581	4.2
70.73292	4.9
71.04993	3.5
72.08145	2.2
73.02915	4.3
74.02439	14.8
79.05493	5.3
81.03407	6.3
81.07059	7.9
83.04984	5.6
83.08594	2.8
84.04485	1.7
84.08134	6.4
85.02918	10.0
86.09691	4.0
87.05518	1.5
88.03986	4.5
90.29162	1.5
91.05481	7.3
93.07038	10.8
95.04972	7.4
95.08604	6.7
97.02875	4.7
97.06521	4.5
98.97551	2.8
99.04456	2.5
105.07006	12.5
106.06556	2.2
107.04952	4.6
107.08572	8.8
108.08048	1.7
109.02887	3.9
109.06509	3.8
109.10165	2.9
111.04477	2.0
111.08038	3.8
115.05454	9.9
116.98609	4.3
117.05748	2.1
117.06998	2.6
118.06544	34.2
119.04916	2.7
119.07330	16.1
119.08595	5.5
120.08108	4.0
121.02832	3.9
121.06516	8.7
121.10137	6.1
122.06012	1.6
123.08068	4.8
125.06058	1.9
125.09639	1.8
126.99815	1.8
127.03970	2.3
129.10254	4.0
131.08582	3.5
132.08089	33.6
133.06479	2.2
133.10172	2.2
134.06020	1.8
134.99670	2.8
135.04387	1.9
135.08083	3.2
135.11679	6.7
136.07553	4.4
137.05974	3.2
137.09674	1.7
139.07518	3.3
142.06517	6.0
143.52655	1.6
145.10150	3.7
146.06021	2.8
147.08000	2.9
149.01183	2.0
149.02347	30.3
149.05983	6.4
149.09605	3.9
150.09142	2.2
158.99782	2.0
159.09181	100.0
159.11552	3.8
160.07558	16.5
162.01900	1.6
162.03102	4.8
162.09148	2.3
163.03931	5.0
163.07487	2.7
163.08704	2.9
163.11176	7.4
164.07005	3.2
165.09093	3.5
167.07037	4.8
177.00699	7.1
177.05498	5.3
177.10260	38.8
177.12709	4.0
178.08649	8.1
190.02635	6.0
205.09766	5.7
205.12270	9.3
206.08141	9.0
207.03122	2.0
208.03706	2.5
223.02428	5.6
223.05922	20.7
223.10869	15.7
223.13321	16.1
223.16914	7.1
225.04305	25.6
227.02351	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	222.1159
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95612	0.4
52.16420	0.5
53.03936	1.6
55.05509	56.4
56.96577	2.7
57.03431	0.6
57.07090	0.7
58.99573	2.2
59.06106	0.5
59.25583	0.6
61.02937	0.6
61.91853	0.5
65.03938	0.5
67.05494	1.1
69.03423	1.7
69.07072	0.7
70.06583	1.9
70.87026	0.7
70.87356	1.2
71.04985	0.7
72.08156	0.9
73.02911	0.8
74.06097	0.6
76.02234	2.2
79.05486	1.3
81.07053	2.1
83.06107	1.1
83.08614	100.0
84.04471	0.5
85.02901	2.1
85.07623	0.5
86.99048	4.3
88.03998	0.8
88.06283	0.5
91.05486	2.7
93.07030	2.6
95.04937	0.8
95.06082	0.6
95.08582	1.5
97.02890	1.6
97.06503	0.6
98.97573	6.3
100.15630	0.6
101.09657	17.5
101.10335	0.9
103.05502	1.2
105.00079	7.9
105.07040	1.8
107.04965	0.7
107.08601	1.3
109.06515	0.6
109.07637	0.8
109.10179	0.5
110.06036	0.7
115.49368	0.5
116.07096	1.0
116.98612	6.2
118.06514	1.6
119.01905	0.9
119.08580	1.0
120.08103	7.0
121.06525	0.8
121.10140	1.5
122.02718	1.4
123.08080	0.9
128.02348	0.8
129.10252	0.5
130.06520	60.7
131.04939	1.0
132.04448	10.9
134.99661	4.2
136.07616	0.7
136.08661	0.6
146.05986	0.6
146.99712	0.8
147.11719	1.1
148.03973	0.7
148.07573	18.8
149.02374	1.5
153.00711	0.8
158.05994	20.5
158.99689	1.6
159.06351	0.6
159.08395	1.1
161.01250	0.6
162.03477	0.6
162.05499	1.3
163.07460	0.5
164.08203	0.7
165.09096	0.7
176.03603	1.5
176.07062	69.3
177.00705	3.6
177.07437	1.1
178.09514	0.9
194.04471	3.1
201.07826	0.9
201.58183	0.6
202.04854	0.6
202.06740	1.1
204.06529	1.1
205.08955	23.2
222.04091	4.4
222.07614	6.9
222.11539	4.0
222.13434	1.1
222.15582	0.6
223.06087	0.8
223.13309	1.5
225.04214	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	222.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06397	0.7
55.01877	2.4
55.05512	2.9
56.05035	3.2
56.05847	0.7
56.96566	19.1
57.03445	2.1
57.07073	1.5
60.04525	100.0
60.95861	1.2
61.02927	4.7
67.05504	5.7
68.05045	0.9
69.03427	4.1
69.07076	1.6
70.06594	8.3
71.04993	4.9
71.57431	1.3
72.04520	1.2
72.08153	1.4
73.02913	4.7
74.06084	1.8
74.97609	1.4
79.05502	4.3
79.68495	0.7
80.05012	2.4
81.03406	3.9
81.07059	6.6
82.06585	6.2
83.04993	2.4
83.08620	0.8
84.04500	1.8
84.08150	2.1
84.96015	1.9
85.02888	5.0
85.06560	1.7
86.06062	2.1
86.09707	2.5
88.04002	1.1
91.05471	4.3
93.07061	3.3
94.06570	5.2
95.01313	0.9
95.04961	5.9
95.08605	1.4
96.01622	1.7
96.08126	1.9
97.02895	4.8
97.06539	1.4
98.06042	0.7
98.97570	11.3
98.98096	0.9
99.04462	3.5
100.02538	0.9
100.07645	1.5
101.06028	2.1
103.03963	0.9
103.05473	1.9
105.07041	1.8
106.07308	1.1
107.04973	1.5
107.08672	0.7
108.08148	3.8
109.02916	2.2
109.06507	4.7
109.07695	1.1
110.01291	0.9
110.06052	3.1
110.09765	0.8
110.10526	1.3
110.97596	1.1
111.04468	1.8
111.08102	1.4
112.07601	1.4
112.48295	0.7
113.02495	0.8
113.06023	2.3
114.09175	1.7
115.03948	1.5
116.07083	6.7
116.98620	13.5
118.03559	0.9
119.01908	2.1
119.04981	0.9
120.97924	1.6
121.06521	0.9
121.95815	1.1
123.04462	2.7
124.07619	3.1
125.07191	1.0
126.09165	1.3
127.03951	2.8
127.07093	2.3
128.02348	2.7
128.98651	3.2
129.05438	1.1
129.10274	0.8
130.05753	0.9
131.00203	1.3
131.01875	4.2
131.04974	3.1
131.07031	1.4
132.52313	0.8
134.99652	12.7
135.04440	0.9
136.07603	6.4
137.02916	1.4
137.05974	12.2
137.98431	0.8
138.05484	1.2
138.98941	1.6
139.07533	0.8
140.07109	2.2
145.04993	0.9
146.02292	0.7
146.99660	4.5
147.03250	0.9
147.04396	0.9
149.01239	1.6
149.02408	3.3
149.03120	0.7
149.05991	0.9
150.00764	1.4
150.98930	0.9
153.00758	2.5
154.03484	3.6
154.08635	7.4
155.04782	0.7
155.07082	2.5
156.04967	1.1
156.10179	3.6
156.97519	1.8
158.01271	4.3
158.99730	2.8
160.09714	5.7
161.01245	2.1
161.51401	0.9
163.02747	1.0
163.07607	3.0
165.00749	1.6
165.05586	1.0
168.98019	0.9
169.02591	1.1
169.08641	1.2
171.09152	0.7
172.04620	2.6
172.09697	10.4
173.01295	0.9
174.03600	1.0
174.98592	2.8
175.02840	1.2
176.02283	1.7
177.00764	9.9
177.02457	3.0
182.03043	1.4
183.02269	1.0
186.11243	6.1
186.99164	1.3
189.00752	1.5
190.02745	1.1
190.10762	6.3
191.05763	1.4
191.08659	1.2
192.02954	0.9
195.01839	1.8
195.03445	1.5
200.04074	8.5
201.00734	0.9
201.04179	1.6
201.54094	1.1
204.10475	0.6
204.12294	15.0
204.13986	1.1
210.54378	0.8
217.00093	6.2
217.03830	1.3
217.07266	1.3
218.05244	2.8
219.01848	1.4
222.05818	0.9
222.07716	2.2
222.11343	7.5
222.13443	26.1
222.15546	1.5
223.02238	1.0
223.06039	2.9
223.11133	1.7
223.13406	1.7
225.04257	4.2
227.02330	1.1
230.03409	0.9
235.01324	2.4
237.02985	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	222.0762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	0.5
55.05510	1.1
56.96568	1.5
57.03428	0.5
57.07072	0.6
59.06137	0.6
60.04541	0.4
67.05500	0.6
69.03436	1.6
69.07074	0.7
70.00655	1.2
70.01066	0.9
70.06597	5.3
71.04996	0.8
73.02911	0.5
74.06062	0.5
78.96282	0.5
79.05499	1.2
81.03434	0.9
81.07059	1.2
81.89487	0.4
82.06587	0.5
83.04984	0.7
84.08154	0.9
85.02908	1.2
86.09711	0.8
91.05498	1.8
93.07056	1.2
95.04953	0.8
95.08604	1.2
97.02902	1.6
98.97592	3.2
103.05473	1.0
105.07030	1.1
106.06584	1.6
107.04995	0.5
107.08589	1.0
109.06529	0.5
109.10139	0.6
115.05444	0.7
116.07089	2.8
116.98624	4.1
117.06993	1.0
118.06546	1.0
119.07350	1.3
119.08584	1.0
120.08117	11.1
120.08932	1.0
121.06514	0.9
122.07048	0.4
123.08094	0.8
127.07118	0.8
130.06532	98.1
131.04951	0.5
131.06886	1.5
132.04459	18.0
132.08011	0.4
134.06023	1.8
134.41634	0.5
134.99678	2.5
135.11688	0.7
138.09236	0.5
145.04970	0.5
145.06479	0.8
146.05988	0.5
146.99686	0.8
147.04422	0.6
147.09181	0.5
148.07574	28.8
149.05942	0.4
149.09610	0.5
158.06018	31.2
158.99660	1.3
159.06523	0.7
162.05484	3.1
163.03947	0.9
165.09149	0.7
167.07182	0.4
173.06053	0.6
176.07079	100.0
177.00699	2.8
177.05437	0.6
177.07410	1.4
178.09538	2.9
180.06561	0.5
180.10048	0.5
186.07413	0.5
192.07133	0.7
204.06566	3.3
204.10443	0.5
205.08783	0.5
205.12250	0.5
222.04318	0.5
222.07648	11.8
222.11229	4.2
222.15172	1.0
223.05992	1.1
223.13231	0.6
225.04210	0.4
233.45557	0.4
236.10683	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03949	2.9
55.01865	2.4
55.05511	18.3
56.96563	11.0
57.07085	9.9
65.03933	1.9
65.98831	1.7
67.05508	23.2
69.03423	2.6
69.07068	16.8
69.33443	22.5
71.04996	21.4
73.06547	3.1
79.05492	24.6
80.43684	2.0
81.03420	2.2
81.07060	100.0
83.04979	3.3
83.08616	6.7
85.02897	3.4
85.06545	5.6
85.89367	1.8
91.05476	17.8
93.07054	52.2
95.04963	7.2
95.08047	3.5
95.08611	45.4
96.04153	1.8
97.06501	4.5
97.10168	3.2
98.97584	5.5
99.04433	2.1
99.08098	3.8
104.10711	2.7
105.07039	41.9
107.04940	2.7
107.07866	3.7
107.08601	75.0
109.06510	9.1
109.09444	4.0
109.10155	43.5
111.08070	3.5
111.11719	3.5
113.09654	2.4
116.98623	8.6
117.07008	2.8
119.08581	76.1
121.02815	2.2
121.06498	5.9
121.10149	21.0
123.08068	5.6
123.11716	20.4
125.09621	2.3
127.11209	9.6
129.06995	4.3
131.08568	6.0
133.10136	35.3
134.99660	11.8
135.08055	3.1
135.11699	95.7
137.05972	7.1
137.09628	6.9
137.13258	3.4
143.08574	2.0
145.10112	6.0
147.08070	8.1
147.11700	35.4
148.12177	1.9
149.02318	18.4
149.13283	9.5
151.11214	4.7
153.00729	2.3
157.10153	4.5
158.01231	6.0
159.11694	3.0
161.09619	7.5
161.13287	21.2
163.11179	5.3
163.14822	2.9
165.09155	3.0
165.12724	3.1
175.02809	4.6
175.07532	2.3
175.11259	6.0
175.14824	16.4
177.12756	9.3
177.16376	4.4
179.10774	2.3
185.13281	4.7
193.03799	3.6
193.15900	5.3
203.10704	3.3
203.14391	9.6
203.17973	49.4
204.56708	2.0
206.16371	2.8
221.04381	3.3
221.08034	4.5
221.11729	7.2
221.15416	35.0
221.19023	62.3
230.94009	2.0
230.96281	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	222.076
Annotation	Hyrtioerectine C
Peak:m/z	Relative Intensity
55.01888	0.5
55.05507	0.9
56.96557	2.6
57.03434	0.6
61.02906	0.9
67.05502	1.0
69.03417	1.4
69.07068	0.8
70.06591	5.3
70.83971	1.4
73.02924	0.9
79.05485	1.5
81.03409	0.7
81.07055	1.6
83.05009	1.0
85.02917	2.1
86.09716	0.8
91.05485	1.2
93.07021	1.8
95.04981	0.9
95.08601	1.3
97.02893	2.2
97.06598	0.5
98.97575	5.6
103.05483	0.5
105.07031	1.3
106.06541	1.6
106.07271	0.7
107.08572	1.2
107.84636	0.5
109.06508	1.0
109.10201	0.5
115.02783	0.5
116.07101	3.1
116.98620	3.9
118.06542	0.7
119.07336	1.3
119.08587	1.0
120.08101	10.4
121.06503	0.5
123.08046	0.8
127.07058	1.6
128.98628	0.9
130.06522	93.6
131.06837	0.5
132.04451	15.8
134.06000	1.3
134.10553	0.7
134.99652	2.8
137.09583	0.6
146.06013	0.7
146.21353	0.5
146.99652	1.1
147.07939	0.6
148.07562	28.5
158.01379	0.6
158.06009	32.5
158.99644	1.8
162.05519	0.7
165.09103	0.7
176.07062	100.0
177.00702	3.6
177.07500	1.1
177.09059	1.2
178.09404	3.3
189.00705	0.6
189.56163	0.9
201.07057	0.6
204.06596	1.9
207.13774	1.2
213.07840	0.6
222.07608	12.1
222.11179	1.0
222.15315	0.9
222.58324	0.7
231.08809	0.7
236.10664	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03936	2.1
55.01864	1.7
55.05507	14.1
56.96568	10.6
57.07065	6.3
67.05503	22.1
68.04133	1.5
69.03427	3.3
69.07066	28.8
71.04986	5.9
79.05483	11.3
81.03405	2.0
81.07059	45.2
82.99892	1.5
83.04985	4.2
83.08620	11.8
85.06550	4.1
91.05496	13.0
93.07043	27.1
95.04967	6.4
95.08608	52.1
97.06528	3.5
97.10175	5.2
98.20773	3.6
98.97562	10.5
105.07027	38.8
107.04955	2.7
107.08595	42.7
109.02953	1.9
109.06523	13.0
109.10152	34.7
111.04441	1.8
111.08078	6.3
116.98619	12.2
117.89600	1.6
119.08576	33.5
121.06475	2.7
121.10127	23.5
123.08054	5.1
123.11718	9.8
125.09628	14.5
129.07018	2.2
131.08592	2.6
131.89499	1.5
133.06493	1.7
133.10139	21.8
134.99655	19.5
135.11693	9.4
137.05959	9.6
137.09634	4.7
139.07552	1.8
139.11177	4.6
140.00111	2.3
145.10141	4.8
147.08047	4.2
147.11696	34.9
149.02296	2.0
149.09621	2.3
149.13300	3.7
151.07549	4.0
151.11186	5.9
153.00694	4.9
157.10168	2.8
158.01234	7.6
159.11642	3.4
161.09721	3.0
161.13240	28.5
163.00432	1.8
163.14845	9.9
165.09106	3.9
165.12743	6.9
175.02834	4.3
175.11163	4.1
175.14821	19.2
177.16341	7.8
179.10680	2.8
184.26871	1.6
185.13261	3.1
193.03845	3.1
193.15855	4.4
199.06503	1.8
203.10611	3.1
203.14380	9.6
203.17957	100.0
217.07591	3.7
221.04385	4.8
221.07967	2.9
221.11754	6.3
221.13400	3.4
221.15413	27.3
221.19006	64.6
222.11244	3.9
229.25052	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.31818	0.9
53.03922	1.7
53.36740	1.2
55.05510	10.2
56.96562	1.4
57.07061	3.8
62.41110	0.9
67.05507	9.6
68.86234	0.9
69.07063	11.0
70.85696	2.6
70.86265	1.0
71.04989	18.8
79.05496	17.3
81.07054	71.3
81.69291	0.9
83.04974	2.5
83.08604	4.7
85.06529	1.8
91.05481	8.3
93.06472	1.9
93.07042	34.6
94.07357	1.1
95.04964	2.1
95.08601	23.3
95.73251	1.0
97.06536	2.6
97.10167	3.2
98.97574	1.3
99.08086	3.9
105.07030	26.9
107.04888	1.2
107.08591	59.3
109.06489	3.0
109.09457	1.8
109.10152	22.3
111.08053	1.6
113.09681	1.9
118.06530	1.9
119.06832	3.0
119.08581	45.0
121.06480	1.1
121.10136	11.5
123.08038	2.7
123.11710	16.3
125.09612	2.3
127.11176	7.1
131.08626	1.0
133.06506	1.5
133.10118	26.2
135.11690	100.0
136.12062	1.0
137.09602	4.3
137.13243	1.5
139.11166	1.1
145.10123	3.2
147.08049	2.9
147.11691	20.0
149.02332	3.8
149.13248	6.2
151.11157	1.1
153.12761	1.1
159.11713	1.7
160.12515	1.4
161.09566	1.3
161.13251	13.0
162.09058	1.2
163.09483	3.4
163.14777	3.5
175.14844	5.3
176.14346	3.1
177.11136	1.5
177.14699	13.7
177.16173	1.7
185.13289	1.2
191.12561	1.6
196.80672	1.0
203.10751	1.2
203.14372	2.1
203.16061	1.8
203.17950	37.5
221.11650	1.6
221.15410	6.3
221.17274	67.6
221.19051	30.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1901
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03948	2.3
55.05516	14.7
56.96555	7.2
57.02369	2.0
57.03430	2.0
57.07059	9.0
59.04990	2.4
65.03942	1.9
67.05508	24.0
69.03430	4.3
69.07072	17.8
71.05003	16.6
71.11875	3.8
79.05494	24.2
81.03388	2.8
81.07059	100.0
83.04977	6.1
83.08612	5.7
85.06539	3.8
91.05495	18.2
92.46632	2.1
93.07046	44.0
94.31824	2.2
95.04951	9.3
95.08616	42.4
97.06533	8.6
97.10171	3.3
98.97582	5.0
99.08079	4.5
105.07034	43.4
107.04930	2.5
107.08599	63.2
109.06513	8.0
109.10155	36.9
111.08042	2.8
116.98608	7.5
117.07011	4.5
119.08588	65.2
121.06443	2.8
121.10160	20.4
123.08083	3.5
123.11720	19.9
125.09637	4.9
127.11199	9.6
128.06192	2.7
131.08546	3.7
133.10133	30.3
134.99664	8.2
135.08020	5.9
135.10683	5.0
135.11693	88.1
137.05984	3.7
137.09604	6.0
137.13248	3.9
143.08559	3.7
145.10124	7.0
147.08034	3.4
147.11696	34.6
149.02299	3.9
149.13248	10.3
151.11191	4.7
157.10141	4.7
158.01262	3.0
159.11725	3.7
161.09625	8.3
161.13271	26.2
163.11156	3.7
163.14857	6.9
165.09103	4.6
165.12704	2.4
175.02702	3.0
175.11128	6.4
175.14836	11.4
179.10625	2.7
185.13196	4.7
203.06938	2.9
203.10652	6.9
203.14336	9.2
203.17960	45.4
204.06374	2.5
221.04335	2.9
221.08029	3.1
221.11700	8.0
221.13461	4.3
221.15501	22.4
221.19035	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03932	1.5
54.43525	0.7
55.05509	6.5
56.96559	1.3
57.07059	2.5
57.54999	0.8
58.46806	0.9
67.05507	8.6
69.07067	9.0
69.35746	6.9
69.36150	1.2
71.04992	15.8
75.42388	0.8
76.42023	0.8
79.05494	20.5
81.07056	67.9
83.04997	1.0
83.08611	3.7
87.08147	0.9
91.05478	10.8
93.07041	29.9
95.04963	2.7
95.08051	1.5
95.08613	20.7
97.06490	1.3
97.10152	1.4
98.97581	2.1
99.08085	4.3
105.07034	19.9
107.08595	55.9
109.06517	2.4
109.10155	15.1
111.08080	1.2
113.09634	1.0
116.98621	1.3
117.07018	1.7
119.08577	37.5
121.10148	8.7
123.08093	1.8
123.11703	14.6
125.09619	1.5
127.11189	5.6
131.08617	1.2
133.10133	20.8
134.29413	0.8
134.99648	1.3
135.11688	100.0
136.12010	1.2
137.05937	1.0
137.09596	2.0
137.13251	1.6
145.10115	2.7
147.08064	1.2
147.11691	17.9
147.96786	0.7
149.13281	5.2
151.11200	1.9
151.14725	0.9
157.10107	1.0
158.01378	0.8
159.11713	0.9
161.13268	10.6
163.14821	3.3
165.12798	1.3
175.11150	1.1
175.14841	2.8
177.16356	1.6
179.10568	1.0
203.14255	0.9
203.17961	28.8
221.04381	1.6
221.07988	0.9
221.11691	1.4
221.15674	4.3
221.19011	28.2
242.14420	0.8
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
53.00285	0.6
53.03936	2.1
55.01880	0.4
55.05510	7.6
56.96572	2.3
57.03428	0.4
57.07075	3.5
57.43815	0.4
59.04986	1.0
61.82441	0.5
65.03930	1.1
67.05508	7.8
69.03409	0.7
69.06718	0.7
69.07072	9.3
69.97644	1.1
69.98074	1.5
71.04996	13.5
73.06579	0.7
77.03901	0.5
79.05496	18.6
81.03432	0.7
81.07063	74.6
82.07395	0.6
83.04980	3.1
83.08618	3.9
85.06540	1.4
91.05478	10.3
93.07049	31.0
95.04978	3.6
95.08614	24.3
95.09232	1.0
95.33161	0.4
97.02903	0.5
97.06518	1.8
97.10172	2.1
98.20826	0.7
98.97580	1.4
99.08104	4.6
105.07041	23.6
106.07386	0.6
107.04962	0.8
107.08600	58.6
109.06541	3.1
109.10165	19.9
109.10926	1.0
111.08111	2.5
111.11743	1.0
113.09627	1.0
115.05527	0.5
116.98645	2.2
117.06980	2.0
119.08589	39.8
120.09358	0.6
121.06515	1.7
121.10149	8.1
123.08046	2.5
123.11718	16.0
125.09622	1.5
127.11214	7.2
129.07019	0.6
131.08575	1.7
133.06516	1.0
133.10138	23.8
134.99693	2.3
135.08061	1.1
135.11700	100.0
136.12064	0.9
137.05994	1.2
137.09619	3.1
137.13232	2.3
139.11281	1.0
141.11516	0.8
142.07739	0.8
143.08603	0.6
145.10139	2.6
147.04378	0.6
147.08084	0.9
147.11690	20.8
149.13271	4.7
151.03870	0.7
151.07558	0.6
151.11180	2.4
151.85434	0.4
153.00714	0.7
153.12814	0.5
157.10121	1.0
158.01245	1.2
159.11710	1.5
160.12506	1.2
161.03004	0.5
161.06035	0.7
161.09637	1.7
161.13274	14.4
163.11168	0.5
163.14838	3.0
165.05487	0.6
165.09103	1.2
165.12758	1.8
170.15407	0.6
173.13345	0.4
175.02794	1.6
175.07545	0.9
175.11214	2.1
175.14839	4.1
177.00688	0.9
177.09050	0.6
177.12807	0.7
177.16383	1.8
179.03375	0.4
179.10706	0.9
179.14243	0.4
181.69135	0.4
185.13246	1.2
193.15887	0.8
194.08427	0.4
198.14888	0.6
203.03279	0.4
203.10678	1.6
203.14365	2.3
203.17969	32.0
206.16269	1.2
207.96184	0.5
221.04404	2.0
221.07997	1.0
221.11757	1.9
221.15656	7.4
221.19032	30.5
225.10011	0.5
231.60623	0.4
239.78558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Helianthol A
Peak:m/z	Relative Intensity
53.03943	2.1
55.05265	1.0
55.05511	15.5
56.96549	1.2
56.98130	0.8
57.03415	1.1
57.07078	4.2
59.04988	1.1
60.21094	0.6
64.10030	0.7
65.03922	1.8
67.05504	10.2
69.03414	1.1
69.07070	10.1
69.76415	4.3
71.04998	15.1
73.06554	1.3
79.05058	1.2
79.05492	16.9
80.33064	0.8
81.07058	70.7
83.04978	2.0
83.08621	5.3
85.06530	1.8
91.05472	11.4
93.07043	33.3
95.04970	2.5
95.08607	22.0
97.02863	1.1
97.06520	2.0
97.10180	1.3
98.97560	1.2
99.08089	4.5
100.75380	0.8
105.07027	23.9
107.04941	0.9
107.08595	56.6
109.06518	3.4
109.10151	19.1
111.08073	1.2
113.09647	2.5
116.98625	1.4
117.07047	1.9
119.01868	1.9
119.08581	40.9
121.02881	2.4
121.06466	0.9
121.10149	7.6
123.08089	2.0
123.11710	15.6
125.09593	1.4
127.11177	7.9
131.08568	1.4
133.10135	24.1
134.99649	1.2
135.11691	100.0
137.09610	2.4
137.13249	2.8
139.11214	1.0
143.01869	1.1
145.10109	2.7
147.08018	1.6
147.11688	18.8
149.02338	44.1
149.13240	5.9
150.02655	1.2
151.11179	1.7
157.10156	1.4
159.11696	2.4
159.70004	0.8
161.02960	2.4
161.09561	1.6
161.13271	14.0
163.07428	0.8
163.14813	2.9
165.12811	1.4
167.03357	1.0
175.02750	1.1
175.11205	2.1
175.14851	3.6
177.00708	1.0
177.16382	1.0
185.13277	1.0
193.15900	1.0
203.10562	1.2
203.14323	2.6
203.17957	31.5
204.46239	1.1
221.08014	2.4
221.11644	1.4
221.15387	4.2
221.19035	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	221.1536
Annotation	(1S-cis)-4-[2,2-Dimethyl-3-(4-methyl-3-furanyl)cyclopropyl]-2-butanone
Peak:m/z	Relative Intensity
53.03941	2.1
55.01862	3.4
55.05514	11.5
56.96559	5.2
57.03422	1.7
57.07063	3.8
59.04986	1.2
67.05505	18.8
69.03426	6.1
69.06721	1.4
69.07071	17.7
70.06602	1.0
71.04987	4.0
79.05494	11.7
81.03430	1.8
81.07059	26.1
83.01345	12.0
83.04981	14.8
83.08612	3.7
85.02892	1.5
85.06535	2.3
87.04481	1.0
91.05477	16.0
93.07047	23.3
95.04969	47.6
95.08609	27.4
95.09086	0.5
95.09219	0.8
95.71413	0.8
97.02892	1.7
97.06541	8.3
97.10173	2.1
98.97577	3.4
99.04442	3.3
103.05474	1.0
105.07031	32.2
107.04950	4.5
107.08600	22.3
109.02892	1.1
109.06527	15.2
109.10158	19.3
111.04443	1.9
111.08083	6.5
111.11707	2.4
113.06003	1.5
115.05479	2.6
115.34737	1.0
116.06241	1.0
116.98639	3.3
117.07028	5.3
119.04925	1.9
119.08583	31.6
121.06521	6.3
121.10149	31.0
122.07230	1.5
123.04475	1.0
123.08074	25.3
123.11709	3.6
125.05951	1.2
125.09644	3.2
127.03893	2.1
128.06218	2.4
128.98587	1.1
129.07022	8.1
130.07805	1.7
130.21184	0.8
131.04912	1.2
131.08577	18.7
133.06514	6.5
133.09114	1.1
133.10133	23.3
134.99658	4.7
135.08078	6.5
135.11705	8.5
137.06003	4.1
137.09616	20.7
137.13228	1.3
138.10390	1.6
139.07544	1.5
139.11185	15.2
141.06995	0.8
142.07780	12.5
143.08554	6.4
144.09370	7.0
145.06482	2.2
145.10123	10.7
146.10904	6.2
147.04416	1.4
147.08052	8.6
147.11707	17.6
149.02338	4.6
149.09648	4.5
149.13336	1.1
151.07526	2.9
151.11195	2.2
153.00644	1.8
153.09119	1.4
156.95261	0.9
157.10133	17.9
158.01256	1.9
158.06029	1.8
159.08040	1.4
159.11705	13.3
160.08827	2.2
161.06001	2.6
161.09599	10.7
161.13251	11.7
163.07533	1.5
163.11186	12.8
163.14766	1.0
165.09123	72.8
166.09505	1.2
170.07249	1.3
170.10941	0.9
175.07466	1.1
175.08809	1.4
175.11194	19.1
175.14799	7.2
177.00726	2.0
177.09097	4.5
177.12729	4.1
177.16304	0.9
179.10667	2.5
179.14331	1.0
185.09636	12.1
185.13266	5.2
191.10629	1.1
193.08636	1.9
193.12216	1.6
193.15907	2.1
203.10774	34.3
203.14326	12.3
203.17934	4.7
206.16202	1.2
210.08197	2.5
221.04486	2.8
221.07886	1.7
221.09589	2.0
221.11922	22.1
221.15366	100.0
221.18712	6.1
222.15698	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	221.0922
Annotation	7-HYDROXY-DL-TRYPTOPHAN
Peak:m/z	Relative Intensity
55.01862	2.6
55.05499	3.9
56.96566	12.4
57.03437	1.5
57.07078	6.9
60.04523	1.8
61.02927	1.1
67.05499	4.3
69.03423	3.3
69.07063	2.9
69.95139	5.7
69.95776	0.9
70.06582	7.1
71.04974	2.3
72.08115	1.0
73.02906	3.9
73.06571	1.4
74.06072	2.1
79.05480	1.7
81.03442	1.8
81.07054	6.2
82.02950	2.3
82.06565	1.3
83.04965	1.1
83.08611	2.1
84.04520	1.1
84.08136	1.0
85.02895	4.0
85.06541	1.3
86.09689	2.5
86.69055	0.9
87.04468	1.4
90.05544	1.6
91.05473	4.7
93.07018	3.2
94.06555	4.3
95.01339	2.8
95.04971	3.0
95.08627	4.7
97.02877	6.4
98.97589	6.5
103.05488	1.0
104.03065	2.4
105.07025	5.5
106.27897	0.9
107.04961	1.5
107.08598	4.2
109.02876	1.6
109.06517	1.9
109.10138	6.7
111.05551	1.4
111.08067	5.9
112.07611	1.7
113.03615	2.6
115.03932	1.7
115.05470	2.1
116.07088	4.5
116.98584	6.1
119.08616	4.8
120.08090	1.3
120.42239	0.9
121.06508	3.7
121.10126	1.8
123.08076	1.2
123.11669	1.5
127.03895	1.4
127.07027	1.7
128.98640	1.7
129.05452	1.2
129.07007	1.6
130.06526	78.0
131.04866	2.3
131.06894	1.0
132.04451	42.7
133.06474	1.2
133.10138	5.5
134.10812	1.1
134.99644	6.5
135.08046	3.7
135.11679	1.4
136.06168	2.1
137.05998	3.9
137.06987	0.9
137.09633	2.5
141.05472	2.4
145.10143	1.2
146.99663	2.0
147.03336	0.9
147.04433	2.2
147.08028	1.6
147.09227	1.1
147.11693	3.0
148.07565	3.8
151.07654	1.4
151.11133	1.7
152.04111	1.1
153.09149	2.8
155.04645	2.8
157.07616	56.0
158.06012	83.8
158.99655	2.3
159.12013	1.7
161.01241	1.1
161.04683	2.4
161.05934	1.7
161.09630	3.8
161.13240	3.2
163.11093	1.1
164.05186	2.0
165.00682	1.7
165.09128	3.0
175.02788	1.5
175.08675	100.0
175.14813	3.3
176.05226	1.3
176.07045	2.6
176.09099	1.4
177.00713	3.1
179.03514	1.2
179.09297	1.2
179.10722	1.4
185.07155	1.5
185.09853	1.1
186.05533	2.4
186.96843	1.4
189.00713	1.2
191.03838	1.6
193.12296	1.3
193.15909	4.2
200.04425	1.4
203.08165	33.8
203.10753	2.2
203.14340	1.9
203.17923	1.6
204.06606	3.3
204.97870	1.3
206.16144	3.1
207.05452	1.4
219.01735	2.2
221.04494	3.6
221.09369	18.9
221.11621	4.2
221.15135	7.3
221.17969	5.1
221.22795	1.3
237.02678	1.2
239.09593	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.3
55.01867	5.7
55.05519	3.8
56.05032	0.8
56.96561	14.7
57.03426	3.3
57.07072	4.7
59.04994	1.2
60.04515	3.5
61.02908	3.3
64.12798	0.7
67.05499	3.8
69.03426	12.5
69.07053	2.7
70.06586	7.1
70.37640	1.8
71.01342	1.6
71.04982	2.8
72.08138	2.1
73.02913	7.5
73.06550	1.5
74.00246	1.0
74.06062	2.3
75.04453	2.4
76.03989	1.1
79.05480	1.5
81.03400	2.5
81.07051	5.1
82.02931	2.3
82.04196	1.3
83.01340	16.2
83.04959	2.2
83.06074	1.0
83.08614	2.0
84.08123	2.7
84.96001	1.2
84.99240	0.8
85.02900	7.1
85.06530	1.6
86.09692	2.1
87.00829	2.4
87.04457	3.0
89.02441	0.9
90.05553	1.0
91.05461	2.9
93.07027	3.0
94.06555	3.4
95.01325	49.6
95.04965	2.2
95.08597	3.4
97.02878	5.5
97.06520	0.8
98.03690	1.8
98.97570	8.6
99.04424	2.5
101.02399	3.5
101.06015	25.4
103.05460	1.0
104.01295	0.9
104.05287	1.2
104.10732	1.7
105.07007	4.0
107.04958	1.7
107.08632	3.5
109.02882	1.4
109.06516	1.2
109.10147	4.0
110.07196	1.2
110.97550	1.1
111.00800	8.9
111.08052	2.9
115.03925	3.0
115.05446	1.6
116.07091	5.2
116.98616	10.2
117.01858	5.3
119.01830	2.7
119.03418	4.0
119.04916	0.9
119.08604	4.0
120.08091	1.6
120.97959	0.9
121.06512	3.3
121.10115	2.2
123.04411	1.4
123.11652	1.4
125.02401	1.3
127.03893	2.0
127.07049	2.1
128.98595	2.7
129.01830	5.5
129.05475	30.8
130.06520	86.4
131.00142	1.4
131.05002	0.7
131.05995	0.7
132.04445	43.3
133.10092	3.2
134.99660	7.9
135.07986	1.7
137.05981	4.1
137.09605	2.1
139.03400	1.1
139.07549	0.8
141.01289	1.0
141.05464	48.1
143.03391	3.1
146.99670	4.4
147.03267	1.5
147.04401	1.6
147.08073	1.2
147.09122	1.1
147.11670	2.5
148.07559	3.9
149.01195	2.4
149.04445	2.8
151.07526	1.0
153.09142	1.7
155.02873	0.9
155.03448	0.9
155.04652	8.8
155.54761	4.9
157.04964	19.3
157.07611	55.0
158.06009	84.4
158.99677	3.6
159.06360	1.6
161.01221	1.6
161.02672	1.1
161.09566	1.8
161.13283	1.3
164.05180	3.0
164.55342	1.1
165.00706	1.5
165.05507	1.4
165.09100	2.0
166.55479	1.1
167.02327	1.5
170.99559	0.9
174.99162	1.8
175.02809	2.0
175.08667	100.0
175.14832	2.2
176.07092	2.2
177.00685	5.0
177.02045	1.0
178.98541	0.8
179.10690	1.5
181.04982	1.6
182.03534	0.9
185.07121	2.0
186.05482	2.7
189.00763	1.5
189.03973	1.0
191.03868	1.8
191.08571	1.3
193.00128	2.1
193.01743	0.8
193.03772	1.6
193.15884	2.9
195.01674	0.9
196.99536	0.9
200.05086	1.4
203.02092	1.0
203.08151	36.5
203.14409	1.7
203.17905	1.1
204.06613	3.9
209.55869	0.9
217.00050	1.3
219.01765	2.4
219.08044	0.8
221.04591	1.8
221.06931	1.2
221.09204	20.3
221.11673	2.2
221.13191	1.0
221.15414	5.3
221.17749	1.3
221.22719	0.8
222.11296	0.9
222.13292	1.4
223.01379	0.9
237.02824	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	221.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.0
53.03936	1.5
55.01873	7.5
55.05513	6.2
56.96291	1.3
56.96564	21.0
57.03432	4.4
57.07076	6.4
59.04990	2.3
60.04525	6.6
60.95852	0.9
61.02923	2.8
67.05507	5.6
69.03430	15.8
69.07054	4.5
69.76473	0.8
70.06597	8.7
71.01341	1.6
71.04989	3.5
71.22381	2.2
72.08118	1.1
73.02917	10.0
73.06564	2.1
74.06076	1.9
74.97604	1.9
75.04472	4.2
75.06478	0.9
76.12776	1.0
77.03883	0.9
79.05471	2.8
81.03426	4.5
81.07060	6.9
82.02933	2.8
82.06599	1.0
83.01342	16.5
83.04984	3.2
83.08610	2.6
84.08138	1.7
84.96033	1.7
85.02900	9.8
85.06535	1.5
86.09698	1.7
87.00819	3.0
87.04457	3.2
89.02347	1.0
91.05441	4.5
93.07043	3.7
94.06561	4.5
95.01328	56.9
95.04967	2.1
95.08603	4.7
97.02913	8.1
98.03672	2.1
98.97591	11.2
99.04436	2.2
100.02481	1.3
101.02367	3.7
101.06020	27.2
103.05451	2.0
105.07051	4.5
107.04945	1.7
107.08598	3.9
109.02875	1.5
109.06506	2.5
109.10151	5.6
110.01310	1.1
110.97597	1.3
111.00799	10.1
111.04436	1.8
111.08089	4.1
115.03907	3.3
115.05437	1.6
116.07062	5.8
116.98626	12.4
117.01843	6.4
117.07015	1.3
119.01855	2.5
119.03387	4.6
119.04920	1.0
119.08588	4.9
120.97906	1.2
121.06495	4.0
121.10131	3.0
123.04441	1.0
123.08066	1.7
123.11716	2.2
125.02354	1.6
127.03900	2.9
127.07050	1.1
128.02336	2.8
128.98618	2.5
129.01840	4.5
129.05478	28.1
129.06981	1.4
130.06529	82.8
131.00215	1.8
131.01822	2.0
131.03537	1.0
131.04942	1.1
132.04456	43.9
133.01620	0.8
133.10143	3.0
134.99655	9.2
135.08051	1.9
135.11710	1.0
136.07591	1.2
137.05957	5.6
137.09581	4.5
141.05469	50.1
142.07869	0.9
143.03407	4.5
146.03998	1.2
146.99652	6.0
147.03304	1.2
147.04364	2.2
147.08029	1.2
147.11714	2.8
148.03783	1.1
148.07547	3.3
149.01239	4.4
149.02336	1.2
149.04454	1.6
150.99146	0.9
151.07587	1.1
153.00723	1.6
153.09120	1.8
155.02852	1.3
155.04649	11.8
155.54823	4.6
157.04985	18.3
157.07614	55.3
158.01233	1.2
158.06015	81.1
158.99667	2.5
159.06415	1.1
159.11797	1.8
161.01149	2.8
161.02878	1.8
161.05954	1.6
161.09650	2.4
161.13235	1.3
163.07645	1.5
163.11209	1.6
164.05199	4.2
164.55380	2.1
165.00676	2.4
165.05524	1.3
165.09142	2.6
166.04924	1.0
166.55476	2.0
167.02264	1.7
170.03317	1.1
171.02982	0.9
174.99280	2.3
175.00943	1.0
175.02715	2.1
175.08676	100.0
175.14833	3.0
176.06989	1.8
177.00735	7.5
179.08632	1.1
179.10599	2.3
181.04980	2.0
185.07103	2.0
186.05524	2.1
189.00670	1.8
193.00191	1.9
193.03844	1.7
193.12202	1.3
193.15862	4.0
197.01404	1.0
201.00531	1.0
203.02258	1.5
203.08173	38.2
203.14491	1.5
203.17923	1.4
204.06552	3.5
206.16245	2.0
213.04266	1.2
216.01982	1.2
217.00066	1.5
219.01724	1.5
219.07880	1.2
221.04471	2.7
221.09274	21.3
221.11482	1.7
221.15437	8.2
221.18234	4.2
237.02763	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	220.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
53.48074	1.0
55.01865	5.7
55.05516	11.0
56.05030	2.6
56.05842	1.3
56.60583	1.2
56.96569	67.5
57.03439	18.4
57.07072	9.0
58.06578	1.9
59.05003	3.2
60.04524	2.9
60.95853	2.9
61.01146	1.7
61.02928	18.7
63.00859	1.1
65.03911	1.6
67.05506	12.1
68.05032	1.5
69.03075	1.6
69.03427	19.4
69.07051	2.6
69.71163	9.3
70.06573	5.4
70.98132	1.6
71.01344	5.6
71.04997	8.3
71.95240	2.0
72.04519	3.7
72.08157	19.6
73.02918	25.1
73.06552	8.6
74.06073	4.2
74.97602	3.1
75.04477	2.8
77.00827	2.3
79.05495	3.1
81.03407	7.6
81.07055	3.1
82.06571	2.1
83.01353	2.5
83.04981	7.5
83.97617	1.6
84.01591	1.9
84.04512	5.9
84.05760	2.3
84.08133	5.7
84.96030	5.6
85.01152	1.7
85.02413	2.5
85.02906	28.7
85.06066	2.5
85.06545	28.8
86.03204	1.8
86.06038	1.5
86.09711	6.4
87.04466	4.6
87.10023	2.0
88.03974	1.7
88.07629	2.0
88.99141	2.3
89.00732	2.0
89.06041	1.3
90.05554	15.2
90.09202	2.5
90.73385	1.3
91.03953	3.5
91.05469	3.6
92.01306	3.0
92.53036	1.1
93.07044	2.2
93.55727	1.4
94.06544	3.2
95.00735	1.3
95.01299	2.3
95.04981	4.1
96.04476	1.8
97.02887	25.6
97.06529	1.4
98.01292	2.3
98.02430	1.7
98.03214	1.7
98.06065	3.2
98.97583	27.9
99.04445	7.5
99.97929	2.1
100.02451	1.4
100.03956	1.4
101.02369	5.1
101.51159	1.1
102.05545	1.8
102.09164	2.6
103.02389	1.8
103.03946	1.2
105.02108	1.5
105.07013	3.4
106.01010	3.0
106.25926	1.3
107.00161	1.9
109.02890	4.2
109.07700	1.2
110.01263	6.0
110.07159	1.5
110.97589	7.4
111.02086	2.6
111.04463	1.7
112.99136	1.4
114.05556	1.8
114.09151	2.8
115.02172	6.7
115.03963	2.1
116.00264	2.0
116.03428	1.8
116.98627	30.6
117.01928	3.5
117.05483	1.4
117.98949	1.7
118.01045	1.8
118.03526	2.0
119.00128	1.7
119.01863	17.6
119.04940	1.5
119.08578	2.8
120.02031	5.2
120.08942	1.2
121.01667	3.4
121.10120	1.7
123.04432	1.3
124.01011	1.5
124.02857	1.4
124.07601	3.8
124.95482	1.4
125.01711	1.6
126.02599	2.8
126.03673	1.8
126.05347	1.3
127.01540	3.0
127.03923	7.0
128.02348	15.9
128.03323	2.3
128.98595	12.6
129.10201	1.6
130.06563	8.7
130.52562	2.0
131.00160	3.2
131.01842	3.2
131.03397	1.5
132.00659	2.1
132.02547	2.3
132.03526	2.0
132.04456	5.8
132.97882	1.7
133.01662	5.2
133.03218	11.9
134.02246	2.4
134.10503	2.0
134.99655	27.3
135.03046	2.7
135.99985	2.4
136.06232	2.4
137.02866	4.9
137.05994	3.6
137.09631	1.5
137.98505	1.4
138.02596	1.9
138.06538	1.6
139.01524	2.9
139.04117	1.9
140.02280	3.4
140.07056	1.3
141.01262	2.8
141.05490	1.5
143.00209	2.7
143.01939	1.6
143.03395	1.2
145.01662	1.4
145.03519	1.7
145.04994	2.9
146.02361	3.6
146.06013	2.0
146.99658	20.7
147.01335	1.5
147.03133	2.3
147.04321	2.9
148.00003	1.4
148.01991	2.8
148.03831	11.4
148.09715	1.7
149.01222	6.0
150.01778	4.4
150.05818	5.1
150.99007	1.7
151.02710	4.5
152.52097	1.8
153.00662	3.8
153.05676	2.0
154.02098	1.9
155.02791	3.1
155.04671	2.6
155.54881	1.7
155.99690	3.3
156.03548	2.0
156.13858	32.9
157.01454	1.7
157.02577	11.1
157.04401	6.6
157.07587	4.2
158.01260	2.4
158.06041	12.5
158.11804	3.8
158.99634	7.6
159.03073	2.4
159.54677	1.5
160.02042	3.6
160.03152	4.0
160.06070	2.6
160.97615	1.9
161.01212	7.2
161.03012	2.8
161.06566	1.8
162.01801	2.3
162.03549	6.1
162.06343	3.9
162.99097	2.9
163.02661	3.6
163.04378	2.2
163.08490	1.6
165.00679	8.7
167.02745	1.2
168.01808	5.3
168.03589	2.0
168.51930	2.2
169.02391	7.0
170.01318	2.6
170.99635	3.9
172.04182	1.3
172.95242	2.0
173.01199	2.4
173.02913	1.8
174.00626	7.7
174.01985	2.3
174.05637	1.4
174.14917	11.4
174.99129	4.5
175.02663	7.1
175.08679	13.7
175.15222	1.5
176.03384	4.6
177.00717	11.8
177.02228	2.3
177.04164	2.0
177.12761	1.4
178.03902	2.6
178.98444	2.4
179.02258	4.8
181.02556	3.0
181.04953	3.5
182.01653	1.9
182.03287	2.8
183.02330	6.9
184.03110	3.0
184.04697	1.9
184.09686	2.8
184.53241	1.4
185.03152	1.3
187.04387	2.1
188.97050	2.7
189.00780	7.4
189.02303	2.5
189.04073	2.1
190.03099	4.9
190.96242	3.4
190.98672	3.5
191.02222	4.4
191.03909	1.5
192.01758	2.2
192.06503	2.2
193.00230	4.8
193.03836	3.3
195.01866	1.6
196.99513	8.6
197.01120	2.2
197.04880	1.7
201.00717	3.4
202.02626	4.0
202.05379	2.3
202.07076	1.5
202.10799	5.7
202.14378	21.6
203.02180	3.0
203.03888	1.8
203.10522	1.3
204.02818	3.4
204.14671	11.7
205.00279	1.7
205.15875	19.5
207.01793	4.0
214.98376	1.6
217.00090	1.7
217.05554	2.4
219.01730	10.8
220.03966	16.3
220.06071	20.0
220.08031	2.9
220.09772	2.4
220.12228	10.3
220.15450	100.0
220.17819	52.1
220.54312	2.3
220.56291	2.9
221.03233	3.8
221.05048	2.6
221.09280	3.4
229.03868	1.7
232.99789	1.7
233.03319	2.3
237.00487	2.2
237.02803	22.8
238.03166	2.6
238.05640	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	220.118
Annotation	D-pantothenic acid
Peak:m/z	Relative Intensity
52.39592	1.0
55.01857	1.9
55.05516	2.6
56.96571	7.2
57.07073	8.8
59.04987	4.5
60.04520	2.9
61.02899	4.7
65.64944	1.2
67.05513	6.5
69.03403	4.1
69.07065	7.9
70.02934	4.2
70.06568	2.4
71.01331	3.8
71.04971	2.5
71.59070	1.2
71.59549	1.7
72.01667	2.0
72.04524	13.0
72.08151	6.4
73.02894	4.3
74.02433	2.1
74.06059	1.1
75.04479	6.4
76.04800	3.6
79.05496	2.1
81.03396	1.4
81.07031	5.5
83.04979	3.1
84.04472	4.7
85.02890	4.0
85.06539	9.9
86.06087	2.8
86.09686	2.3
87.04459	10.6
87.08098	1.3
89.02401	2.2
90.05558	100.0
91.05440	3.9
93.07033	2.0
95.04967	9.0
95.08561	1.7
96.08102	1.8
97.02873	4.7
98.02421	9.9
98.06049	8.6
98.74923	1.2
98.97575	1.6
99.04458	1.2
100.03954	2.3
102.05483	1.3
103.03966	6.0
103.07588	8.1
104.04265	5.0
105.07011	3.6
107.04891	1.7
109.02890	1.4
110.07121	1.3
111.04417	1.6
112.07575	2.2
113.05980	3.5
116.03468	15.8
116.98602	3.9
119.08533	1.8
120.08938	3.0
120.40965	1.2
121.06480	2.1
121.07581	1.1
121.10121	2.0
122.10422	2.6
122.77071	1.2
124.07591	18.8
127.03905	1.7
131.07025	1.3
133.10075	2.9
134.10423	3.7
134.99660	2.7
136.06195	1.2
136.08595	1.2
137.05963	1.9
140.10712	7.9
142.08653	8.2
145.10091	2.6
146.05873	1.8
147.04391	2.2
147.07982	1.6
156.10156	3.2
158.11771	37.0
159.02846	5.2
160.03233	14.7
160.09735	3.0
160.28152	1.2
161.08197	1.4
162.09952	1.3
162.13593	1.8
164.10637	1.4
166.08719	1.9
174.00714	3.7
174.05484	2.2
174.11249	3.3
177.00726	2.3
177.12802	1.6
181.04880	1.8
184.04778	1.8
184.09708	17.8
187.54169	2.9
189.12465	1.3
192.06558	1.9
192.17395	1.9
196.54723	2.8
202.05035	1.3
202.10742	32.0
202.14377	3.9
203.14384	1.4
204.14638	16.0
205.15875	24.7
220.05481	3.2
220.09908	2.8
220.11813	43.8
220.15450	9.3
220.17760	72.1
221.11713	1.3
221.15564	1.2
228.97527	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1744
Annotation	Dihydromylione A
Peak:m/z	Relative Intensity
55.05507	3.8
56.79235	0.6
57.07067	2.1
58.23489	0.6
59.04983	0.8
60.99913	0.6
67.05506	5.7
68.80379	0.7
69.03397	1.3
69.06728	1.2
69.07069	18.2
69.07636	0.7
70.69629	0.7
71.05000	3.4
71.06844	1.9
79.05486	2.7
80.63762	0.7
81.07061	9.3
83.04993	1.4
83.08614	2.5
85.06523	1.0
91.05476	4.5
93.07040	6.8
95.04955	2.0
95.08611	13.9
97.06535	1.7
97.10175	1.2
105.07034	13.3
107.04936	1.0
107.08599	11.3
109.06513	4.8
109.10160	13.7
109.10894	0.4
111.08074	1.5
113.09625	1.1
117.07045	2.3
119.08585	12.3
121.06483	1.3
121.10145	13.3
123.08034	2.0
123.11727	3.5
125.09605	1.3
129.07095	0.8
130.07770	1.0
131.08574	4.4
133.10138	6.8
135.08055	2.3
135.11690	9.2
137.09628	4.9
137.13194	1.3
143.08548	1.2
145.10118	12.3
147.11700	3.3
149.09636	5.4
149.13240	2.5
151.11194	1.6
159.11713	7.5
161.09602	0.8
161.13277	6.3
163.11192	8.0
173.13255	2.5
175.14799	4.5
177.12735	2.8
177.16278	1.3
188.11981	1.0
191.17969	5.0
201.16383	9.2
203.14326	11.9
219.17442	100.0
220.17822	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	219.1339
Annotation	H-Ser-Leu-OH
Peak:m/z	Relative Intensity
55.01882	0.5
56.96554	0.5
59.34800	0.4
60.04526	100.0
67.05496	0.9
67.56072	0.5
68.33231	0.5
69.07095	0.6
75.04439	0.6
79.05521	0.6
81.07071	0.6
81.35899	0.5
85.02931	0.7
86.09706	66.2
87.05597	2.9
98.06129	0.5
98.97584	2.0
103.03957	0.7
105.07036	0.9
107.08608	1.2
116.98605	1.7
119.08601	1.6
121.10185	1.1
128.10715	2.8
131.03387	0.9
131.04973	0.6
132.10204	53.2
133.10153	1.7
134.99696	1.5
144.96065	0.6
155.11836	0.8
158.11824	1.9
159.02858	0.6
161.13272	1.1
172.09706	0.8
172.95313	0.7
173.12859	26.5
174.13287	0.6
177.00726	0.6
190.95306	0.7
201.12328	6.1
203.14322	7.0
219.11453	0.7
219.13414	14.2
219.17435	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	219.1341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.5
55.05503	1.9
56.05021	2.6
56.96566	19.9
57.03447	3.1
57.07067	0.6
58.06600	1.0
60.04519	1.1
61.02631	0.6
61.02925	6.0
65.72665	0.4
67.05507	0.9
69.03439	3.5
69.07076	3.4
70.06582	0.7
70.98120	1.7
71.01350	0.8
71.04995	1.6
71.60391	0.6
71.95261	0.7
72.04520	0.7
72.08155	4.8
73.02517	0.4
73.02912	3.0
74.06081	14.2
74.97620	0.5
75.04488	1.1
81.03424	0.8
81.07059	0.8
83.04981	0.7
84.04518	1.0
84.08141	3.5
84.96030	0.9
85.02907	4.6
85.06544	0.9
86.09708	100.0
87.00824	0.4
87.04459	0.9
87.10001	0.7
88.99158	0.8
90.09178	0.4
95.01357	0.5
95.04949	0.4
97.02887	3.6
97.35535	0.4
97.99197	0.5
98.01329	0.8
98.97585	32.5
99.04456	1.7
99.97955	0.4
100.02454	1.0
100.99151	0.5
101.00841	0.8
101.02409	0.5
101.07153	0.6
101.65454	0.5
104.01289	0.4
105.07029	0.9
106.05035	1.8
107.08623	0.5
109.02889	0.6
110.01279	0.6
110.97564	2.0
111.01992	0.5
111.04411	0.5
112.99151	1.1
113.02410	0.9
114.09146	0.6
115.00693	0.9
115.02437	0.7
116.98620	25.9
117.01895	0.7
118.03546	0.6
118.08672	2.0
119.01892	4.7
119.08546	0.7
120.02064	0.5
121.01669	1.2
121.10139	1.3
127.01540	0.6
127.03907	1.4
128.02298	1.2
128.98615	3.7
129.02174	0.7
130.08647	0.5
131.00191	2.6
131.01831	1.2
131.03424	1.1
132.10178	0.6
133.01688	2.2
133.03497	1.8
133.10162	1.2
134.99661	16.3
135.03136	0.8
137.02899	1.5
140.00185	0.8
140.98587	0.9
141.03137	0.6
142.96509	0.7
143.00108	0.5
143.01920	0.8
143.11783	0.5
145.01653	0.7
145.03477	0.5
146.99664	4.1
147.01363	0.5
147.03249	2.6
148.03889	2.6
149.01201	2.7
149.02899	1.0
150.01773	0.5
151.02722	0.9
151.04568	0.7
153.00693	2.3
156.03584	0.7
156.13817	0.9
157.04427	1.5
158.01274	1.2
158.99657	3.5
159.03084	1.4
160.97646	0.4
161.01158	1.6
161.02953	1.6
161.13264	0.6
163.00829	0.6
163.02774	0.8
163.04375	1.3
165.00711	2.8
165.04369	0.7
168.99869	0.5
169.04352	0.9
170.05119	0.7
170.99670	0.8
171.05057	0.9
172.95264	1.4
172.99414	0.5
173.01201	1.1
173.02962	1.1
173.12880	1.8
174.99062	0.5
175.02795	0.5
177.00742	11.4
177.02264	0.6
177.04272	4.0
178.04959	0.8
179.02162	0.7
182.99745	0.5
186.03047	0.5
187.00793	0.6
189.00696	1.7
190.96304	1.2
191.00430	0.7
191.02109	0.6
191.03813	0.8
193.00212	0.6
195.01802	6.8
195.03561	0.9
195.05289	2.5
195.96953	0.4
196.00963	0.7
196.04753	0.6
198.04663	0.7
200.02327	1.0
201.00726	1.3
201.02432	0.7
201.06174	0.4
201.12419	1.8
202.14395	0.6
203.04150	0.4
203.14316	5.1
205.00166	0.5
207.01764	0.9
214.01968	0.6
219.01735	3.9
219.03575	0.5
219.05394	2.1
219.07185	1.1
219.13429	5.5
219.17432	18.7
220.15370	2.0
237.02788	6.2
237.06522	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.87921	0.8
55.05503	1.9
57.03434	1.4
57.07067	1.2
59.72684	0.9
67.05499	3.0
69.03436	1.2
69.07060	2.2
71.05000	1.5
71.58510	1.7
79.05494	2.1
81.07041	4.3
83.04980	0.9
91.05481	10.3
93.07031	3.2
95.04963	1.7
95.08591	2.2
97.06538	1.4
98.97590	2.5
103.05485	1.9
105.07032	9.9
107.08614	4.7
109.06552	1.2
109.10155	1.6
110.89196	1.0
115.05437	7.3
116.06232	2.0
117.06992	4.8
119.08583	8.2
120.08101	3.2
121.10143	5.1
123.04470	0.9
123.08072	1.3
125.09673	1.1
128.06223	7.7
129.07007	34.5
130.07773	2.5
131.04890	5.6
131.07576	1.8
131.08563	34.3
133.10118	11.4
134.36800	0.9
135.08025	1.3
135.11667	1.0
137.05981	3.3
141.06996	26.6
143.04918	2.2
143.08548	3.1
144.05667	4.8
145.06496	7.5
145.10081	5.9
146.07275	4.7
147.08047	1.0
147.11711	2.2
149.09579	1.0
157.06488	17.0
157.10115	1.4
158.07280	17.2
159.04436	4.3
159.08069	21.6
159.11685	6.0
160.05208	4.7
160.12152	0.9
161.06004	1.2
161.09627	5.4
161.13269	2.8
163.07558	1.4
168.05695	1.4
169.06471	13.4
169.07721	0.8
170.07289	4.6
173.06018	3.4
173.09662	2.0
173.13277	3.2
174.06769	57.3
175.07487	9.8
175.14838	1.5
186.06761	17.4
187.07500	1.7
187.11273	1.2
188.08345	2.4
189.09109	76.3
190.09486	1.2
191.07027	1.5
191.10658	6.5
201.09108	30.1
201.12811	2.5
201.16327	1.8
203.14322	18.6
203.16164	1.3
219.10168	100.0
219.13818	6.7
219.17430	79.7
219.20610	1.2
220.10463	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
50.21918	0.7
55.05499	1.9
56.96572	1.0
57.03425	0.9
57.07072	1.4
67.05493	2.2
69.07064	2.0
69.80968	5.3
71.04983	1.5
79.05479	2.4
81.07050	3.4
83.08588	0.9
91.05485	9.0
93.07024	2.7
95.04942	1.1
95.08604	1.9
97.06522	1.6
98.20741	1.3
98.97575	1.1
101.32452	0.8
103.05476	1.8
105.07018	6.0
107.08601	3.0
109.06560	1.1
109.10181	1.5
115.05457	6.6
115.59612	0.7
116.06252	1.7
117.07003	3.5
118.15062	0.9
119.08583	6.1
120.08115	0.8
121.06534	0.9
121.10125	4.2
123.04395	1.2
128.06209	6.5
129.07005	22.8
130.07732	2.7
131.04933	4.5
131.08566	27.0
133.10117	6.5
135.08008	1.4
135.11729	1.5
137.05981	2.5
141.06982	20.2
143.04898	1.1
143.08542	1.1
144.05696	3.6
145.06471	4.6
145.10139	5.4
146.07239	2.8
147.11722	1.2
149.05939	0.7
149.09612	1.1
157.06491	13.5
157.10138	1.2
158.07272	15.1
159.04414	1.3
159.08046	18.4
159.11707	5.3
160.05217	3.5
161.06050	1.0
161.09590	3.6
161.13216	1.5
163.07541	2.0
168.05737	0.9
169.06480	9.7
169.07718	0.6
170.07257	4.0
173.05974	2.0
173.09637	2.4
173.13138	1.6
174.06772	45.6
175.07520	7.5
175.14854	1.6
177.09215	1.2
185.06068	1.0
186.06764	13.1
187.07552	1.3
188.08330	2.5
189.09105	65.2
191.06987	1.5
191.10677	6.3
201.09099	26.5
201.12686	2.0
201.16432	2.4
203.14330	12.4
207.47804	0.8
219.10164	100.0
219.13779	5.1
219.17426	54.4
219.19617	1.9
220.10558	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	219.1015
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
55.05507	1.3
56.96570	0.8
57.03439	1.3
57.07056	1.1
61.62100	0.5
67.05504	2.5
69.07059	2.1
69.61678	4.6
71.04990	1.2
79.05487	2.1
81.07066	3.9
83.04957	0.9
87.04482	0.7
91.04960	0.9
91.05486	10.0
93.07031	3.0
95.04959	1.2
95.08614	2.8
97.06517	1.3
98.97576	2.4
103.05477	2.5
105.07034	5.2
107.04956	0.6
107.08580	2.7
109.06515	1.3
109.10102	1.3
115.05438	6.2
116.06228	2.9
116.98623	1.3
117.07041	4.6
117.12091	0.5
119.08574	3.4
120.08089	0.8
121.06491	1.2
121.10143	3.8
123.08060	1.2
125.09702	0.8
128.06218	6.9
129.07010	30.8
130.04164	0.7
130.07750	1.9
131.04941	5.3
131.08571	30.9
132.08842	0.7
133.06529	0.7
133.10133	7.1
134.99692	1.1
135.08078	0.9
135.11678	1.5
137.05981	3.8
141.06996	26.8
142.07722	0.5
143.04915	1.4
143.08536	2.3
144.05710	4.3
145.06505	4.9
145.10176	4.1
146.07256	3.8
147.04333	0.5
147.07994	0.9
147.11681	1.8
151.03931	0.5
151.07666	0.5
153.06982	0.8
155.04855	0.7
157.06494	15.8
157.07748	1.1
157.10118	0.7
158.07288	14.9
159.03262	0.6
159.04466	3.0
159.08064	20.9
159.11700	5.6
160.05203	3.0
160.08502	0.6
161.06029	1.1
161.09627	4.9
161.13263	2.9
162.06783	0.9
163.07545	2.5
167.03409	1.1
168.05780	1.2
169.06465	10.5
169.07619	0.8
170.07286	5.3
171.04434	0.9
171.07971	1.1
173.05997	4.2
173.09622	2.6
173.13249	1.9
174.06769	58.7
175.07512	9.8
175.11154	1.0
175.14783	1.4
177.00697	0.7
177.09142	1.0
183.11742	0.8
185.05981	1.0
186.06773	14.1
187.07516	2.0
187.11176	1.1
188.08344	3.1
188.11914	0.8
189.09109	72.0
190.09529	1.8
191.07010	1.5
191.10666	5.9
201.09105	29.6
201.12805	1.9
201.16365	2.0
203.14323	12.0
219.10170	100.0
219.13795	4.6
219.17427	50.7
220.10489	2.0
233.01694	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	15.0
56.05037	9.1
56.96561	14.7
61.02918	12.9
69.03441	8.4
71.59936	7.3
71.60290	12.4
72.08160	73.5
73.02911	9.9
73.64115	7.8
74.06099	51.1
84.08142	28.4
85.02917	17.4
86.09705	100.0
87.77698	8.0
90.67026	7.0
98.97588	43.3
116.98613	14.8
118.08695	9.5
118.75022	7.6
119.01900	21.7
128.48541	7.6
130.66490	8.1
134.99678	9.3
138.85378	6.9
145.03491	8.4
165.04355	6.6
173.02986	16.7
177.00792	13.4
189.00607	7.1
196.04622	10.4
219.02750	25.6
219.13484	27.8
219.17267	34.4
235.09079	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	219.1016
Annotation	1,2,4-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.36130	1.0
55.05500	3.0
57.03442	1.6
66.41516	1.0
67.05491	3.2
69.07060	2.8
70.15261	3.1
70.15652	2.3
71.04988	2.3
79.05474	3.7
81.07053	6.3
81.54652	1.1
83.04984	1.8
85.06559	1.0
91.04945	1.4
91.05477	11.3
93.07031	4.7
95.04967	2.6
95.08609	4.3
97.06503	1.6
98.97578	2.2
102.45779	1.1
103.05448	2.2
105.07024	8.9
107.08628	5.5
107.09212	1.0
109.10150	2.5
115.05467	7.9
115.71095	1.1
116.06242	2.3
117.07006	4.2
119.08575	7.7
120.07996	1.1
121.06458	1.3
121.10177	5.8
123.08068	1.7
125.02381	1.0
128.06241	6.9
129.07011	26.7
130.07767	3.0
131.04918	6.1
131.08569	32.4
133.10129	12.3
135.08023	1.2
135.11731	1.2
137.05988	2.9
141.05969	1.8
141.06998	27.3
142.07709	1.3
143.04889	1.5
143.08505	1.7
144.05679	5.1
145.06453	6.1
145.10101	7.0
146.07259	3.3
147.08032	1.6
147.11691	2.2
148.05185	1.6
149.05940	1.4
157.06473	15.4
157.07597	1.8
157.10130	2.2
158.07289	15.4
159.04437	2.2
159.08058	22.1
159.11691	7.8
160.05200	3.1
161.05898	2.2
161.09595	4.9
161.13245	4.0
163.07454	2.6
163.11148	1.2
169.06473	10.4
169.07686	1.7
170.07220	5.7
173.05954	3.5
173.09625	3.5
173.13269	2.9
174.06770	58.8
175.07521	9.6
175.14810	2.0
177.09103	1.1
185.06076	1.5
186.06744	12.1
187.07553	1.4
187.11121	1.9
188.08321	3.3
189.09111	78.8
190.09441	1.9
191.07031	1.7
191.10663	6.2
201.09113	33.1
201.12758	1.9
201.16328	2.8
203.14331	19.0
219.10162	100.0
219.13773	5.5
219.17427	75.4
219.19638	2.4
220.10619	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	215.1643
Annotation	SCHEMBL1011313
Peak:m/z	Relative Intensity
53.03955	1.1
55.01872	2.5
55.05265	1.3
55.05516	23.6
56.96568	1.8
57.03432	4.6
57.07063	3.1
59.04988	1.1
65.03916	1.1
65.87199	0.9
67.05173	2.2
67.05508	32.0
69.03429	2.1
69.07070	28.5
71.05000	13.1
72.93781	1.1
73.06557	2.0
74.88474	0.9
79.05498	16.6
81.07060	75.1
83.04964	5.7
83.08628	19.2
85.06551	22.6
86.09712	1.9
91.05482	19.3
93.07053	22.0
95.04984	3.7
95.08611	100.0
97.06537	24.9
97.10178	11.4
98.97581	2.1
98.98472	1.4
99.08091	9.8
101.06013	1.1
105.07039	26.8
107.04893	1.0
107.08598	11.3
109.06523	3.6
109.10157	8.9
111.08088	5.8
113.09624	2.8
115.07565	2.7
115.97074	0.9
117.07027	2.4
119.08593	34.1
121.06495	1.1
121.10146	12.4
123.08080	8.3
123.11728	1.9
127.07547	2.6
131.08543	3.3
132.95828	5.1
133.10127	26.4
135.11714	18.0
137.09598	3.3
137.13260	16.5
139.01636	2.6
141.09106	2.4
145.10121	2.5
150.96910	12.4
151.14917	1.3
159.11708	6.0
161.13263	79.1
169.10094	1.7
173.02321	2.0
173.13234	1.6
179.12724	2.0
179.14311	39.8
187.11214	1.7
191.97160	3.7
197.15355	16.7
209.98288	2.5
215.10658	1.7
215.14279	4.5
215.16325	1.1
215.17921	5.1
229.47289	0.9
231.03044	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	215.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06730	0.3
55.01868	0.6
55.05517	0.9
56.05042	0.7
56.96568	10.4
57.03445	2.3
58.06598	6.0
59.07379	0.7
60.08171	2.5
60.95854	0.6
61.02933	3.5
63.18124	0.3
65.60825	0.3
67.05492	0.7
68.05004	0.4
69.03432	2.0
69.07071	0.8
70.06596	9.6
70.13811	1.4
70.98116	0.5
71.04966	0.6
71.95305	0.4
72.08158	53.7
72.93803	0.5
73.02917	1.5
74.09714	0.9
74.97622	0.5
79.05511	0.5
81.03417	0.7
82.06596	0.7
83.04959	0.5
83.08611	0.4
84.04530	0.9
84.08146	3.4
84.96034	0.5
85.02914	2.6
85.06544	0.5
86.06092	0.7
86.09716	1.5
87.04488	0.7
90.94846	0.6
91.05463	0.4
95.04961	0.6
95.08602	1.1
97.02902	1.5
97.06562	0.4
98.02405	0.5
98.06039	2.6
98.97574	1.2
98.98470	1.4
99.09238	0.4
100.02498	0.4
100.07641	1.7
101.00871	1.2
103.02454	0.5
105.07043	0.5
107.00231	0.5
109.02883	0.6
110.01234	0.4
111.04443	0.4
112.07605	4.0
113.02385	1.0
114.05523	1.6
115.02465	0.4
116.07092	0.9
116.98609	1.1
117.06992	0.6
118.08691	0.6
119.01922	10.7
120.02007	1.2
121.01585	0.5
127.01446	0.4
127.03985	0.8
127.08700	0.5
128.02315	0.5
128.07101	3.7
128.10654	0.5
129.05455	0.6
130.01941	0.5
130.05014	0.6
131.01881	1.3
132.95850	0.8
133.03487	1.0
134.99658	1.5
137.02962	3.7
138.03191	0.4
138.05482	0.5
139.01596	2.4
142.96532	1.9
143.01923	0.4
144.99831	0.9
145.03503	0.5
145.10107	0.4
146.99646	1.1
149.01164	0.4
150.96895	3.9
152.07092	1.2
154.52975	0.6
155.12633	0.7
156.06535	3.4
160.04683	0.4
160.97598	5.4
161.01196	0.5
161.02950	0.6
163.02747	0.5
165.00723	0.7
168.99840	1.0
169.13364	13.1
170.03358	0.5
173.02924	0.7
174.03136	0.6
174.99136	1.2
177.00732	0.5
178.04979	0.9
178.98633	1.4
183.99149	0.8
187.00833	2.2
187.11012	0.5
187.14494	0.6
189.00734	0.4
190.98605	1.9
191.00250	0.7
191.97157	0.9
191.99013	0.4
193.00229	3.4
197.09340	0.5
201.00803	0.5
208.99597	0.9
209.98286	0.9
211.01195	0.6
215.01842	4.5
215.13918	100.0
216.12404	0.7
216.14255	1.3
217.00026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.139
Annotation	L-valyl-L-proline
Peak:m/z	Relative Intensity
55.01860	1.9
55.02119	0.6
55.05501	1.0
56.96330	0.8
56.96562	8.7
57.03436	4.7
58.06598	5.3
60.08171	1.8
61.02930	8.9
69.03418	3.6
69.98662	2.8
70.06588	8.7
71.04970	0.8
72.08155	21.3
73.02924	6.8
81.03409	1.2
83.04948	1.2
84.08137	4.4
84.96001	0.8
85.02901	8.2
86.09692	1.5
87.04478	0.8
97.02890	7.3
98.01311	1.0
98.09683	0.7
98.97584	9.5
99.04428	1.2
100.07636	1.0
101.00858	1.4
103.00630	0.7
104.01259	1.0
109.02834	0.8
110.01261	2.5
110.97574	2.4
111.02083	1.1
112.07584	2.3
116.01286	2.3
116.07085	5.9
116.98629	6.4
119.01874	8.3
120.01946	1.2
121.01629	1.5
121.03364	0.8
125.01759	4.3
127.03902	3.7
128.02332	1.5
128.07095	2.3
128.10677	0.8
128.98608	4.4
129.02196	0.7
130.01952	0.9
130.52609	0.8
131.01868	2.1
132.95836	0.9
133.01669	0.7
134.02281	5.1
134.99658	3.1
137.02896	2.0
140.02327	1.5
142.04910	0.9
143.00177	1.0
143.02823	5.4
145.03423	1.1
146.02284	1.6
146.03566	0.7
146.99658	5.4
147.03207	0.9
148.99863	0.7
150.96883	3.0
155.01781	1.2
155.02904	1.7
156.06548	1.6
158.99666	2.2
161.01260	1.4
161.02847	6.0
163.02725	1.0
164.03345	2.2
165.00626	0.8
165.97812	0.7
169.13364	28.2
170.03329	9.3
170.13683	0.7
170.99649	2.8
173.02916	2.5
174.03123	0.7
174.99126	0.9
176.03351	2.6
177.00720	4.3
182.03278	1.0
184.54079	0.9
185.03957	1.3
187.00980	0.9
187.02713	1.1
188.01038	0.7
189.00745	3.4
190.98573	1.6
191.03813	1.0
193.00224	2.2
197.03844	3.5
201.00674	2.5
201.90495	0.8
205.03748	0.8
206.04411	8.7
206.54608	1.4
207.01579	0.9
211.01147	0.9
215.04979	5.4
215.13908	100.0
216.15971	0.8
219.01773	3.0
220.53001	0.7
231.01830	1.2
237.02753	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.03940	2.0
55.01854	4.8
55.05510	43.3
56.96550	2.4
57.03421	4.9
57.07071	10.5
59.04990	5.5
65.03906	1.8
67.05506	19.1
69.03403	3.9
69.07065	100.0
70.06571	1.5
70.17850	5.6
71.04988	13.9
71.08630	1.4
73.06516	1.5
76.59340	1.2
79.05490	10.3
81.07054	54.6
83.04975	10.0
83.08622	19.7
84.08801	1.2
85.02874	1.2
85.06538	37.3
88.07578	1.4
91.05480	6.0
93.06474	2.0
93.07042	30.9
95.04961	2.2
95.08603	80.6
97.06539	7.9
97.10163	20.8
98.21418	1.4
98.97553	4.0
99.04445	1.2
99.08092	27.1
103.15984	1.3
105.07039	6.7
107.04935	2.7
107.08593	53.6
109.10157	28.3
111.04460	1.1
111.08079	4.5
111.11726	9.6
113.09643	15.9
116.98618	2.8
119.04948	1.2
119.08569	3.6
121.10139	72.1
123.11684	13.4
125.09638	10.3
125.51833	1.2
127.03934	1.9
127.11183	3.0
129.06992	3.4
131.08524	1.9
133.10139	3.3
134.99625	1.6
135.08092	1.4
135.11688	37.3
137.13251	33.9
139.11172	12.7
139.26933	1.2
141.06990	3.3
142.07776	5.0
143.08521	5.6
149.13254	11.7
151.14774	6.3
152.06116	1.4
153.05545	1.2
153.12737	12.4
155.08524	1.6
156.09334	2.1
156.11421	1.3
157.10149	13.8
158.99643	1.9
167.07022	3.0
169.06477	2.0
169.10037	2.0
170.07050	1.7
171.08110	1.5
171.11693	7.9
177.00696	2.1
177.09018	1.2
177.16382	92.9
185.09662	4.0
185.13239	3.6
195.10115	1.2
195.11740	3.4
195.17448	19.1
198.06827	1.7
213.05484	3.3
213.08910	8.5
213.12965	6.2
213.16357	18.6
213.18477	12.4
224.60715	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	213.1849
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
50.82396	1.5
53.03946	4.1
55.01868	8.0
55.05508	31.7
56.96562	7.4
57.03421	6.1
57.07078	12.7
59.04992	2.5
65.03897	2.6
67.05500	24.9
69.03419	7.9
69.07066	37.2
69.26802	1.9
69.27021	13.5
69.27439	8.5
70.06591	96.1
71.04979	12.8
71.08627	4.8
72.08143	2.5
72.63860	1.9
79.05487	28.4
81.03404	6.4
81.07054	71.1
83.04961	6.3
83.08616	29.2
85.02905	6.0
85.06553	13.9
86.09682	5.2
87.04588	1.8
88.07642	5.1
91.05487	13.5
93.07040	54.5
94.07359	2.0
95.04971	10.1
95.08604	95.2
96.08934	2.6
97.02866	3.3
97.06548	12.3
97.10165	17.8
98.21601	3.2
98.97588	12.1
99.04449	3.5
99.08081	9.3
105.07032	11.0
107.04964	13.4
107.08595	64.8
109.02859	4.3
109.06503	5.7
109.10155	39.2
110.10422	1.8
111.04472	2.7
111.08059	12.7
111.10853	2.2
111.11697	6.0
112.37450	1.7
113.05941	2.5
113.09673	3.9
114.99653	1.6
115.05439	2.2
116.07088	14.5
116.98624	13.9
117.06992	2.3
119.01984	1.7
119.04959	5.2
119.08558	10.7
120.62122	1.9
121.10141	80.8
121.51819	1.7
123.04420	2.2
123.08079	3.8
123.11709	16.6
125.06005	2.1
125.09628	7.0
127.03920	8.4
128.06210	4.5
129.07001	8.2
131.08568	6.0
133.06491	2.1
133.10118	4.0
134.99678	8.9
135.08032	3.7
135.10704	2.8
135.11687	32.7
137.09644	2.9
137.13249	14.6
139.05760	1.8
139.07527	2.8
139.11186	11.4
141.06981	5.2
142.07788	17.8
142.12338	1.9
143.08589	8.7
145.10138	2.6
147.11700	2.9
148.97353	4.1
149.04207	2.3
149.09636	6.4
149.13248	9.9
151.03891	1.9
151.11176	2.8
151.14847	5.2
153.07062	2.2
153.09102	3.6
153.12756	3.6
154.07777	4.9
155.08470	4.4
157.06506	4.3
157.10107	18.8
158.99648	6.8
159.11737	4.2
161.03041	2.5
163.07544	2.7
165.07016	3.9
165.16397	6.8
166.05130	2.0
167.05353	9.3
167.07040	12.4
167.08484	3.8
167.10675	2.8
167.97145	1.9
169.06461	2.3
169.10147	6.7
170.07208	2.9
171.08078	3.8
171.11685	7.9
177.00693	8.8
177.09081	3.2
177.12775	4.7
177.16393	100.0
180.09273	2.9
185.09598	19.1
185.13194	4.7
195.04831	5.2
195.08130	3.5
195.10117	7.0
195.11746	6.5
195.13731	2.6
195.17487	16.4
198.06778	4.4
198.10367	2.3
213.03775	2.9
213.05626	10.5
213.09190	45.8
213.12482	34.4
213.16388	13.1
213.18484	6.5
214.14323	2.1
229.03839	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	2.3
55.01871	6.1
55.05266	2.2
55.05517	35.4
56.96568	12.6
57.03424	5.4
57.07077	12.5
57.21323	1.9
62.90882	1.7
65.03926	1.9
67.05175	2.0
67.05513	36.6
68.10092	1.6
69.03426	10.8
69.07071	51.4
69.58610	1.6
69.68623	1.6
70.06590	13.4
70.19678	3.4
70.20086	6.5
71.04633	2.9
71.04993	24.4
71.08613	3.2
72.08157	25.7
72.93764	2.0
74.48556	1.7
76.55849	1.9
79.05501	23.3
81.03421	2.9
81.07062	71.0
83.04987	5.7
83.08621	28.1
85.02905	5.2
85.06550	13.2
85.10145	1.9
85.11811	1.9
86.09711	45.8
88.07634	6.2
90.94829	2.6
91.04994	2.7
91.05464	13.3
93.07048	47.6
94.17778	1.7
95.04978	4.9
95.08611	87.3
97.02908	3.0
97.06534	11.2
97.10181	16.0
98.97588	5.1
99.04456	3.5
99.08087	9.6
105.07045	13.6
107.04956	5.9
107.07867	3.1
107.08598	62.5
109.02863	1.9
109.06549	4.5
109.10162	72.9
111.04451	2.4
111.08064	8.9
111.11706	4.3
116.07065	2.3
116.98596	3.0
117.06934	2.5
119.04975	2.4
119.08604	6.4
121.10155	84.1
123.08050	2.2
123.11709	17.7
125.09666	11.0
125.13322	2.8
127.03938	3.8
128.06218	3.7
129.07013	9.4
131.08562	5.4
132.04398	3.2
133.10138	3.9
134.99655	6.2
135.08110	3.0
135.11702	30.9
137.13266	14.4
139.07558	3.2
139.11198	12.5
141.06976	4.4
142.07790	12.5
143.08574	8.2
147.11497	2.2
148.97357	5.2
149.09641	4.3
149.13318	10.3
150.06329	3.0
151.14813	5.9
153.09134	2.3
153.12738	6.9
154.07797	4.9
155.08540	2.7
156.09373	3.1
157.10159	17.8
159.11719	2.8
163.07523	2.0
165.07040	3.7
165.16406	8.7
166.98454	1.7
167.07007	5.5
169.10066	4.4
170.10884	1.8
171.08020	4.4
171.11659	6.4
177.00766	2.8
177.09090	3.9
177.12778	2.8
177.16394	100.0
180.09314	3.0
183.17413	2.8
185.09557	11.0
185.13293	3.9
185.16518	7.5
190.98689	2.2
195.06396	2.2
195.08098	3.5
195.10170	4.4
195.11716	9.1
195.13753	5.7
195.17447	36.2
198.06693	3.1
213.05714	1.8
213.09212	40.3
213.11069	3.1
213.12773	16.0
213.16360	22.1
213.18513	18.7
214.08595	2.2
232.99730	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	213.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49152	0.4
55.05515	3.1
56.96552	1.6
57.07068	3.9
62.64660	0.4
67.05506	0.9
68.09071	0.4
69.03404	1.0
69.07066	7.2
69.11389	0.5
70.06604	0.5
71.59504	0.9
72.93804	0.5
73.87259	0.5
79.05488	4.2
81.07041	1.9
83.08615	2.0
88.07628	1.8
91.05477	5.5
93.07030	5.3
95.04949	1.3
95.08614	2.5
97.06541	0.6
97.10181	0.5
103.05470	1.1
105.07028	44.7
106.07341	0.5
107.04969	0.8
107.08601	5.2
109.06555	0.6
114.45664	0.4
115.05453	1.4
117.07011	2.8
119.08582	40.2
120.08880	1.2
121.10146	9.1
123.08139	0.7
125.09666	0.6
128.06216	6.3
129.06999	5.4
131.08545	2.1
133.10144	6.0
139.07539	0.7
141.06958	2.4
142.06757	0.9
142.07780	11.6
143.08559	38.2
145.06371	0.4
145.10117	3.4
149.94005	0.7
155.08530	2.7
156.09351	11.0
157.10127	45.4
158.10754	1.3
159.11684	1.5
162.17326	0.5
165.06956	1.1
167.07069	0.5
167.08484	0.6
167.97224	0.6
169.10124	2.6
170.10878	3.7
171.11688	38.3
172.08949	0.6
172.12328	1.4
172.16960	6.2
180.09386	0.7
183.11703	4.3
184.12448	1.7
185.09576	0.6
185.13269	6.3
195.11714	1.9
198.10439	0.8
198.14049	4.8
199.14792	0.6
211.14684	0.6
213.05583	0.8
213.09167	1.4
213.12796	5.8
213.16382	100.0
214.16792	1.8
234.67242	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.60704	3.2
55.05512	18.1
56.96563	6.4
57.07069	12.0
67.05509	16.2
67.11888	2.7
69.03429	3.7
69.07066	9.6
71.04984	4.7
71.60058	4.5
74.77654	3.0
79.05499	10.3
81.07056	18.4
83.04989	10.9
83.08613	7.0
85.06543	5.5
88.07622	11.6
91.05485	8.8
93.07049	22.4
95.08617	19.3
97.06528	9.3
105.07030	10.3
107.04985	4.7
107.08591	29.5
109.06512	5.3
109.10144	4.6
111.04449	100.0
111.08081	7.1
117.07008	5.5
119.08598	11.1
121.06523	5.6
121.10155	11.0
125.05988	30.5
127.38601	2.9
128.06223	3.1
129.07036	4.8
131.08582	4.6
135.08040	19.6
135.11691	29.3
139.07584	5.3
141.06943	2.9
142.07793	5.9
143.08575	13.5
145.10155	21.6
148.97417	4.0
149.09650	5.0
149.13242	7.3
149.94022	3.3
153.12744	10.0
155.08630	3.4
156.09378	4.8
157.10150	15.3
163.11176	23.0
165.06975	6.7
169.10190	4.4
171.08084	4.8
171.11678	11.4
177.09102	4.6
180.09361	3.6
181.12244	73.9
185.09590	7.0
185.13318	7.3
195.10132	3.7
195.11737	12.2
195.13829	10.3
198.10286	3.4
213.05415	4.1
213.09062	6.4
213.11099	2.9
213.12869	27.6
213.14767	3.9
213.16415	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1485
Annotation	(-)Helicascolide B
Peak:m/z	Relative Intensity
53.03941	1.5
53.48894	0.7
55.01627	1.0
55.01867	10.3
55.05511	46.0
57.03422	1.5
57.07061	1.3
59.04994	1.5
63.06745	0.6
65.03939	0.7
67.05504	18.3
69.03428	5.5
69.07067	10.0
69.99844	3.7
71.04992	45.0
73.06556	0.6
79.05495	12.0
81.06584	0.9
81.07055	20.6
83.04970	2.9
83.08617	30.1
85.06535	4.7
87.04469	6.7
91.05450	3.4
93.07043	13.2
95.08602	8.3
97.06529	65.6
97.10167	41.9
101.09647	1.7
105.07002	2.6
107.08591	13.6
108.07113	0.6
108.61308	0.9
109.06559	1.4
109.10153	13.1
111.08064	3.2
117.07016	3.2
119.08599	1.5
121.06527	0.8
121.10117	2.8
123.08058	0.7
123.11726	0.7
125.09628	27.0
126.43084	0.7
129.07033	0.8
131.08572	3.8
133.10127	3.5
135.08040	4.2
135.11703	4.1
142.07742	0.9
143.08548	1.4
143.10651	1.4
147.11693	1.2
149.13255	3.4
151.11127	1.0
153.09137	1.6
155.08594	0.8
156.09326	1.1
157.10118	1.7
159.11687	3.8
165.12686	0.9
167.07104	0.8
167.14301	1.1
171.07974	0.7
171.11652	1.4
177.12740	6.2
177.16359	1.1
189.11285	5.6
195.13794	35.2
213.09109	2.3
213.14830	100.0
214.15144	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	213.112
Annotation	Melazolide A
Peak:m/z	Relative Intensity
53.03938	3.3
55.01867	5.3
55.05519	8.2
56.96562	28.7
57.03426	4.6
57.07068	2.8
59.05002	2.3
61.02905	1.6
65.03934	2.4
67.05499	9.7
69.03423	9.9
69.07063	9.4
70.06590	20.8
71.04989	6.8
71.13345	3.7
72.08162	2.0
72.95965	1.4
73.02919	5.4
79.05497	17.3
81.03407	4.1
81.07057	20.0
83.04977	4.8
83.08617	4.8
84.08126	1.3
84.96048	3.9
85.02900	9.3
85.06549	5.3
86.09705	3.8
87.04447	1.8
88.07622	3.1
91.05482	27.1
92.68670	1.3
93.07042	26.1
95.04958	7.9
95.08600	20.4
97.02880	11.3
97.06519	3.7
97.10182	4.0
98.97575	18.9
99.04443	3.7
99.05566	1.4
99.08092	5.6
103.05467	5.1
105.03416	1.7
105.07024	24.7
107.04944	18.5
107.08591	54.9
109.02863	2.4
109.06525	12.7
109.10212	6.7
110.97555	3.4
111.04450	2.4
111.08084	5.4
115.05489	1.2
116.07094	2.3
116.98611	21.1
117.07001	2.2
119.04942	15.5
119.08588	8.1
121.06485	4.3
121.10139	100.0
122.06036	1.5
123.04382	2.6
123.08064	37.8
123.11704	3.2
125.05958	3.0
125.09613	11.8
127.03928	2.6
127.07545	1.3
127.52252	1.3
128.06235	3.2
128.98613	7.2
129.04468	1.2
129.07014	5.7
131.08560	11.9
133.10133	5.5
134.99661	16.4
135.04430	2.6
135.08076	12.4
135.11711	3.2
137.06003	2.4
137.09612	3.3
137.13283	1.9
139.07594	1.8
139.11232	1.7
140.00189	1.9
141.06987	2.6
142.07785	8.4
143.08571	4.4
145.02902	1.8
145.10124	2.6
146.99646	13.2
147.04408	11.5
147.08026	1.9
147.11674	1.7
148.04823	1.7
148.97351	5.2
149.06120	1.5
149.09612	68.0
149.13254	1.5
151.07571	4.1
151.11179	2.0
153.00739	3.0
153.05484	2.2
153.09142	4.6
155.08519	2.9
155.97633	1.4
156.09335	2.3
157.06532	2.8
157.10120	7.6
158.01292	1.5
158.99709	7.4
159.08049	3.8
161.01306	7.6
161.02681	1.4
163.07501	6.3
165.00723	3.0
165.05666	1.6
165.06984	3.2
167.07054	29.1
167.08446	2.7
167.10669	18.4
169.08629	25.2
169.10057	3.1
170.99545	2.1
171.08035	3.5
171.11696	2.3
172.05305	2.4
175.03885	20.2
177.00706	12.1
177.09105	95.6
177.16385	15.8
179.02293	1.9
180.07648	1.9
180.09291	3.0
181.05901	1.8
181.55913	1.4
182.05824	1.7
184.05763	2.5
185.09569	6.5
185.13280	4.5
189.00697	1.4
189.97701	2.1
190.06308	2.5
190.98730	1.6
192.04179	1.9
193.06259	1.5
195.01851	1.3
195.06407	1.8
195.08313	1.9
195.10162	41.4
195.11769	5.9
195.13684	2.1
195.17456	2.4
198.06754	1.6
201.00664	1.7
207.06516	28.8
207.98749	2.3
208.06857	3.4
213.03894	1.5
213.05722	2.2
213.09126	19.9
213.11237	79.7
213.12663	8.2
213.16403	4.0
213.18533	1.8
214.06773	3.7
218.50597	1.3
219.01785	6.9
221.98347	1.7
222.04593	4.5
223.06253	1.5
233.55498	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	213.1123
Annotation	Melazolide A
Peak:m/z	Relative Intensity
50.72337	1.9
53.03944	10.6
55.01860	10.7
55.05510	22.4
56.96561	16.7
57.03442	4.7
57.07054	4.1
59.04994	2.1
60.04517	4.4
61.02897	3.5
65.03954	3.0
67.05505	11.5
68.04966	2.1
69.03436	12.4
69.07057	12.9
69.76814	15.5
70.06596	24.4
71.04989	7.7
72.08156	3.2
72.93773	6.5
73.02925	4.5
79.05055	3.6
79.05495	44.4
81.03432	14.6
81.04524	3.0
81.07053	30.7
83.04970	9.1
83.06086	4.2
83.08633	3.9
84.08169	2.4
85.02903	8.4
85.06553	3.5
86.09693	7.5
88.07625	6.8
89.03873	2.2
90.94821	3.6
91.05479	28.7
93.07040	48.7
95.04974	23.7
95.08591	11.6
97.02888	8.7
97.06525	16.0
97.07652	3.4
98.06033	3.5
98.20834	4.1
98.97601	13.0
99.04449	8.5
103.05471	4.4
105.07031	32.6
107.04959	67.0
107.08595	47.9
109.02869	4.5
109.06478	13.2
109.10156	6.7
110.97557	2.6
111.04436	6.2
111.08102	4.8
115.03947	3.4
116.07096	3.4
116.98603	16.3
117.07030	4.9
119.01896	3.8
119.04952	3.4
119.08596	36.7
121.06504	10.5
121.10138	53.2
121.10915	4.1
123.04442	25.8
123.08078	17.1
123.11722	7.1
124.05108	2.2
125.02370	14.5
125.06004	26.6
125.06922	4.1
125.09657	6.0
127.03927	9.1
128.06241	3.7
128.98717	2.9
129.06976	4.7
130.96326	5.3
131.08565	33.4
133.10133	5.7
134.99625	12.8
135.04393	21.8
135.08028	16.5
137.05986	6.7
137.09662	3.5
139.03908	4.7
139.07547	3.2
139.11212	4.7
140.03592	3.5
140.04678	70.7
141.05478	23.0
143.03400	7.2
143.08553	8.5
146.99666	5.3
147.04431	3.7
147.08047	21.2
148.97366	20.6
149.01250	2.5
149.06082	2.7
149.09619	100.0
150.04330	3.2
150.05489	2.3
151.03922	3.1
151.07558	5.9
151.11235	4.8
152.04756	2.8
153.00676	2.5
153.05476	39.2
153.09125	8.1
155.05779	3.2
155.07039	44.5
155.08427	5.0
157.06528	3.7
157.10097	6.8
158.99666	3.6
159.08055	6.5
161.02888	2.7
163.03911	46.2
163.05214	3.5
163.07527	5.8
165.05484	3.1
165.06918	4.5
165.09117	21.2
165.97765	2.5
167.03369	3.2
167.07048	34.0
167.08447	4.0
167.10704	17.7
169.10046	3.1
171.08023	3.7
171.11671	2.8
172.03891	5.2
173.08102	6.3
177.00699	12.5
177.09111	52.5
177.16420	2.9
180.09346	4.4
181.04523	3.3
185.09569	2.9
185.13304	7.9
189.97623	5.5
193.06223	15.6
195.06522	6.6
195.08340	4.1
195.10164	61.9
195.11716	7.2
195.13803	5.0
195.20912	2.2
201.06003	3.8
202.06746	10.3
204.57179	3.1
207.06427	3.0
207.98663	3.9
213.05580	5.1
213.07527	10.2
213.09181	9.6
213.10881	30.7
213.12791	15.3
213.16457	4.3
213.57600	2.9
215.68492	3.2
219.01958	2.5
223.02785	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	213.1122
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
53.03946	1.0
54.04285	0.4
55.01860	1.1
55.05506	0.9
56.96553	1.2
67.05495	1.2
69.03415	1.4
69.07060	0.7
69.71574	3.0
70.06593	6.6
71.04984	0.9
71.57052	0.4
72.08152	1.9
75.11117	0.4
78.04704	2.0
79.05494	8.6
81.03448	0.4
81.07057	1.8
83.04990	0.4
83.08572	0.4
85.02902	0.8
85.06547	0.7
86.08488	0.5
86.09686	1.2
88.07623	0.4
91.05476	4.6
93.03380	0.6
93.07030	1.9
95.04958	3.4
95.08629	0.8
96.04501	0.5
97.02876	0.8
97.06521	0.4
98.97566	1.8
99.04448	0.6
103.05463	6.4
105.07021	6.0
106.04179	1.6
106.99191	0.5
107.04955	53.2
107.08607	2.9
109.06552	0.9
111.04438	0.5
113.06026	0.4
115.05418	3.0
116.07094	1.0
116.26259	0.4
116.98618	1.4
117.07001	1.2
119.01863	0.4
119.04942	1.3
119.08620	1.0
120.05705	1.7
121.06532	0.6
121.10119	1.4
123.04432	5.1
123.08053	0.6
124.05201	3.5
125.06008	1.2
125.09602	0.6
128.06175	0.5
129.07111	0.4
130.09506	0.4
131.04932	2.7
131.08583	0.9
133.06462	0.6
134.99652	0.8
135.08057	14.2
135.11685	0.5
137.06003	1.4
139.03812	0.5
140.10735	0.4
142.07797	1.2
143.08565	1.0
145.07625	1.2
147.04404	0.8
148.97325	0.8
149.05974	1.0
149.09633	1.9
151.03923	1.5
152.04701	2.1
153.05426	0.5
153.09119	0.7
154.06238	2.3
154.07588	0.7
156.10255	0.6
157.10126	0.9
158.06407	0.4
163.07542	28.8
165.05499	0.9
167.07043	100.0
168.07433	1.0
169.10205	0.6
177.00729	0.8
177.09114	1.5
180.07829	2.5
181.08578	0.9
185.09630	0.7
185.13290	0.8
189.97612	0.6
195.10159	18.0
195.11615	1.2
213.09099	3.0
213.11230	5.9
213.12975	1.0
213.16457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.0
54.04285	0.4
55.01860	1.1
55.05506	0.9
56.96553	1.2
67.05495	1.2
69.03415	1.4
69.07060	0.7
69.71574	3.0
70.06593	6.6
71.04984	0.9
71.57052	0.4
72.08152	1.9
75.11117	0.4
78.04704	2.0
79.05494	8.6
81.03448	0.4
81.07057	1.8
83.04990	0.4
83.08572	0.4
85.02902	0.8
85.06547	0.7
86.08488	0.5
86.09686	1.2
88.07623	0.4
91.05476	4.6
93.03380	0.6
93.07030	1.9
95.04958	3.4
95.08629	0.8
96.04501	0.5
97.02876	0.8
97.06521	0.4
98.97566	1.8
99.04448	0.6
103.05463	6.4
105.07021	6.0
106.04179	1.6
106.99191	0.5
107.04955	53.2
107.08607	2.9
109.06552	0.9
111.04438	0.5
113.06026	0.4
115.05418	3.0
116.07094	1.0
116.26259	0.4
116.98618	1.4
117.07001	1.2
119.01863	0.4
119.04942	1.3
119.08620	1.0
120.05705	1.7
121.06532	0.6
121.10119	1.4
123.04432	5.1
123.08053	0.6
124.05201	3.5
125.06008	1.2
125.09602	0.6
128.06175	0.5
129.07111	0.4
130.09506	0.4
131.04932	2.7
131.08583	0.9
133.06462	0.6
134.99652	0.8
135.08057	14.2
135.11685	0.5
137.06003	1.4
139.03812	0.5
140.10735	0.4
142.07797	1.2
143.08565	1.0
145.07625	1.2
147.04404	0.8
148.97325	0.8
149.05974	1.0
149.09633	1.9
151.03923	1.5
152.04701	2.1
153.05426	0.5
153.09119	0.7
154.06238	2.3
154.07588	0.7
156.10255	0.6
157.10126	0.9
158.06407	0.4
163.07542	28.8
165.05499	0.9
167.07043	100.0
168.07433	1.0
169.10205	0.6
177.00729	0.8
177.09114	1.5
180.07829	2.5
181.08578	0.9
185.09630	0.7
185.13290	0.8
189.97612	0.6
195.10159	18.0
195.11615	1.2
213.09099	3.0
213.11230	5.9
213.12975	1.0
213.16457	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03928	2.9
55.01851	3.9
55.05507	10.0
55.62698	2.2
56.05035	2.8
56.96563	19.4
57.03429	2.1
57.07066	4.5
58.34294	1.9
59.06104	2.9
60.04512	3.0
60.48573	2.0
61.02917	13.8
65.03930	9.0
67.05495	14.8
69.03408	6.1
69.07074	10.4
70.06317	1.8
70.06596	21.3
70.94247	3.5
71.04987	3.1
71.08605	2.7
71.22211	3.0
71.22544	3.7
72.08154	11.8
72.08478	2.1
75.05573	2.3
79.05493	26.1
81.03431	2.4
81.07045	9.5
83.04983	4.1
83.06103	3.0
83.08615	3.9
85.02896	5.0
85.06535	2.6
86.09686	9.2
88.07633	5.7
88.95275	3.2
89.03082	2.1
90.94807	3.1
91.05461	9.4
93.03411	5.6
93.07026	9.4
95.04953	11.1
95.08603	5.9
97.02866	2.8
97.04011	2.4
97.06516	4.6
98.97576	8.0
105.07019	7.2
107.04959	35.9
107.08570	9.0
109.02884	4.2
109.10142	2.7
110.03657	24.0
110.07183	2.5
111.04430	24.7
111.05574	3.0
111.07990	2.1
114.06636	2.7
114.96953	2.1
116.07076	4.8
116.98599	9.7
119.08563	3.6
121.06526	12.1
121.10085	6.0
122.03633	6.6
123.04416	4.2
123.11675	2.1
125.05991	70.1
126.06564	2.1
127.03887	3.4
128.06181	3.4
129.06975	4.4
130.96286	6.4
133.02831	14.4
133.10100	2.3
134.99660	4.0
135.04402	26.4
135.08009	2.7
137.05991	7.5
139.03877	2.5
140.04663	2.5
141.05464	5.5
142.07816	4.3
142.81828	2.0
143.08545	10.2
148.97346	21.7
149.05991	29.2
149.09604	3.5
150.00774	2.4
150.03094	10.5
151.03908	100.0
151.05013	9.8
153.05476	16.2
153.09048	2.8
155.08507	5.7
157.06418	3.6
157.10086	10.7
159.11661	4.1
162.03122	2.3
163.03886	10.7
165.05504	43.0
165.06898	6.1
167.05339	9.1
167.07034	25.6
167.10646	3.0
169.10051	3.4
171.08041	3.8
171.11662	3.5
171.99011	2.5
174.00697	5.7
177.00729	3.7
177.05453	23.6
177.09137	3.7
177.16432	3.3
180.09302	5.8
185.05916	2.6
185.13150	6.0
188.92365	2.3
189.01935	4.3
189.97629	5.4
195.04787	9.2
195.06531	19.1
195.10204	2.4
195.11728	15.0
195.13315	2.8
195.15988	2.2
207.98701	6.2
208.01224	2.1
213.05550	6.9
213.07483	9.1
213.09251	7.3
213.12738	29.8
213.16267	8.6
213.18262	2.6
217.32281	2.1
228.54654	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	213.0758
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
52.98853	1.1
53.03931	2.3
54.67253	1.2
55.01860	2.6
55.05497	5.0
56.05030	2.2
56.96556	11.3
57.03437	1.1
57.07054	1.8
59.06111	1.9
60.04518	1.7
61.02930	9.9
65.03938	6.6
67.05492	6.1
69.03431	2.5
69.07051	5.7
69.87509	6.7
70.06598	6.5
70.06898	1.1
70.09888	1.3
71.01362	1.4
71.05000	2.4
71.95220	1.1
72.08162	8.4
73.02917	3.1
75.02870	0.9
79.05482	19.8
81.03423	2.7
81.07041	4.6
82.06567	1.4
83.04980	2.1
83.08643	1.7
84.04494	2.4
84.08145	1.3
85.02900	3.4
85.06522	2.2
86.06047	1.5
86.09698	5.1
88.07622	3.6
91.05463	7.8
93.03398	2.9
93.07055	5.7
95.04972	7.9
95.08604	5.5
97.02905	3.0
97.06524	2.0
98.09612	1.2
98.97578	3.3
99.05588	2.7
105.03386	1.6
105.07025	2.9
107.04288	2.4
107.04954	27.0
107.08596	4.9
108.02050	2.1
109.02860	2.3
109.06511	3.3
110.02978	1.9
110.03665	22.5
111.04433	17.8
111.05593	1.8
111.08081	1.5
113.07138	1.3
115.22804	1.2
116.98636	2.7
119.01912	2.2
119.04963	2.1
119.08575	1.9
121.06508	9.6
121.10166	2.8
122.03633	5.1
123.04387	2.3
124.05098	1.1
125.05991	60.9
125.06957	2.9
128.06229	2.1
129.07008	2.6
130.96286	2.9
131.01874	1.6
131.08623	2.3
133.02844	11.8
134.99667	4.9
135.04416	25.3
137.06007	5.6
138.06592	1.4
139.03816	1.6
139.07547	1.6
140.04721	2.3
141.05463	5.2
141.06880	1.6
142.07797	3.4
143.07048	1.5
143.08559	5.3
146.99673	1.8
148.97354	12.4
149.05986	21.4
149.09634	2.2
150.00700	2.4
150.03113	11.1
151.03906	100.0
151.05019	8.6
152.08237	1.5
153.05467	15.9
154.06166	2.3
155.04701	2.4
155.07162	1.4
155.08540	2.9
157.06435	2.4
157.10081	4.5
163.03871	9.1
165.05493	41.3
165.06892	2.8
167.07037	24.8
167.97150	1.6
171.07982	2.9
171.11670	1.6
174.00688	2.1
177.00670	1.7
177.05464	22.3
177.16344	1.4
180.09386	2.4
181.04892	2.8
185.13240	3.8
189.01819	3.0
189.97729	3.4
195.04826	1.6
195.06509	17.9
195.10274	2.2
195.11716	5.4
198.10400	1.4
207.98671	2.1
208.01279	1.4
213.05531	5.0
213.07570	9.0
213.09361	3.0
213.12662	11.5
213.16356	4.3
221.05142	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	213.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.5
55.01870	2.6
55.05513	14.4
56.05019	1.0
56.96565	63.3
57.03449	4.9
57.07067	1.0
58.06596	1.1
58.96154	0.9
59.04998	1.0
59.06119	0.8
60.95848	0.7
61.01143	3.4
61.02925	5.0
67.04211	0.7
67.05499	2.4
69.03435	7.3
69.07070	1.9
69.63287	5.2
70.02972	0.9
70.06593	7.7
70.94261	0.8
70.98089	1.2
71.01328	1.2
71.04990	2.0
71.95244	1.6
72.04507	1.2
72.08128	1.3
72.93774	1.7
73.02921	9.3
73.06554	10.4
74.00658	1.2
74.06070	0.7
74.97607	2.7
79.05485	3.2
80.05000	1.9
81.03403	3.6
81.07050	2.6
83.04984	1.8
83.06092	1.0
83.08622	1.7
84.04502	1.3
84.08134	2.0
84.96033	5.4
85.02912	11.8
86.06059	0.9
86.09721	1.1
87.04450	1.6
88.07613	1.4
91.03952	0.8
91.05466	2.3
92.01308	0.9
92.03106	1.4
93.07053	1.5
94.06581	1.6
95.04970	2.9
95.08596	1.0
97.02899	10.8
97.06519	1.4
97.96792	1.2
98.01284	1.2
98.03201	0.8
98.07161	1.1
98.96929	1.8
98.97581	37.6
99.04450	2.1
99.08128	0.8
100.02210	11.1
100.07642	0.8
100.99149	1.7
102.97015	1.0
103.05470	0.8
105.07037	1.4
107.04963	2.7
107.08611	1.3
108.04468	2.0
109.02866	2.6
109.06516	0.8
110.01263	1.3
110.03070	0.9
110.06029	5.8
110.07175	1.6
110.97578	4.0
111.04465	0.8
112.02834	0.9
113.03504	1.9
113.96440	1.9
116.00178	0.9
116.07092	1.9
116.98624	40.5
117.01849	1.0
117.03845	2.2
117.98888	0.8
118.01058	1.2
119.00188	2.6
119.01791	6.3
119.03638	1.7
119.04954	2.1
119.08601	1.1
120.02123	0.7
120.05770	0.9
121.01551	1.4
121.06533	1.9
121.07650	2.0
121.10152	1.1
122.06025	3.0
123.04408	2.5
123.06774	3.8
125.03576	0.8
125.09573	1.0
127.03912	3.5
128.02319	4.9
128.98613	11.2
129.02171	1.2
129.51814	2.1
131.00179	1.9
131.01898	2.2
131.08554	0.9
131.97472	2.2
132.00806	1.0
133.01685	0.9
133.03351	1.1
134.99670	32.7
135.04390	1.0
135.08057	1.0
136.03893	1.5
137.02841	2.4
137.06007	1.8
137.98378	1.4
139.07561	0.8
140.00232	1.8
140.07068	100.0
141.01247	1.2
141.07439	6.1
143.00194	4.1
143.08556	2.8
144.98094	1.3
145.01735	3.3
146.04085	6.8
146.99660	15.0
147.03267	5.9
147.04437	2.6
148.03893	2.5
148.97409	4.7
149.01215	3.3
149.02785	1.5
149.05969	1.8
149.07074	11.0
149.09612	1.0
150.00697	1.8
150.05460	6.3
152.07149	1.2
153.00671	5.2
153.05473	1.9
153.09059	1.0
155.04652	96.3
155.54834	9.9
157.10152	2.1
158.01318	1.8
158.99663	12.7
161.01218	14.0
162.01793	1.1
162.03497	1.0
162.99135	2.3
163.02798	7.4
163.04048	1.1
164.05180	43.0
164.55336	5.9
165.00700	4.9
165.04358	7.2
165.05586	1.1
165.06961	1.3
166.05000	5.4
166.55461	19.3
167.05696	1.4
167.06975	1.9
167.08076	1.7
168.01785	1.0
168.03662	1.7
169.10161	1.1
170.01303	1.2
170.99663	3.8
172.95288	1.2
172.97594	1.0
173.01257	1.7
174.00735	2.8
175.55919	4.5
177.00714	18.9
177.02200	1.1
177.06522	4.3
177.09012	1.1
178.05037	1.8
179.02312	2.6
179.04678	5.2
179.54520	2.4
181.00237	1.1
181.03770	1.3
182.08141	4.0
183.01701	1.4
184.02838	1.9
185.13260	1.5
188.05151	1.7
188.54906	1.5
189.00606	4.8
189.02182	1.0
189.04234	1.5
189.97697	1.4
190.00522	0.9
190.03865	2.2
190.55411	1.3
190.98642	2.6
191.02213	2.2
192.03636	1.0
192.53416	2.4
195.01794	2.4
195.08353	2.8
195.11722	3.1
196.02620	0.9
200.02370	1.5
201.00706	1.4
201.04283	5.2
201.05942	1.3
201.53914	31.2
202.04030	2.2
203.04013	1.1
207.01588	1.3
207.98802	1.0
208.01370	1.4
208.99701	3.0
209.03345	0.9
210.54483	2.4
211.04539	1.0
213.04697	6.3
213.06966	1.7
213.08914	4.8
213.12602	8.4
213.16135	2.6
214.03851	1.9
219.01764	5.1
223.01195	1.1
228.01877	1.1
231.05299	1.3
232.04845	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	212.1282
Annotation	Metaproterenol
Peak:m/z	Relative Intensity
53.03932	0.2
55.01876	0.8
55.02096	0.2
55.05498	0.3
55.10641	0.1
56.05026	0.3
56.96564	10.7
57.03437	4.2
58.96115	0.2
58.99854	0.2
59.04989	0.4
61.02926	6.6
61.21382	0.1
65.03921	0.2
67.05495	0.4
68.05018	0.2
68.99751	0.2
69.03078	0.2
69.03429	2.9
70.06598	0.7
70.06928	0.2
70.14884	0.4
70.15299	0.3
70.98100	0.3
71.01334	0.2
71.04997	1.2
71.95267	1.1
72.04498	0.3
72.96030	0.3
73.02911	2.8
74.97592	0.4
75.04456	0.6
77.00866	0.2
79.05482	0.4
80.00276	0.1
80.05009	5.3
81.03433	1.0
81.07063	0.2
82.06582	1.0
83.00772	0.4
83.01265	0.2
83.04980	0.4
83.06092	0.2
84.04491	0.3
84.08154	0.7
84.96013	0.6
85.02909	4.7
85.06519	0.3
86.03216	0.3
86.06033	0.2
87.00827	0.2
87.04465	0.8
88.99142	0.3
89.00777	0.4
91.03931	0.4
91.05479	0.6
92.01275	0.5
93.03352	0.2
93.05767	0.1
93.07040	0.3
94.06565	3.8
95.01321	0.3
95.04961	0.2
95.07337	0.2
96.08096	0.2
97.02881	2.9
98.01279	0.7
98.06058	0.2
98.97584	3.4
99.02102	0.2
99.04452	0.7
100.02516	0.2
101.00845	0.7
102.02327	0.2
102.05513	0.1
103.00446	0.2
103.02396	0.4
103.03228	0.2
104.01266	0.4
105.00349	0.2
105.02027	0.2
106.01034	0.2
106.06538	0.3
107.01817	0.3
107.04940	0.2
107.08548	0.2
108.08122	1.0
109.02856	0.7
109.06499	0.5
109.07615	0.5
110.01257	0.8
110.02065	0.2
110.05967	0.2
110.09748	0.2
110.97614	0.6
111.00220	0.3
111.02049	0.2
111.02896	0.5
111.04436	0.6
112.00982	0.2
112.02814	0.2
113.00842	0.3
113.02395	1.0
115.02406	0.7
115.03142	0.1
116.00198	0.2
116.01243	0.2
116.98618	3.7
117.01931	0.4
117.02811	0.1
117.03994	0.2
117.07024	0.8
118.01035	0.4
118.03546	0.3
119.01889	4.4
119.04900	0.2
119.07307	0.6
120.00748	0.4
120.01997	0.3
120.03358	0.2
120.08096	0.6
121.01608	0.4
121.03499	0.3
121.06472	0.3
122.02263	0.2
122.06021	0.4
122.53719	0.1
123.02950	0.3
124.07680	0.3
124.08698	1.7
124.99995	0.1
125.01781	0.3
125.05975	0.6
127.01488	0.7
127.02408	0.3
127.03964	1.4
128.02293	1.8
128.98590	1.4
129.02856	0.2
129.03947	0.2
130.52556	0.4
131.00174	0.4
131.01878	1.8
131.08560	0.2
132.00706	0.3
132.01961	0.2
132.08061	0.6
133.01653	0.4
133.03430	1.5
133.04282	0.2
134.01320	0.2
134.02251	0.3
134.03493	0.2
134.06009	0.5
134.09645	14.4
134.99655	2.2
135.01237	0.2
135.03072	0.5
135.05017	0.5
135.10405	0.3
136.00848	0.1
136.01981	0.2
136.04720	0.3
136.07581	1.6
137.02896	1.3
137.05927	0.2
138.02573	0.1
139.02405	0.2
139.53151	0.2
140.00180	0.2
140.02295	0.5
140.03246	0.2
140.05009	0.8
141.01237	0.3
141.03012	0.3
142.03471	0.2
142.96530	0.6
143.00128	0.3
143.01895	1.0
144.01982	0.1
144.03578	0.4
144.99800	0.5
145.02472	0.2
145.03448	1.4
145.04944	0.5
146.02266	0.4
146.03481	0.3
146.09590	0.4
146.99631	2.6
147.01390	0.5
147.02994	0.2
147.03996	0.3
147.04997	0.2
148.02010	0.2
148.03778	1.0
148.04836	0.2
148.07533	0.5
148.11200	0.7
148.53992	0.1
149.01201	0.5
149.02940	0.8
149.05972	1.2
149.10794	0.2
150.05472	1.3
151.02609	0.2
151.04486	0.4
152.02225	0.3
152.03259	0.3
152.07065	0.4
152.10699	13.5
153.00673	0.3
153.05473	1.3
153.07664	0.1
154.02939	0.4
154.08615	1.7
155.01814	0.4
155.02870	0.5
157.02498	0.5
157.03471	0.5
157.04459	0.5
158.01202	0.2
158.03352	0.2
158.99625	0.8
159.01341	0.3
160.02957	0.2
160.04659	0.2
160.97621	1.0
161.01199	0.7
161.02907	2.5
162.03442	0.2
162.99121	0.4
163.00929	0.1
163.04515	0.5
163.06064	0.1
165.00694	0.8
166.03072	0.3
166.05034	0.2
166.08578	1.5
166.09785	0.3
168.10164	0.4
168.99806	0.5
169.02412	0.2
170.03355	0.3
170.09258	0.3
170.99634	0.6
171.01276	0.3
171.04865	0.2
172.04524	0.3
173.01328	0.3
173.02969	1.5
173.06711	0.2
174.99126	0.3
175.04491	0.6
176.04572	0.1
176.07083	0.5
176.10625	0.4
177.00682	1.5
177.02399	0.6
178.08659	0.3
178.98647	0.3
179.02252	0.3
182.03294	0.6
184.04503	0.2
185.01512	0.2
185.02943	0.9
186.03043	0.2
186.99310	0.2
187.00832	0.6
187.04527	0.3
188.97072	3.8
189.00668	2.4
189.02440	0.7
189.03938	0.2
189.06021	0.3
190.05496	0.2
190.98619	0.2
191.00377	0.2
191.02312	0.2
191.03918	1.0
192.10190	1.1
193.00227	0.5
194.08110	0.8
194.11755	8.7
195.01730	0.2
195.06479	0.8
198.00777	0.2
199.04535	0.3
200.04410	0.6
201.00671	0.8
201.02490	0.3
201.06061	0.2
202.98601	0.2
203.02342	0.2
203.03973	0.9
204.04208	0.2
205.00179	0.2
205.01952	0.2
206.98128	3.5
207.01717	0.6
207.03510	0.4
211.55301	0.2
211.98647	0.5
212.12802	100.0
213.13155	1.2
215.03929	0.3
217.00172	0.3
217.02016	0.2
217.05670	0.2
219.01686	0.7
219.03604	0.2
220.99670	0.2
221.05048	1.0
222.05362	0.2
224.99124	0.4
229.99699	0.3
230.08623	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	212.1282
Annotation	Metaproterenol
Peak:m/z	Relative Intensity
53.03942	0.5
55.01881	2.3
56.96334	0.5
56.96567	6.3
57.03438	7.1
61.02933	5.3
64.56207	0.4
69.03429	5.8
70.06576	0.5
71.04991	1.3
71.57078	0.4
71.57460	0.7
73.02919	11.5
80.05011	5.6
81.03440	2.3
82.06590	0.5
83.00822	0.8
83.05003	0.7
84.96041	0.7
85.02907	13.7
91.03962	1.0
94.06583	3.3
97.02892	8.0
98.01323	1.0
98.03272	0.6
98.97585	14.7
99.04439	1.4
101.00816	1.4
102.01524	0.6
104.01281	1.7
105.84920	0.5
108.01521	0.7
109.02846	1.5
110.01286	2.6
110.97584	5.7
111.28032	0.5
116.01315	0.9
116.98619	10.0
117.02036	0.7
119.01825	8.4
119.07320	0.5
119.52018	0.5
123.02052	0.8
123.02923	0.5
124.08717	0.7
124.54395	0.5
125.01815	0.7
126.02605	0.7
127.03915	4.1
128.02332	4.5
128.98615	10.0
131.01794	2.2
132.08028	0.5
133.03433	0.6
134.02287	0.7
134.09662	12.3
134.99673	4.1
136.03572	0.6
137.01804	1.1
137.02831	1.8
138.03447	0.5
140.02299	1.8
140.03275	0.6
140.52490	0.7
140.98611	0.6
143.00133	1.6
143.01894	1.4
144.03471	1.3
145.04974	1.1
146.02292	3.9
146.52452	0.7
146.53616	0.5
146.99658	6.5
147.03970	0.6
149.02856	1.5
152.00233	0.6
152.02312	2.4
152.10712	10.1
152.98682	0.5
153.03992	0.7
154.08626	1.6
155.00169	0.6
155.01758	0.8
155.02826	4.0
158.99666	4.0
161.01289	1.2
161.02876	5.2
161.53052	0.9
165.00740	1.3
170.03351	1.7
170.53590	0.5
170.99658	4.6
173.01277	1.0
173.02931	3.2
174.04503	0.7
176.07520	0.5
177.00752	4.8
182.03346	2.1
182.99762	1.0
183.05035	1.6
185.02983	1.7
189.00732	9.0
189.02359	0.8
191.03917	4.2
192.05511	1.3
194.08199	0.5
194.11787	8.8
200.04443	1.9
201.00719	3.0
202.54855	0.6
203.04041	1.1
207.01790	1.6
209.04909	1.4
212.12817	100.0
212.85202	0.7
213.13148	0.7
219.01758	4.1
221.05179	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1692
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13385	1.0
53.03934	2.2
55.01857	4.1
55.05508	25.1
56.96550	2.4
57.03437	9.2
57.06824	1.1
57.07075	13.2
59.05003	26.6
65.03926	3.8
67.05504	40.5
69.03133	1.1
69.03429	11.6
69.07066	36.3
69.87591	2.5
69.87982	2.7
71.04996	17.4
71.08624	2.8
79.05494	15.3
81.03402	3.6
81.07056	63.1
83.04982	20.0
83.08202	1.4
83.08625	14.2
84.08134	1.2
84.44801	1.0
85.02897	9.0
85.06542	14.4
85.10170	1.2
91.05476	16.4
93.07045	43.6
95.04973	14.6
95.08607	82.1
96.08949	1.5
97.06532	9.6
97.10153	6.1
98.21465	2.2
99.04456	4.8
99.08084	6.4
102.29382	1.0
103.05436	1.5
105.06385	1.7
105.07030	25.8
107.08592	56.7
109.06526	23.9
109.10154	100.0
111.08083	23.7
111.11708	2.2
113.05984	4.4
113.35947	1.0
117.07010	1.3
119.04969	2.3
119.06054	2.0
119.08580	66.1
121.06482	3.1
121.10137	20.0
123.04440	6.2
123.08073	15.1
123.11710	45.7
125.09624	11.4
127.07527	2.4
131.08540	2.1
133.10130	37.6
135.08078	3.1
135.11691	70.1
137.05916	1.4
137.08664	1.6
137.09627	19.7
137.13220	3.5
138.05499	2.6
139.07513	2.2
139.11182	2.8
141.09044	1.2
147.11682	13.1
148.03925	2.9
149.09622	1.4
149.13258	11.9
151.07553	5.5
151.11176	24.4
151.14839	9.9
153.09152	2.9
153.12764	9.5
155.06982	1.0
155.08499	2.4
155.10602	5.9
163.14835	2.9
165.12770	7.8
165.16362	3.9
166.04990	18.3
166.12288	2.4
167.07048	5.0
169.10010	1.2
169.12180	1.2
175.11205	2.8
175.14822	43.6
179.07030	18.2
181.15842	1.6
183.08104	1.2
189.00888	1.1
193.12206	10.6
193.15891	28.4
194.04506	8.2
194.11702	1.2
211.07713	1.6
211.09641	3.5
211.13268	41.9
211.16907	36.0
211.18979	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.3
55.05512	22.6
57.03432	6.6
57.07066	6.3
57.97498	1.3
59.05001	2.6
62.20433	1.5
65.03937	2.0
65.56804	1.5
67.05505	25.5
69.03421	8.4
69.07068	26.6
71.04996	5.0
71.08625	2.7
71.48125	3.6
73.02921	2.9
75.76090	1.7
79.05496	7.2
81.03410	5.3
81.07056	36.4
82.07383	1.5
82.08695	1.7
83.04982	9.4
83.08612	13.0
85.06552	5.2
91.05477	10.6
93.07049	22.1
95.04967	7.8
95.08604	54.1
97.06532	5.6
97.10184	4.4
99.04449	1.8
99.08086	4.7
103.05495	1.7
105.07022	17.8
107.08595	34.0
109.06495	10.3
109.10154	94.6
110.06882	2.1
110.10548	1.9
111.08083	6.2
119.08586	40.4
121.10139	77.3
122.10447	1.9
123.04378	2.2
123.08067	16.0
123.11704	25.3
125.09615	8.0
131.08510	2.1
133.09119	2.5
133.10133	52.4
135.11687	40.7
137.09618	17.8
137.13242	12.7
139.11200	7.0
147.11739	7.3
149.09639	2.3
149.13254	23.2
151.11186	16.4
151.14825	11.3
152.11464	1.9
165.09082	1.9
165.12794	2.6
165.16373	13.7
167.07092	4.0
167.14322	3.7
169.15010	1.7
175.14824	78.3
176.15157	1.7
182.24837	1.7
193.12231	5.1
193.15894	100.0
196.12541	1.5
211.07666	2.1
211.13399	2.1
211.16965	38.1
212.09175	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03937	5.2
55.01864	10.7
55.05508	56.2
56.96563	17.1
57.03437	12.6
57.07075	10.2
57.71680	1.9
59.05004	9.7
65.03922	4.3
67.05499	64.7
67.95026	1.8
69.03424	18.3
69.07065	48.6
69.40896	12.9
69.41306	3.5
69.62749	1.8
71.01354	2.4
71.04990	47.0
71.08600	2.2
73.06540	3.7
79.05491	43.4
81.03415	89.1
81.07050	96.2
83.04977	53.8
83.08613	44.2
84.95959	2.2
85.02897	8.4
85.06540	24.4
91.05478	46.8
93.07037	67.6
95.04964	49.3
95.08601	92.2
97.02879	5.9
97.06528	28.2
97.10158	16.0
97.99171	2.6
98.20740	2.4
99.04451	26.5
99.08102	10.9
101.06011	2.1
103.05437	2.9
105.07030	42.5
107.04936	10.0
107.08588	64.8
109.06503	24.7
109.10152	100.0
111.04427	8.5
111.08079	24.8
111.11732	4.4
113.05977	9.2
113.09643	3.1
115.05437	2.8
115.07571	14.8
116.00208	3.4
116.98637	1.7
117.07024	2.4
119.04965	2.3
119.06036	1.5
119.08575	72.7
121.06527	4.5
121.10128	27.9
122.09667	3.6
122.10488	2.9
123.04415	5.8
123.08060	18.7
123.11697	51.7
124.03950	2.0
124.12034	2.1
125.09631	16.3
127.07568	5.5
127.11182	6.1
128.00780	32.5
129.06985	12.5
131.08556	11.8
133.06494	5.3
133.10124	54.9
134.10477	2.9
135.08093	2.7
135.11681	98.5
137.05978	10.4
137.08633	3.1
137.09604	25.7
137.13263	4.4
139.11176	4.0
141.09097	5.8
141.12766	3.2
142.07794	3.8
145.10043	2.0
147.08046	4.3
147.11676	28.2
147.92503	1.8
149.09630	9.9
149.13246	18.1
151.03848	2.5
151.07541	5.1
151.11200	9.1
151.14813	8.3
152.06992	4.3
153.07010	2.7
153.12746	21.7
155.08539	4.3
155.10681	6.8
157.10114	16.5
165.12737	11.2
165.16382	3.6
166.08678	2.5
167.07042	19.9
167.10469	1.8
167.14415	2.5
169.10133	4.5
175.11227	20.1
175.14821	66.2
179.07013	5.2
181.16058	1.8
183.08154	2.1
183.11716	2.0
193.08545	2.2
193.12236	53.8
193.15912	34.5
194.08150	2.0
211.05704	7.6
211.07523	3.9
211.09558	3.9
211.11298	4.6
211.13156	29.4
211.14902	6.5
211.16908	56.2
211.18851	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	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03932	3.3
54.00137	1.1
55.01880	9.4
55.05513	54.5
56.96558	7.5
57.03437	14.7
57.07075	12.0
58.16594	1.2
59.05000	7.8
65.03921	3.7
66.62943	1.2
67.05507	63.9
69.03427	18.9
69.07069	44.7
69.68025	8.7
70.06580	1.1
71.01342	1.8
71.04995	27.6
71.08621	2.0
73.06527	1.4
79.05495	45.2
81.03421	86.7
81.07059	89.1
82.03738	1.4
83.04984	53.8
83.08620	46.3
84.96022	1.9
85.02907	10.8
85.06068	1.7
85.06546	21.5
90.03435	2.9
91.05482	46.7
93.07046	61.5
95.04976	44.1
95.08608	100.0
96.08933	1.8
97.02868	3.2
97.06528	19.7
97.07544	1.3
97.10175	12.0
97.99184	1.7
98.97605	2.1
99.04454	9.4
99.08110	7.4
100.99723	2.2
101.06013	1.9
101.09666	1.2
103.05462	1.3
105.07037	42.4
107.04939	7.4
107.08600	53.3
108.08897	1.3
109.06515	21.2
109.10158	74.3
110.06844	1.7
110.10494	1.9
111.04434	6.1
111.06987	1.4
111.07185	1.4
111.08087	26.0
111.11716	3.8
113.06013	4.1
113.09631	2.7
115.05498	2.5
115.07597	2.1
116.00197	3.4
116.98640	1.6
117.07005	2.5
119.04940	2.3
119.08584	75.6
121.06509	3.5
121.09316	1.9
121.10147	27.4
123.04420	3.6
123.08051	18.4
123.11708	38.1
125.09629	14.1
127.07568	2.6
127.11185	4.8
128.00778	73.8
129.07024	10.2
131.08575	13.3
133.06503	4.4
133.09137	2.2
133.10135	42.5
134.99640	1.4
135.08026	1.5
135.11697	64.0
137.05969	3.8
137.08690	1.3
137.09613	25.3
137.13239	1.8
139.07492	1.8
139.11166	2.9
141.09119	1.6
142.07756	3.3
143.01982	1.2
145.10094	1.6
146.01837	1.8
147.04428	1.4
147.08032	5.8
147.11693	25.8
149.09592	7.3
149.13260	11.4
151.07536	4.3
151.11200	11.3
151.14841	10.8
153.12746	14.8
155.07063	1.3
155.08528	3.6
155.10655	6.2
157.10126	17.4
163.14804	3.5
165.09103	3.7
165.12811	8.3
165.16434	5.5
166.08670	1.7
167.07066	26.9
167.14363	2.3
169.10094	2.8
175.11217	18.4
175.14833	42.0
176.15086	1.8
179.07039	7.1
181.15915	2.7
183.08041	1.8
183.11699	1.8
193.04895	1.7
193.08650	2.6
193.12254	57.4
193.15930	28.3
196.12529	1.5
211.05658	13.5
211.07500	2.0
211.09476	1.7
211.11295	3.3
211.13272	28.3
211.14990	3.0
211.16927	40.8
211.19016	2.0
212.09349	1.4
212.16397	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.1
55.01870	7.6
55.05509	52.9
56.96572	3.7
57.03443	11.7
57.07076	9.0
59.04998	9.2
65.03933	2.6
65.20338	1.2
67.05502	49.2
69.03429	30.3
69.07063	28.7
69.30543	6.6
69.30968	9.6
70.06589	2.0
71.04990	16.2
79.05063	2.4
79.05494	36.9
81.03416	100.0
81.07051	66.9
82.07391	1.9
83.04979	55.8
83.08138	2.7
83.08615	36.5
85.02901	6.0
85.06539	12.3
87.04475	9.5
91.05479	37.9
91.06011	2.7
93.07038	38.9
95.04967	43.0
95.08604	52.9
96.08138	1.8
97.02890	4.3
97.06528	13.5
97.10173	9.3
99.04452	4.8
99.08093	4.5
100.34911	1.6
101.06052	2.7
103.05341	1.6
105.03423	1.6
105.07026	34.5
107.04950	6.9
107.08591	37.1
108.08916	1.4
109.06523	15.6
109.10149	44.3
109.10900	2.3
111.04448	3.9
111.08084	23.3
113.05970	2.8
115.05496	2.6
117.05376	1.4
117.07025	3.3
119.04976	2.2
119.06084	2.2
119.08579	48.9
120.09784	1.6
120.16592	1.4
121.06500	3.7
121.10147	23.0
123.04420	4.1
123.08059	15.7
123.11711	32.8
124.07584	4.5
125.06065	1.9
125.09613	24.6
125.13271	2.1
127.03939	2.2
127.07554	3.4
129.06999	12.3
129.09129	3.1
131.08549	13.8
133.06485	4.7
133.10127	28.3
135.08041	2.4
135.11690	37.7
136.42072	1.5
137.05991	2.4
137.09613	13.4
139.07573	1.7
139.11116	1.8
141.09041	2.0
142.07762	4.1
145.10085	3.6
146.23247	1.5
147.08051	5.7
147.11668	22.9
149.05951	1.7
149.09615	8.0
149.13260	7.0
151.07549	6.8
151.11183	9.1
151.13635	1.4
151.14813	3.6
152.07047	10.6
153.12778	4.2
155.08539	2.7
155.10640	3.5
157.10120	14.9
163.11185	1.6
165.09084	3.0
165.12732	9.2
165.16409	2.5
166.04997	2.3
166.12247	13.1
167.07054	9.1
167.10713	1.5
167.14345	4.1
169.10159	3.0
170.05754	2.9
175.11197	19.0
175.14838	22.5
179.07019	17.1
183.08078	2.9
193.08615	2.5
193.12239	50.9
193.15900	16.6
193.17657	3.6
194.04474	1.9
194.08160	5.5
194.11694	1.7
194.18658	1.8
211.05939	1.9
211.07733	2.9
211.09659	3.9
211.11371	1.7
211.13239	39.0
211.14914	3.8
211.16917	20.9
211.18884	16.6
212.09149	4.4
212.16321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	alpha-Cyclogeraniol acetate
Peak:m/z	Relative Intensity
53.03938	4.1
55.01870	7.6
55.05509	52.9
56.96572	3.7
57.03443	11.7
57.07076	9.0
59.04998	9.2
65.03933	2.6
65.20338	1.2
67.05502	49.2
69.03429	30.3
69.07063	28.7
69.30543	6.6
69.30968	9.6
70.06589	2.0
71.04990	16.2
79.05063	2.4
79.05494	36.9
81.03416	100.0
81.07051	66.9
82.07391	1.9
83.04979	55.8
83.08138	2.7
83.08615	36.5
85.02901	6.0
85.06539	12.3
87.04475	9.5
91.05479	37.9
91.06011	2.7
93.07038	38.9
95.04967	43.0
95.08604	52.9
96.08138	1.8
97.02890	4.3
97.06528	13.5
97.10173	9.3
99.04452	4.8
99.08093	4.5
100.34911	1.6
101.06052	2.7
103.05341	1.6
105.03423	1.6
105.07026	34.5
107.04950	6.9
107.08591	37.1
108.08916	1.4
109.06523	15.6
109.10149	44.3
109.10900	2.3
111.04448	3.9
111.08084	23.3
113.05970	2.8
115.05496	2.6
117.05376	1.4
117.07025	3.3
119.04976	2.2
119.06084	2.2
119.08579	48.9
120.09784	1.6
120.16592	1.4
121.06500	3.7
121.10147	23.0
123.04420	4.1
123.08059	15.7
123.11711	32.8
124.07584	4.5
125.06065	1.9
125.09613	24.6
125.13271	2.1
127.03939	2.2
127.07554	3.4
129.06999	12.3
129.09129	3.1
131.08549	13.8
133.06485	4.7
133.10127	28.3
135.08041	2.4
135.11690	37.7
136.42072	1.5
137.05991	2.4
137.09613	13.4
139.07573	1.7
139.11116	1.8
141.09041	2.0
142.07762	4.1
145.10085	3.6
146.23247	1.5
147.08051	5.7
147.11668	22.9
149.05951	1.7
149.09615	8.0
149.13260	7.0
151.07549	6.8
151.11183	9.1
151.13635	1.4
151.14813	3.6
152.07047	10.6
153.12778	4.2
155.08539	2.7
155.10640	3.5
157.10120	14.9
163.11185	1.6
165.09084	3.0
165.12732	9.2
165.16409	2.5
166.04997	2.3
166.12247	13.1
167.07054	9.1
167.10713	1.5
167.14345	4.1
169.10159	3.0
170.05754	2.9
175.11197	19.0
175.14838	22.5
179.07019	17.1
183.08078	2.9
193.08615	2.5
193.12239	50.9
193.15900	16.6
193.17657	3.6
194.04474	1.9
194.08160	5.5
194.11694	1.7
194.18658	1.8
211.05939	1.9
211.07733	2.9
211.09659	3.9
211.11371	1.7
211.13239	39.0
211.14914	3.8
211.16917	20.9
211.18884	16.6
212.09149	4.4
212.16321	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	2.7
55.05510	18.0
56.33772	2.1
56.96560	7.0
57.03441	10.5
57.07069	5.9
67.05503	30.6
69.03422	19.7
69.07068	32.7
70.06589	3.4
70.94283	6.9
71.04987	11.4
73.02911	2.7
75.14951	2.2
78.46133	1.9
79.05496	14.8
81.03417	5.6
81.07056	44.3
81.74198	2.2
83.04988	12.5
83.08630	15.0
85.02879	3.2
85.06526	8.3
90.77517	2.3
91.05476	16.2
93.07043	27.0
94.06545	3.6
94.28284	2.4
95.04978	11.2
95.08607	67.7
96.08908	2.5
97.02911	2.3
97.06521	8.6
97.10168	4.3
99.04436	3.3
99.08076	8.9
105.07035	28.2
107.08592	41.5
109.06537	13.2
109.10157	98.1
111.04410	3.9
111.08098	10.6
113.09556	2.2
114.63963	2.5
119.06066	2.3
119.08580	56.4
121.06478	2.7
121.10145	93.7
123.04414	4.3
123.08067	19.4
123.11703	30.2
125.09602	22.4
131.08527	2.4
133.10136	51.2
135.08020	3.7
135.11679	47.6
135.95316	2.1
137.02354	6.6
137.05951	3.5
137.09604	24.6
137.13261	13.4
139.11143	7.8
147.08066	3.9
147.11687	13.2
149.02271	3.8
149.13246	28.9
151.07529	2.7
151.11177	20.4
151.14787	13.6
153.12750	5.1
165.09085	3.1
165.12735	6.7
165.16397	16.6
167.07025	8.3
167.14320	3.7
169.88864	2.2
170.10936	2.5
175.11192	7.9
175.13297	3.9
175.14825	77.3
176.15025	2.3
193.04991	2.7
193.12239	10.0
193.15881	100.0
211.07593	4.2
211.11391	4.7
211.13283	7.0
211.15018	3.4
211.16922	37.1
212.11870	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.01862	3.2
55.05510	24.8
56.96537	2.6
57.03427	6.0
57.07055	6.8
59.04985	3.3
60.34707	2.1
65.03936	2.2
67.05505	31.6
69.03423	8.6
69.07065	32.0
69.66648	4.4
69.67056	11.6
71.04991	8.7
71.08653	2.6
73.02895	2.4
74.30669	2.0
79.05481	12.9
79.40160	2.0
79.62214	2.0
81.03408	4.5
81.06578	3.2
81.07051	40.5
83.05000	11.9
83.08623	14.3
84.05307	3.3
84.08919	2.1
85.06535	7.1
91.04915	2.1
91.05466	12.1
93.07050	22.7
93.87499	1.9
95.04961	14.3
95.08602	57.2
97.02866	3.0
97.06509	6.8
97.10177	3.5
99.04441	2.9
99.08073	6.3
105.07023	26.0
107.08599	32.8
109.06531	16.1
109.10154	100.0
110.06829	6.1
110.09746	2.0
110.10506	2.5
111.07303	2.1
111.08065	7.2
113.09637	2.8
119.08575	41.8
119.09360	3.7
119.93618	1.8
121.06472	2.2
121.10141	75.5
121.11037	3.6
123.08076	14.3
123.11688	27.0
125.09623	6.3
131.08574	3.6
133.09161	1.9
133.10126	50.3
135.08130	2.9
135.10715	2.1
135.11697	40.6
137.09605	19.0
137.13257	12.9
139.11194	6.4
144.42294	2.2
147.11674	8.5
149.13269	22.9
151.07553	2.6
151.11165	16.1
151.14833	11.5
155.08487	2.6
163.14859	3.0
165.12801	2.8
165.16452	10.9
167.07051	6.5
167.14415	4.9
175.11295	2.9
175.14824	73.7
179.07028	2.5
183.11790	2.9
193.12198	6.8
193.15895	97.6
211.11353	3.0
211.13191	4.7
211.15080	2.5
211.16965	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.9
55.01861	3.4
55.05509	25.6
56.96563	8.9
57.03448	6.1
57.07072	10.8
57.27593	1.0
59.04996	2.2
59.21336	1.1
67.05506	40.9
67.05875	2.2
67.22113	1.0
69.03069	1.9
69.03426	19.9
69.07069	30.9
69.07449	1.6
69.23744	1.3
69.72425	7.0
70.06584	1.6
71.01321	1.6
71.04993	14.0
71.08620	3.1
73.02902	2.0
79.05489	20.3
81.03419	13.8
81.07056	67.9
83.04976	16.2
83.08615	15.2
84.02856	1.1
84.96040	1.6
85.02895	4.0
85.06549	6.7
85.10155	6.6
88.29189	1.3
89.64586	1.3
91.05477	23.4
92.39239	1.3
93.07039	37.2
95.04966	13.6
95.08604	75.3
97.02889	2.5
97.06532	8.2
97.10165	4.5
98.97578	1.7
99.04442	4.4
99.08076	4.3
103.05447	2.6
105.03409	1.3
105.07027	42.5
107.04969	2.1
107.08595	53.7
107.71696	1.1
109.06509	14.4
109.10155	100.0
111.04446	2.6
111.08070	7.4
113.06006	1.7
113.09667	2.2
115.05454	1.4
116.00208	1.9
117.07030	3.1
119.04963	2.4
119.08580	79.8
121.06504	2.6
121.10141	45.6
121.11028	2.5
123.04429	3.8
123.08085	12.5
123.11700	68.2
124.04062	1.2
125.09634	33.1
127.03982	1.7
127.11198	2.2
131.08578	2.6
133.06497	1.9
133.10126	62.5
134.99628	2.1
135.08093	2.6
135.11691	83.8
137.05980	4.5
137.09607	19.5
137.13245	4.4
139.11140	2.0
145.10135	2.7
147.08063	1.9
147.11696	14.3
149.06000	1.8
149.09586	2.0
149.13263	10.1
151.03902	2.5
151.07512	3.1
151.11157	7.7
151.14807	3.3
152.08189	1.4
153.12723	3.3
155.08565	2.1
157.10124	2.7
160.12450	1.8
163.14798	12.8
165.09074	2.5
165.12741	3.0
165.16402	19.0
167.07047	7.5
175.11232	4.7
175.14824	67.3
176.15100	1.6
179.07060	2.5
181.15855	1.7
183.08075	2.3
193.08626	1.7
193.12257	10.6
193.15894	27.6
210.56032	1.4
211.07594	4.4
211.09544	2.5
211.11499	1.6
211.13319	4.7
211.16956	20.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1693
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03941	3.9
55.01870	8.0
55.05508	49.5
56.96561	12.7
57.03432	10.3
57.07070	5.4
59.04998	4.1
65.03940	2.8
67.05506	47.9
69.03428	31.1
69.07067	24.8
69.85263	7.7
71.04996	20.3
71.08607	2.3
78.04729	1.6
79.05492	35.2
80.04961	1.3
81.03417	90.7
81.07057	73.4
83.04982	48.9
83.08618	38.4
85.02928	2.8
85.06548	11.9
86.06062	2.5
91.05478	39.8
93.07043	39.3
95.04966	100.0
95.08604	45.4
97.02885	4.3
97.06532	12.2
97.10183	11.8
97.99207	2.2
98.21393	2.7
99.04446	4.6
99.08095	24.8
101.06052	1.7
103.05438	3.5
105.07034	36.9
107.04957	6.8
107.08595	29.8
109.06519	15.7
109.10155	54.1
111.04436	2.1
111.08080	14.2
113.05963	3.2
113.09641	2.7
115.05412	3.5
115.15662	1.3
116.00230	3.9
117.07030	2.7
119.05088	1.5
119.08587	37.0
121.06513	5.5
121.10148	20.7
123.04454	8.5
123.08045	11.2
123.11696	33.9
125.09624	14.6
127.07510	1.6
129.06993	11.3
131.08597	10.6
133.06487	4.4
133.10129	35.0
135.07977	1.4
135.11696	22.9
137.06004	4.3
137.09615	39.3
137.13234	2.9
139.11169	3.8
142.07797	3.4
145.10120	1.8
147.08043	5.7
147.11696	21.1
149.05927	7.4
149.09595	6.9
149.13255	8.8
151.03911	1.7
151.07600	3.3
151.11208	4.4
151.14908	1.9
152.04668	1.8
153.12825	2.4
155.08559	4.4
155.10657	19.2
157.10120	16.1
163.14783	2.2
165.09068	1.9
165.12724	7.3
165.16441	2.2
166.06313	2.1
167.07036	57.5
169.10201	7.0
175.11177	19.3
175.14818	24.5
178.23080	1.6
179.07005	5.7
181.08614	9.2
181.09978	1.9
183.11610	3.3
190.11101	1.5
190.54634	1.6
193.08725	2.9
193.10422	3.3
193.12238	52.5
193.15880	32.0
196.12480	3.2
202.53108	1.5
202.55443	1.6
211.07657	3.3
211.09442	2.5
211.11224	4.2
211.13286	27.2
211.14914	5.4
211.16829	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	211.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	5.0
55.01859	7.6
55.05511	34.3
55.85890	2.3
56.96574	16.8
57.03436	21.1
57.07067	7.6
59.04995	6.2
67.05513	40.4
69.03427	16.0
69.07070	45.4
69.76920	6.5
69.77333	9.6
71.04993	57.6
78.50874	2.2
79.05489	26.2
81.03419	34.8
81.07062	62.5
83.04983	24.5
83.08622	20.3
83.88771	2.4
84.96031	3.0
85.02946	4.1
85.06544	28.6
91.05481	23.9
93.07047	41.2
94.06567	2.9
95.04960	21.1
95.08612	55.5
97.02891	3.7
97.06533	26.6
97.10160	6.9
97.99152	2.7
98.21395	3.8
99.04456	29.0
99.08087	9.2
101.06049	2.5
105.07026	22.9
107.04971	4.8
107.08603	53.9
109.06516	11.1
109.10161	100.0
110.02314	2.3
111.08073	10.3
111.10961	2.4
113.06013	4.3
113.09643	5.7
115.07585	17.0
116.00220	5.0
119.04896	3.0
119.08588	49.8
121.06535	2.7
121.10135	29.1
123.04435	7.7
123.08096	14.8
123.11713	56.7
125.09645	16.5
127.07579	5.7
127.11240	7.3
129.06990	5.1
131.08560	7.7
133.06537	4.2
133.09227	4.1
133.10139	43.0
135.08057	3.5
135.11700	94.2
137.05977	5.1
137.09598	13.8
137.13254	5.8
139.11186	7.6
141.07030	2.5
141.09074	5.6
141.12762	4.8
142.07784	4.8
145.09999	2.8
147.07976	3.8
147.11705	20.6
149.05957	3.4
149.09677	3.1
149.13257	13.1
151.07542	7.1
151.11217	5.4
151.14828	8.7
153.12761	31.1
155.08562	5.7
155.10687	6.6
157.10149	8.9
165.09076	3.7
165.12773	7.4
165.16389	4.2
166.12395	2.5
167.07048	41.8
167.10681	3.1
169.10129	11.0
175.11194	10.3
175.14838	55.2
179.07094	14.8
181.10187	3.4
183.08015	4.9
183.11635	3.1
193.10727	3.1
193.12280	22.6
193.14334	3.4
193.15887	31.4
196.12527	4.7
211.07587	7.6
211.09506	5.2
211.11281	5.7
211.13193	10.7
211.14865	19.1
211.16945	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
52.26757	3.0
53.03947	4.1
55.01864	8.2
55.05510	46.2
56.96567	63.2
57.03437	10.9
57.07068	4.6
67.05506	43.1
69.03429	11.9
69.07072	17.6
71.04991	11.3
79.05496	30.3
79.99608	2.9
81.03422	100.0
81.07067	39.9
83.04984	56.8
83.08620	36.7
84.96033	7.1
85.02866	3.3
85.06525	4.0
90.18835	3.8
91.05489	40.1
93.07060	21.5
95.04956	38.2
95.08620	33.7
95.84468	3.4
97.02874	7.2
97.06506	7.6
97.10166	6.8
97.99168	10.6
102.97067	3.6
105.03384	5.5
105.07038	26.0
107.04962	8.6
107.08552	16.6
109.06528	12.1
109.10155	15.9
111.04473	4.3
111.08057	18.2
115.05556	3.2
116.00216	19.2
119.08596	27.5
121.10140	10.9
123.04403	3.8
123.08063	8.7
123.11774	5.0
125.09642	4.2
129.07002	13.2
131.08543	16.5
133.06490	4.2
133.10150	18.6
134.01299	4.6
135.11694	7.6
137.06032	5.0
137.09616	6.7
139.01778	5.4
142.07770	4.4
143.99657	4.4
145.10014	3.9
147.07997	6.6
147.11664	22.3
149.09647	9.9
151.03935	3.1
151.11206	5.5
155.08543	8.1
157.10132	20.5
167.07002	4.3
169.10150	7.5
175.11214	21.8
181.10103	3.8
193.12241	59.0
196.12372	4.6
211.07751	4.2
211.11229	5.9
211.13254	28.4
211.14912	11.0
211.16599	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	211.1692
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
53.03938	1.7
54.58275	1.2
55.01855	3.9
55.05512	18.5
56.96571	8.9
57.03438	9.3
57.07081	6.7
59.04999	9.0
61.89947	1.1
67.05174	2.0
67.05502	27.1
69.03442	7.0
69.07069	36.7
69.57365	1.3
71.04990	52.2
73.06521	1.4
79.05489	12.9
81.03418	13.7
81.06586	2.2
81.07053	42.4
83.04980	12.0
83.08611	15.8
84.96017	1.7
85.02882	2.4
85.06069	2.1
85.06540	24.5
90.90404	1.3
91.05479	15.5
93.06475	2.0
93.07038	39.8
95.04966	11.0
95.08605	53.8
97.06536	17.7
97.10162	4.1
97.99178	2.1
99.04454	23.6
99.08092	9.9
105.07023	20.5
107.04905	1.3
107.07861	2.5
107.08591	44.6
109.06527	5.9
109.10152	100.0
111.08082	9.0
111.11649	1.8
113.05985	3.6
113.09648	2.5
114.52992	1.2
115.06925	1.3
115.07575	18.0
116.00208	2.7
116.98525	1.4
119.08586	37.3
121.10149	24.2
123.04410	4.9
123.08079	8.5
123.10824	2.5
123.11707	48.0
125.09635	10.7
127.07542	3.1
127.11184	10.3
129.06902	2.1
131.08592	3.0
133.06511	1.6
133.10123	30.4
135.11691	98.0
137.05994	2.1
137.08650	1.7
137.09613	16.1
137.13280	2.9
139.11227	6.2
141.09079	4.9
141.12723	4.1
147.08052	2.2
147.11679	10.7
149.09595	2.4
149.13255	17.0
151.03708	1.5
151.07532	3.5
151.11172	6.0
151.14804	7.8
153.12741	36.0
155.08516	3.5
155.10677	6.5
157.10085	4.2
163.97818	1.3
165.09106	1.8
165.12753	4.8
165.16347	3.2
167.07039	20.5
167.08409	2.5
167.10680	1.9
167.14313	2.3
169.04962	1.5
169.10083	4.4
175.11206	3.6
175.14832	54.2
176.15207	1.2
179.07034	7.2
181.10074	1.8
193.08600	1.6
193.12209	9.4
193.15889	28.4
211.07582	3.0
211.09492	2.9
211.11411	2.2
211.13219	4.0
211.14908	7.5
211.16907	82.2
212.09004	1.2
212.12914	1.7
213.20813	1.2
222.29100	1.2
229.17400	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03945	8.5
53.57236	3.1
54.95042	2.9
55.01875	6.6
55.05513	50.7
55.28921	2.7
56.96561	28.3
57.03434	13.5
59.05003	3.3
67.05505	61.1
69.03421	7.2
69.07071	21.4
69.39532	2.8
69.45213	28.4
71.05015	15.1
73.06556	3.1
79.05497	100.0
80.82533	3.4
81.02974	5.5
81.03423	63.4
81.07057	72.0
83.04983	80.5
83.08617	29.5
83.83820	2.9
83.95399	2.7
84.96028	5.3
85.06538	7.1
91.05482	99.5
93.07042	92.9
95.04971	54.1
95.08611	23.5
95.71152	3.0
97.02986	2.9
97.06538	9.4
97.10190	5.6
97.99182	5.9
99.04450	3.7
102.86563	3.0
105.07033	55.1
107.04984	18.5
107.08604	22.0
109.06525	14.9
109.10165	8.7
111.08099	10.1
113.06039	5.1
115.05457	4.0
116.00186	6.1
117.07016	4.8
119.08585	44.1
120.08560	3.0
121.10136	10.5
123.08080	5.8
124.05909	3.0
127.07523	3.2
129.07025	31.0
131.08571	34.4
133.06490	7.1
133.10138	84.9
135.11740	3.4
142.07823	5.4
145.10132	3.6
147.08031	5.2
147.11720	38.0
149.09653	5.9
151.11139	5.0
157.10147	45.8
163.11139	3.3
165.12787	6.2
167.07048	12.6
167.08484	3.1
175.11177	29.3
193.12254	47.7
211.05927	4.3
211.13300	20.4
211.15021	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	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03944	4.9
53.75065	1.9
55.01858	10.4
55.05260	3.1
55.05512	47.0
56.96569	48.9
57.03415	9.4
57.07055	8.3
59.21172	2.0
65.03929	3.0
67.05505	47.1
69.03429	15.8
69.07079	22.9
71.01350	2.6
71.04988	15.0
71.08633	4.2
75.04479	6.4
79.05488	35.2
81.03422	100.0
81.07059	55.9
83.04984	55.7
83.08144	3.2
83.08618	44.7
83.46792	2.5
84.96030	8.3
85.02917	4.5
85.06537	11.2
91.05486	37.6
93.07054	28.7
95.04972	63.1
95.08607	41.0
97.02863	5.6
97.06538	7.9
97.10155	9.0
97.99172	8.2
98.06020	2.7
99.04444	6.8
99.08102	2.8
102.97054	2.6
105.03371	3.0
105.07025	33.4
107.04951	8.9
107.08588	19.9
109.06531	13.8
109.10156	28.2
111.04491	5.1
111.08089	20.4
113.06015	2.2
113.15215	2.4
115.05443	3.1
116.00218	14.6
117.06984	3.1
119.08573	32.6
121.06513	4.4
121.10139	15.5
123.04395	5.3
123.08065	7.4
123.11700	45.7
125.06081	3.2
125.09631	6.8
129.06985	11.7
131.08588	16.5
133.06500	4.2
133.10136	23.5
134.01273	6.0
135.08067	3.5
135.11662	11.5
136.07312	2.7
137.05983	6.6
137.09619	19.9
139.01804	4.0
139.07524	6.2
141.06999	2.5
147.08047	5.6
147.11670	24.8
149.05922	3.7
149.09625	8.1
149.13240	4.3
151.03885	4.7
151.07559	6.9
151.11224	10.9
153.09076	2.6
155.06924	2.6
155.08530	6.7
157.10132	15.0
165.09084	7.0
165.12750	4.7
167.07037	16.0
167.10678	2.8
169.10094	6.5
175.11197	23.5
175.14824	6.7
179.07050	5.2
179.10701	24.6
181.10149	4.2
183.06546	2.7
183.10162	3.3
183.11728	3.7
193.08545	3.8
193.10388	3.7
193.12238	54.2
193.15945	5.9
196.12619	5.6
211.07704	4.2
211.09627	6.0
211.11174	6.1
211.13257	37.7
211.14919	15.1
211.16806	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03947	2.6
53.68186	1.2
55.01865	4.9
55.05511	39.6
56.96559	3.5
57.03441	7.1
57.03688	1.6
59.05001	1.3
65.03957	2.1
66.14973	1.3
67.05507	28.3
69.03426	9.1
69.07058	11.8
69.41124	14.0
71.05007	6.8
73.36765	1.1
79.05494	31.0
81.03418	100.0
81.07059	37.9
83.04984	46.7
83.08621	32.2
85.06529	3.1
91.04961	2.5
91.05482	28.9
93.07040	13.9
95.04971	32.6
95.08601	12.6
97.02885	4.4
97.06515	3.5
97.10171	7.0
105.07034	26.9
107.04954	7.9
107.08595	8.7
109.06543	6.9
109.10163	4.1
111.04429	2.8
111.08080	15.3
115.05488	1.6
119.08578	17.3
121.06539	1.9
121.10146	7.3
123.08079	4.7
123.11741	1.7
125.09604	2.3
129.07007	10.6
131.08594	13.1
132.74799	1.5
133.06496	3.6
133.10120	13.1
135.11679	2.7
137.09624	3.2
142.07782	3.3
147.08049	3.9
147.11691	15.9
149.09619	9.2
157.10121	16.7
165.12776	3.9
175.11200	19.9
178.55095	1.4
193.12254	54.7
209.87650	1.3
211.11322	3.0
211.13275	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	211.1328
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
51.35160	0.9
53.03939	3.4
54.70514	1.0
55.01854	4.2
55.05511	37.2
55.23819	0.9
56.96560	2.8
57.03437	8.3
57.07067	1.1
59.04973	1.5
65.03927	1.8
66.72064	0.9
67.05505	29.5
69.03439	8.2
69.07069	11.9
70.21961	1.9
70.22372	3.1
71.04993	5.2
79.05494	31.8
81.03420	100.0
81.06583	1.6
81.07060	35.3
83.04980	44.0
83.08620	32.4
85.02895	1.7
85.06529	2.7
91.05483	31.3
93.07043	18.0
95.04971	33.1
95.08601	13.9
97.02885	3.4
97.06535	5.5
97.10177	8.1
98.21378	1.2
99.08109	2.3
102.11009	0.9
105.06388	1.6
105.07030	23.0
107.04964	6.6
107.08590	8.0
109.06521	7.1
109.10166	4.8
111.04424	3.4
111.08076	15.6
113.06006	1.5
115.05447	1.6
119.07790	1.8
119.08580	19.2
121.06519	1.9
121.10147	6.8
123.08025	3.9
123.11713	2.3
125.09610	3.3
129.07001	10.7
131.08574	12.9
133.06474	4.2
133.10135	12.7
135.11716	2.4
137.09628	2.7
142.07735	2.6
145.10110	1.2
147.08032	3.3
147.11694	15.0
149.01166	1.1
149.09636	8.3
157.10141	17.7
165.12776	5.5
167.06989	1.5
169.10204	1.1
175.11186	19.8
175.14864	2.0
193.12248	61.8
193.15921	1.8
194.12762	0.9
209.90999	1.0
211.13263	32.3
211.16545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.133
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03942	4.0
55.01874	6.5
55.05513	44.1
56.96572	3.7
57.03444	8.2
57.07087	3.9
59.05017	1.5
65.03929	1.7
65.67549	0.8
67.05507	35.4
67.31677	0.7
69.03090	0.9
69.03429	12.7
69.07068	15.0
70.07785	0.8
71.00970	2.2
71.01342	0.8
71.04648	1.0
71.04993	10.2
73.06535	1.1
73.14868	0.7
73.50948	0.8
74.36138	0.7
79.05498	32.6
80.28047	0.8
81.03421	100.0
81.07059	46.2
83.04984	48.9
83.05431	0.5
83.05509	0.7
83.08624	37.3
85.02882	2.8
85.06539	6.0
85.99440	0.7
87.04453	0.9
91.05484	36.1
93.07043	25.8
95.04972	35.2
95.08605	29.5
97.02883	3.9
97.06528	7.8
97.10176	8.5
97.99191	1.1
99.04439	2.8
99.08073	3.1
105.07034	28.9
107.04968	6.6
107.08600	18.5
109.06519	10.5
109.10156	15.1
110.06819	1.5
111.04449	4.1
111.08087	16.4
113.05985	2.1
115.05442	0.9
115.07557	1.1
116.06235	0.9
116.87331	1.0
117.06983	2.3
119.04895	1.3
119.08583	27.3
121.06499	3.1
121.10143	13.1
123.04405	1.7
123.08080	6.9
123.11707	7.5
125.09621	5.7
127.07542	2.2
128.00775	23.6
128.06252	1.2
129.07024	11.2
131.08568	14.7
133.06500	5.3
133.10124	18.0
135.10831	1.3
135.11713	12.1
137.05992	1.8
137.09637	5.8
137.13240	1.3
139.11160	0.9
142.07750	3.2
145.10095	2.1
147.08070	4.0
147.11690	17.5
149.09625	7.1
149.13229	2.4
151.07559	1.7
151.11143	2.9
151.14792	1.7
153.12730	2.3
155.08549	1.5
155.10674	1.2
157.08931	1.6
157.10130	16.6
163.11134	1.3
165.12787	5.1
165.16354	1.1
167.07048	10.6
169.10100	1.2
170.02855	1.0
175.09761	1.3
175.11191	19.3
175.14835	9.7
179.07008	2.9
181.10150	0.9
193.12248	53.6
193.15944	4.3
194.12517	0.7
211.05618	4.9
211.07524	1.4
211.13258	26.6
211.16550	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	211.1329
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
53.03947	5.5
55.01871	5.2
55.05515	44.4
56.96569	73.0
57.03429	12.4
57.07081	23.3
59.11916	4.2
62.88050	3.8
67.05236	3.7
67.05512	47.5
69.03418	10.8
69.07070	20.8
69.79082	3.8
71.04983	4.7
71.08621	21.8
71.59801	4.9
74.97626	3.5
79.05499	31.3
81.03420	100.0
81.07066	54.4
83.04990	48.5
83.08614	31.1
84.96026	11.6
85.06535	5.8
86.06034	3.9
91.05484	33.2
92.14177	4.0
93.07021	21.1
95.04971	40.9
95.08613	26.6
97.02856	5.8
97.06507	7.2
97.10176	12.0
97.99171	16.2
98.83178	4.0
98.98453	11.4
99.04448	5.0
105.03379	34.6
105.07031	28.7
107.04967	6.7
107.08610	19.7
109.06514	14.1
109.10171	19.2
111.04447	4.8
111.08071	12.8
116.00211	18.1
119.08581	30.8
121.06476	4.4
121.10149	16.0
123.04427	4.8
123.08045	8.6
123.11705	12.4
129.06992	12.0
131.08536	11.4
133.06422	5.0
133.10097	14.7
134.01265	5.3
135.11688	15.3
137.09616	8.6
139.01773	8.1
141.12738	13.7
142.07802	4.5
147.11693	21.6
149.09637	8.5
151.07547	6.8
151.11140	5.6
154.34593	4.4
155.08562	5.8
157.10081	19.5
165.12732	7.0
166.96458	4.7
169.10106	14.8
175.11200	20.2
175.14813	6.8
181.10159	8.5
193.12242	53.3
193.15962	4.6
196.12437	6.3
211.07634	8.6
211.11136	12.7
211.13255	25.8
211.15128	20.6
211.16737	9.8
211.20532	12.3
233.11476	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	210.9405
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	18.5
57.03428	12.0
59.96151	10.3
61.02937	13.7
65.96761	9.2
69.03419	13.1
70.35561	44.9
73.02908	32.4
77.15275	9.3
82.00108	8.6
85.02930	23.8
94.92998	28.7
97.02899	21.9
98.97587	40.8
99.29550	9.8
106.49339	8.7
110.97545	17.4
112.89598	28.4
116.98602	23.8
119.01821	34.0
120.94534	13.5
127.03949	14.2
128.02338	9.9
128.98613	17.1
134.99655	19.8
142.58401	9.1
146.02306	11.6
146.99632	26.9
150.91911	12.4
170.99699	19.9
177.00716	18.2
189.00681	21.7
210.94073	100.0
211.14386	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03933	2.1
55.01875	8.6
55.05510	14.2
56.96560	1.3
57.03421	2.6
57.07058	5.0
59.04985	4.1
65.03931	2.2
65.50860	1.1
67.05507	12.5
69.03436	10.0
69.07067	14.6
70.59220	1.7
70.59568	4.0
71.04993	38.7
71.08604	1.6
72.42203	1.1
79.05058	1.5
79.05486	12.6
81.07053	22.2
83.04981	25.2
83.08630	7.1
85.02925	2.9
85.06544	4.8
89.03889	1.4
89.41523	1.1
91.05478	16.1
93.03421	2.7
93.07040	28.2
95.04965	20.9
95.08607	24.4
97.06537	11.7
97.10146	1.6
98.97552	1.5
99.04467	5.6
99.08091	2.3
103.05480	6.2
105.07031	14.4
106.04158	8.3
107.04961	2.5
107.07859	2.7
107.08592	46.2
108.08884	1.1
109.05788	2.6
109.06516	45.4
109.09456	2.4
109.10155	27.0
111.04446	2.0
111.08095	9.4
111.11724	1.6
117.03303	1.1
117.07008	5.0
119.04976	1.7
119.08582	12.6
121.06514	17.0
121.10139	40.3
122.10501	1.1
123.08059	13.1
123.11729	6.6
125.05956	3.8
125.09633	6.0
127.07528	1.6
127.11147	1.8
129.06969	1.1
131.08557	15.1
133.10123	23.5
134.03619	1.4
135.04358	1.3
135.08049	19.0
135.11713	8.8
137.05891	1.5
137.09576	3.6
137.13223	1.4
139.07521	3.5
139.10098	1.8
139.11176	32.1
143.08560	1.5
145.10121	7.3
147.04417	1.8
147.08003	3.1
147.11682	28.1
149.05989	13.1
149.09622	17.8
149.13261	23.5
151.11179	32.0
153.05528	1.2
153.09103	12.0
158.10889	2.6
162.03061	1.1
163.07574	3.8
163.11183	3.0
163.14822	11.7
165.12732	3.5
167.14325	10.7
173.13251	23.8
176.11874	1.8
177.05502	8.5
181.08612	2.9
185.86484	1.2
191.07051	8.6
191.14307	100.0
193.18263	1.1
209.04378	1.8
209.08040	5.2
209.11929	2.8
209.15366	94.7
210.18558	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
52.91113	1.0
52.98611	1.2
53.03938	2.3
55.01627	1.4
55.01875	16.8
55.05508	10.5
56.96564	2.4
57.03422	2.1
57.07079	7.0
59.04993	1.7
67.05507	11.4
69.03431	6.0
69.06764	1.1
69.07072	11.2
70.81783	2.2
70.82117	2.0
71.01343	1.1
71.04990	6.1
75.04485	1.8
78.04724	1.4
78.25147	1.0
79.05132	1.1
79.05506	13.1
81.03421	7.1
81.07057	18.9
83.04987	10.6
83.08628	8.5
85.02896	3.6
85.06528	4.9
89.03909	2.1
91.05476	15.2
93.03440	1.4
93.07040	20.1
95.04967	17.8
95.08612	16.4
96.77209	1.0
97.02879	3.0
97.06537	5.9
97.10175	2.7
98.97532	1.5
99.04436	3.4
99.08096	3.2
103.05477	8.8
105.07043	9.9
106.04165	6.5
107.04929	3.1
107.08586	23.7
109.02844	1.2
109.06520	100.0
109.10152	19.4
111.04453	3.8
111.08086	4.9
113.05988	1.7
117.03420	2.6
117.07018	3.0
118.04135	1.4
119.04971	2.4
119.08598	6.7
121.02817	1.2
121.06506	17.1
121.10133	15.5
123.04408	1.3
123.08081	12.9
123.11681	3.9
125.06017	3.6
125.09605	5.9
129.06931	1.2
131.04913	4.4
131.08574	8.6
133.06483	1.3
133.10124	8.9
134.03619	2.3
135.08066	30.7
135.11688	8.6
137.05974	2.7
137.09570	2.9
139.07570	1.4
139.11169	2.3
145.02785	5.2
145.10110	8.5
147.04358	2.4
147.11661	4.9
147.17749	1.1
148.05171	2.4
149.05986	16.1
149.09615	9.9
149.13266	8.2
150.10387	2.1
151.11177	8.2
153.05473	4.0
153.09108	10.3
153.12761	2.2
162.99110	1.2
163.03969	1.7
163.07533	4.2
163.11197	9.6
163.14818	3.9
163.97705	1.3
165.07007	1.4
165.12682	2.5
166.06334	1.1
166.07718	1.2
167.14297	3.1
173.09601	2.1
173.13278	11.7
177.05493	19.1
179.08528	3.3
181.08592	4.9
181.10066	2.4
191.07037	7.7
191.08517	1.2
191.10701	4.3
191.14297	33.4
191.17863	1.4
194.10956	1.9
209.04422	5.5
209.08031	15.2
209.09685	2.6
209.11485	10.7
209.13467	2.5
209.15355	42.1
209.18723	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03951	1.4
53.21841	0.7
55.01882	4.8
55.05517	8.4
57.03434	1.3
57.07062	3.2
59.05004	2.2
67.05508	8.9
69.03133	0.9
69.03441	12.1
69.07076	14.0
71.04992	7.5
71.10849	2.2
77.69248	0.8
79.05507	10.0
81.03422	2.2
81.07070	16.1
83.04548	1.2
83.04991	16.0
83.08633	5.7
85.06532	2.3
91.05487	8.1
93.03393	0.8
93.07058	16.0
95.04961	8.8
95.08620	29.5
95.09248	1.4
96.11457	0.8
97.02901	1.3
97.06547	6.6
99.04422	1.0
99.08091	4.7
103.05474	1.9
105.07048	10.7
106.04172	2.6
107.04945	1.9
107.08601	42.2
109.06524	17.3
109.10174	14.3
111.04485	1.0
111.08102	4.7
113.09599	1.1
117.07008	2.1
119.08600	4.1
121.06505	9.2
121.10158	37.5
123.08093	6.1
123.11749	4.8
125.05954	0.9
125.09638	12.9
129.06961	1.2
131.08568	6.9
133.10135	17.3
135.08073	14.0
135.11714	8.5
137.09625	4.5
139.07550	1.7
139.11179	5.7
143.08574	0.9
145.10143	5.4
147.08064	1.3
147.11703	8.4
149.06012	3.5
149.09645	13.5
149.13271	19.1
151.11197	100.0
152.11528	0.8
153.09068	4.3
158.10915	4.0
159.07916	0.9
163.11166	2.4
163.14830	11.6
165.12782	9.2
167.14394	1.4
173.13263	16.7
177.05455	4.1
181.08571	1.2
191.07080	2.2
191.14326	49.9
209.04396	1.8
209.08141	3.5
209.11748	1.9
209.13440	1.5
209.15378	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	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	7.4
55.01872	23.1
55.05510	26.3
56.96553	3.8
57.03437	14.3
57.07054	7.4
59.04988	6.1
59.94862	1.7
60.81932	1.9
65.03937	10.8
67.05181	2.7
67.05503	36.7
69.03128	2.0
69.03427	22.8
69.07070	26.8
69.56563	10.8
69.56987	5.8
71.04987	18.4
73.02909	2.3
75.04454	8.2
77.66981	2.1
78.04691	6.4
79.05489	34.3
81.03399	7.6
81.07056	51.3
82.06560	2.5
83.04548	3.0
83.04979	36.1
83.08604	12.2
85.02895	11.5
85.06526	16.8
89.03879	2.0
91.05477	52.3
93.03405	19.9
93.07041	66.0
95.04967	52.7
95.08049	3.3
95.08605	39.3
97.02867	3.1
97.06004	2.6
97.06530	30.0
97.10114	3.4
98.97582	4.1
99.04451	15.3
99.08103	4.9
100.11179	2.4
103.05460	19.0
105.04545	2.2
105.07030	33.0
106.04174	45.6
107.04951	9.8
107.07863	4.1
107.08588	78.3
109.06513	77.1
109.10156	60.5
111.04412	5.0
111.08074	12.5
113.09621	2.7
117.03362	4.3
117.07002	7.9
119.01798	2.3
119.04924	4.2
119.08590	16.1
121.05667	4.4
121.06503	63.5
121.10132	52.5
122.37844	2.2
123.04404	3.9
123.08072	25.8
123.11686	14.5
124.05246	2.6
125.05977	17.7
125.09631	20.9
127.07516	3.7
127.11156	10.3
128.02284	8.8
129.53416	2.5
131.04927	7.6
131.08585	23.7
133.02853	2.7
133.10129	56.6
134.03593	7.7
135.04387	2.7
135.08038	36.0
135.11685	20.7
137.02812	3.2
137.05981	11.0
137.09610	10.9
139.07501	6.5
139.11162	16.8
139.53000	2.6
145.02866	4.9
145.10124	18.2
147.04402	2.6
147.08041	2.2
147.11670	20.4
148.05148	5.6
149.05977	70.1
149.09633	30.8
149.13252	32.9
151.07454	3.6
151.11174	45.8
153.05420	6.1
153.07948	2.4
153.09106	37.6
155.10638	4.8
158.10864	5.8
161.13271	3.0
163.07521	7.9
163.11194	14.6
163.14821	22.0
165.05533	4.0
165.12787	5.2
166.06221	3.3
167.14267	6.7
173.09615	4.1
173.13252	40.2
177.04018	3.6
177.05478	40.1
181.08585	12.9
191.07054	17.6
191.10626	9.5
191.14305	68.2
194.05438	2.9
197.07460	2.3
209.04388	6.8
209.08040	26.1
209.09671	2.6
209.11589	14.1
209.15318	100.0
210.18512	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	6.2
55.01871	14.8
55.05517	12.9
57.03435	7.4
57.07067	7.2
59.04982	5.5
65.03928	6.3
67.05514	16.3
67.29754	2.4
69.03429	22.3
69.07060	16.4
70.74797	6.3
70.75132	3.5
70.93547	3.0
71.04998	33.9
78.04708	2.5
79.05487	12.4
81.07048	22.8
83.00684	2.7
83.04970	14.9
83.08624	6.6
85.02881	5.3
85.06528	6.0
85.62798	2.9
91.05474	25.8
93.03409	8.8
93.07030	39.1
95.04959	24.6
95.08606	33.5
97.06523	18.8
97.10120	4.4
99.04443	4.9
99.08107	4.4
103.05481	11.4
105.07034	20.1
106.04158	27.8
107.04986	4.4
107.08591	63.1
109.06511	37.2
109.10136	28.1
111.04420	3.6
111.08072	10.8
117.07053	2.6
119.08589	11.1
121.06499	44.1
121.10139	59.2
123.08057	14.0
123.11674	8.0
125.05968	6.3
125.09657	7.2
127.07615	3.9
131.04936	3.5
131.08597	16.0
133.02856	2.9
133.10120	25.3
134.03632	8.3
135.04462	3.6
135.08035	32.0
135.11705	19.3
137.05984	5.9
137.09590	7.4
139.07562	4.8
139.11186	32.3
145.02831	3.8
145.10136	12.5
147.11678	23.9
148.05174	3.7
149.05981	47.0
149.09608	18.3
149.13257	37.9
151.11177	37.1
153.09117	18.3
158.10925	3.7
162.79964	3.2
163.11168	4.2
163.14873	19.9
165.12781	3.4
167.14342	6.3
173.13242	31.6
177.05547	18.3
181.08633	10.1
191.14305	100.0
191.26147	2.7
209.07971	15.4
209.11971	3.3
209.15388	96.0
210.18639	4.9
229.94479	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01875	3.9
55.05508	25.7
57.07071	4.0
61.40250	1.6
67.05505	9.7
69.03419	4.9
69.07056	4.7
69.77687	8.9
69.78091	3.0
69.90709	1.7
71.04990	4.4
79.05493	7.3
81.07045	17.9
83.04980	60.9
83.08611	10.3
84.21279	1.8
85.06509	2.1
90.43569	1.6
91.05468	7.8
93.07049	16.7
95.04960	42.4
95.08600	15.3
97.06538	16.3
98.20770	3.9
99.04443	7.9
99.08088	3.3
99.44601	1.5
105.07017	8.8
107.08589	24.0
109.06514	100.0
109.10143	20.3
110.20667	1.6
111.08084	6.4
113.09641	2.1
119.08583	3.0
121.06487	3.0
121.10146	21.9
123.08052	10.8
123.11691	4.3
125.09631	3.6
127.07584	2.5
129.29379	2.0
131.08543	8.7
133.10136	23.6
133.60626	1.5
135.08073	21.6
135.11676	6.2
140.82132	1.7
145.10063	2.4
146.48192	1.7
147.11688	2.3
149.09628	3.3
149.13298	12.2
150.23573	1.8
151.11192	12.6
153.09082	17.2
158.10907	3.3
163.14841	4.6
167.14325	16.4
173.13264	15.3
176.11934	1.9
191.12634	2.9
191.14285	25.9
193.75063	1.8
209.15356	38.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
55.01858	2.7
55.05510	19.0
57.06499	1.6
57.07065	5.7
58.83492	1.5
59.03611	1.6
59.05003	1.8
60.07261	1.7
67.05493	8.1
69.03423	4.1
69.07065	6.7
70.75856	3.8
70.76195	2.9
70.87965	1.5
71.04984	6.5
73.06096	1.4
79.05490	6.1
81.07062	15.7
83.04981	58.2
83.08614	10.0
85.06532	4.0
88.17975	1.7
91.05482	6.0
93.07043	16.5
95.04967	36.5
95.08597	16.9
97.06517	12.9
97.10164	2.1
99.04461	6.2
104.93329	2.0
105.07022	9.5
107.08593	22.6
109.06519	100.0
109.10155	25.8
111.08082	8.9
113.09624	2.1
119.08569	4.9
121.06490	3.4
121.10144	20.2
123.08070	16.0
123.11713	4.1
125.09637	5.9
131.08589	8.7
133.10139	21.7
135.08043	26.4
135.11700	4.8
137.09595	3.2
145.10164	4.1
147.11681	2.9
149.09610	4.0
149.13258	14.3
151.11174	13.5
153.09100	26.7
158.10902	2.5
163.14835	5.5
167.14299	19.5
173.13272	18.0
182.56268	1.8
191.14317	33.7
209.15372	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	209.1538
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03947	3.4
55.01863	8.8
55.05512	58.1
56.96566	3.4
57.03430	10.6
57.07061	6.2
59.04993	4.7
61.02892	2.2
64.54876	2.2
65.03940	2.8
67.05499	17.8
69.03421	14.3
69.07069	43.8
70.02956	5.1
71.05003	17.3
71.52448	3.5
72.08136	3.5
75.66724	2.2
79.05500	27.1
81.07063	42.3
83.04987	42.0
83.08617	13.8
83.66584	2.4
85.02867	2.6
85.06535	7.3
91.05482	28.2
93.03422	2.8
93.07043	47.9
95.04974	35.7
95.08611	32.8
97.06538	43.7
98.97576	3.7
99.04436	9.8
103.05481	5.3
105.07042	29.2
107.04961	5.7
107.08592	73.1
109.06524	100.0
109.10182	34.0
111.08078	16.0
113.09657	2.7
117.07020	4.4
119.08578	19.8
121.06496	17.8
121.10153	51.4
123.08061	19.5
123.11696	10.0
125.06006	3.2
125.09666	12.8
127.11185	6.7
131.04942	3.0
131.08578	26.4
133.10121	52.1
135.08055	21.2
135.11690	15.6
137.09601	4.4
139.07530	2.5
139.11194	4.5
143.08492	2.8
145.10136	19.2
147.11662	10.8
148.05180	3.0
149.05971	10.3
149.09634	24.2
149.13269	20.5
151.11197	24.6
153.05476	5.3
153.09111	34.9
158.10950	4.0
163.11150	5.6
163.14873	16.5
165.12808	4.6
167.14297	9.9
167.62450	2.3
173.13277	30.9
177.05498	10.0
181.05023	2.9
191.07076	5.0
191.10654	7.7
191.14299	49.5
209.08044	15.3
209.11795	11.9
209.13438	5.7
209.15372	83.3
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
52.03401	2.0
52.22409	2.2
53.03923	4.7
54.00550	2.2
55.01876	3.0
55.05514	94.7
55.06382	2.7
57.03419	5.4
57.07071	2.9
59.04990	6.6
67.05503	16.2
69.03413	9.5
69.07066	26.2
69.56823	18.6
70.21268	2.2
71.04985	7.3
79.05495	13.0
81.07061	31.3
83.04982	100.0
83.08620	59.9
85.06528	8.0
87.04465	2.1
91.05482	11.6
93.07053	29.7
95.04976	26.8
95.08614	27.1
97.06540	18.7
97.10174	12.1
99.04433	5.9
105.07029	14.3
107.07860	4.0
107.08588	60.0
109.06519	29.4
109.09470	2.8
109.10162	43.9
111.08076	20.6
113.09637	3.7
119.08553	12.3
121.06524	2.9
121.10139	50.2
123.08056	8.7
123.11710	16.7
125.09618	16.9
129.07042	2.9
131.08554	7.8
133.10132	23.5
135.08046	14.3
135.11705	21.3
137.09648	5.8
139.11203	5.7
145.10095	3.8
147.11693	5.6
149.09599	4.5
149.13255	24.3
151.11188	65.1
153.09122	15.5
158.10948	3.6
158.99564	2.7
163.14804	17.7
167.14326	92.8
173.13277	25.6
177.00711	2.8
177.05530	2.3
191.14301	32.2
198.06517	8.0
209.15375	86.7
209.17372	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	209.1537
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	5.5
55.01859	6.8
55.05268	3.7
55.05510	57.3
56.96556	3.4
57.03423	6.0
57.07065	4.7
59.04984	4.1
63.03822	2.3
65.03944	3.7
67.05490	18.7
69.03428	18.6
69.07069	72.1
71.04948	18.8
79.05491	22.5
81.07056	44.5
83.04985	47.3
83.08618	20.2
85.02884	4.6
85.06531	8.0
86.37215	2.3
91.05480	20.2
93.07043	56.7
95.04971	37.7
95.08606	46.0
97.02866	2.8
97.06526	31.2
99.04455	7.0
99.08072	4.3
105.07033	23.8
105.64927	2.5
107.08594	91.8
108.16064	2.5
109.06532	24.2
109.10159	33.3
111.08079	22.4
115.05376	2.5
117.06997	5.1
119.08565	23.3
121.06500	10.7
121.10141	100.0
123.08089	21.0
123.11655	13.7
125.09621	10.0
127.11154	5.5
127.42523	2.2
131.08568	25.9
133.10124	44.1
133.45145	2.5
135.08031	22.3
135.11670	26.0
137.09587	10.1
137.13258	3.6
138.16721	2.5
139.07564	4.2
139.11140	4.2
145.10097	12.3
147.11710	13.2
149.05968	4.2
149.09625	13.8
149.13257	32.8
151.11171	36.2
153.05539	2.4
153.09111	15.9
158.10919	5.8
161.13287	6.4
163.03911	3.3
163.11162	6.4
163.14836	42.8
165.12782	6.0
167.10686	2.5
167.14343	21.7
173.13255	41.9
177.05467	3.8
179.14375	3.5
191.07037	2.9
191.14316	66.1
209.04428	3.4
209.08011	7.2
209.09930	2.5
209.11755	5.9
209.15370	91.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03941	1.3
55.01857	2.6
55.05511	5.7
57.03424	1.4
57.07056	1.5
59.04981	1.0
59.71834	0.8
65.03925	1.5
67.05515	6.0
69.03430	8.7
69.07061	5.5
70.90084	2.3
71.04984	2.0
79.05494	11.0
81.07054	20.4
83.04961	3.2
83.08624	3.7
85.06543	1.3
91.05468	11.7
93.07040	9.0
95.04950	4.3
95.08610	5.1
97.06535	3.3
103.05479	1.9
105.07032	9.8
106.04151	1.7
107.04939	1.9
107.08590	37.4
109.06512	21.4
109.10154	10.7
111.08069	1.0
115.05479	3.8
117.07018	4.4
119.08591	5.0
121.06515	4.8
121.09324	1.2
121.10144	19.6
122.07298	8.7
123.08049	3.3
123.11684	1.3
125.09599	1.6
131.08571	3.7
133.10127	100.0
135.08049	26.1
135.08839	0.6
135.11667	2.9
137.09613	74.4
145.02844	1.0
145.10103	2.4
147.11667	3.0
149.05960	2.9
149.09630	1.9
149.13254	18.9
151.11171	3.9
153.09091	3.0
158.10898	1.3
163.14847	4.1
165.12796	1.3
173.13271	6.4
177.05478	3.2
181.08589	0.9
191.07033	1.3
191.14294	12.5
209.08083	2.2
209.11694	1.9
209.15350	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	209.0808
Annotation	Hofmeisterin
Peak:m/z	Relative Intensity
52.91522	1.3
53.03946	7.2
54.01081	1.3
55.01872	31.4
55.05514	16.4
56.96560	3.1
57.03424	5.3
57.07062	6.6
59.04980	3.0
62.51307	1.3
65.03951	9.6
65.49769	1.6
67.05505	16.3
67.39905	1.3
68.99805	1.9
69.03423	7.9
69.07072	17.5
70.06591	1.7
70.80859	2.3
70.81204	2.6
71.04987	8.7
75.04462	6.6
77.03927	1.7
78.04719	7.0
79.05498	18.0
81.03411	7.6
81.07058	30.3
82.04234	1.9
83.04987	15.2
83.08628	9.8
85.02911	8.5
85.06533	6.3
89.03911	5.4
89.06036	3.2
91.05483	49.0
92.06281	1.6
93.03413	24.0
93.07049	46.7
95.04971	62.1
95.08609	20.3
97.02895	2.8
97.06526	16.1
97.10155	2.5
99.04459	7.3
99.08077	3.1
103.05461	19.9
105.03388	3.1
105.07043	17.4
105.16904	1.4
106.04180	60.2
107.04988	8.4
107.08601	36.0
108.05715	1.6
109.05784	3.2
109.06521	58.5
109.10162	18.9
110.03639	2.4
111.04432	10.0
111.08103	9.6
113.05961	2.3
117.03385	5.2
117.07018	5.1
118.04162	3.5
119.04948	3.5
119.08611	8.9
121.06512	74.1
121.10146	22.4
123.04436	4.5
123.08081	11.4
123.11724	9.6
124.05202	2.8
125.06004	20.7
125.09658	11.2
127.07446	1.6
131.04939	8.5
131.08540	11.6
133.10144	16.1
134.03636	12.5
135.04378	4.2
135.08060	29.1
135.11685	15.9
137.05968	9.2
137.09590	3.4
138.06728	1.8
139.07588	12.5
139.11180	2.2
143.08542	1.8
145.02847	5.7
145.10118	10.3
147.04411	3.4
147.07948	1.9
147.11690	11.1
148.05180	7.3
149.05986	100.0
149.09630	15.8
149.13281	11.2
150.06453	1.9
151.03894	3.1
151.07533	5.3
151.11179	13.2
152.08311	2.3
153.05449	6.5
153.06752	2.2
153.09106	26.4
153.12723	3.3
159.04410	2.4
163.03918	2.2
163.07529	7.1
163.11182	13.6
163.14793	6.3
165.05400	1.8
165.06992	2.3
165.12752	60.9
166.06267	5.3
167.07045	3.5
167.08438	2.2
167.14337	6.1
173.09572	4.2
173.13300	12.3
177.05487	55.8
179.08531	3.7
180.07767	2.3
181.08594	20.5
181.10023	2.1
181.12097	1.7
191.07021	20.1
191.08652	2.2
191.10645	10.1
191.12631	2.7
191.14320	38.7
191.17944	2.2
194.10944	2.2
209.04340	5.0
209.06026	5.8
209.08025	39.3
209.09688	3.2
209.11646	7.3
209.13448	4.2
209.15356	65.9
209.18671	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	1.7
55.01892	1.3
55.05510	10.1
57.03424	2.4
57.07064	5.1
59.04994	3.6
65.03933	3.2
67.05505	21.8
69.03085	2.1
69.03433	40.0
69.07077	19.6
70.06574	1.5
71.04990	7.6
71.12626	3.3
79.05489	15.5
81.03407	6.2
81.07050	19.1
83.04965	10.9
83.08617	2.3
85.02888	3.9
85.06544	3.1
89.17444	1.6
91.05478	16.8
93.01599	1.3
93.06547	1.8
93.07052	20.6
95.04973	21.4
95.08608	20.4
97.02876	2.9
97.06546	10.7
98.97580	2.1
103.05474	1.6
105.06385	2.7
105.07039	36.8
107.04949	3.4
107.08591	26.2
109.06525	20.8
109.10168	10.4
110.07301	1.9
111.08105	8.7
114.47540	1.4
117.06996	5.2
119.04931	3.8
119.08582	31.2
121.06529	7.0
121.10145	26.0
123.04433	26.2
123.08063	22.8
123.11688	4.8
123.49892	1.4
124.08861	5.2
125.09615	4.8
129.07001	2.4
131.08572	5.9
133.06502	7.6
133.10133	50.3
135.08044	4.5
135.11676	6.4
137.05983	9.4
137.09645	13.2
137.13284	1.9
139.07611	1.7
143.08527	4.8
145.06372	1.4
145.10161	9.1
146.03659	2.0
147.04358	2.9
147.08037	7.3
147.11688	26.5
149.09624	49.7
151.07547	16.5
151.11197	8.4
156.09390	7.0
157.21259	1.4
159.08089	3.4
159.11705	5.0
161.06009	4.5
161.09601	4.4
161.13248	21.0
163.11179	13.6
165.09073	3.4
165.12741	10.5
171.11722	14.6
174.10452	4.1
177.00710	2.5
177.09067	1.9
177.12723	3.1
179.07047	3.0
179.14316	5.8
189.05435	1.9
189.09113	3.5
189.12756	33.3
207.06535	6.2
207.13806	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	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	9.9
54.49092	6.0
55.01863	7.9
55.05506	20.1
56.96561	11.9
57.07075	9.6
67.05508	48.2
69.03432	11.0
69.07065	16.7
71.05003	10.9
71.61250	5.4
79.05493	54.2
81.03391	8.8
81.07060	49.6
83.05001	12.7
85.02875	13.7
91.05476	68.4
93.07047	97.5
95.04973	34.0
95.08605	71.6
97.06496	9.9
103.05537	7.0
103.07836	5.7
105.07022	74.1
107.08612	36.8
109.06516	29.2
109.10150	13.6
115.96419	13.3
117.07012	10.7
119.04971	10.7
119.08582	58.8
121.06563	11.4
121.10172	24.6
123.04440	8.7
123.08071	53.6
123.11716	13.0
128.06180	8.7
129.07016	14.7
133.10129	24.1
135.08018	7.0
137.05960	7.8
137.09601	19.3
143.08603	9.2
145.10141	15.3
146.57407	7.5
147.08057	19.2
147.11697	61.3
148.07413	6.5
149.09602	30.6
150.07901	7.0
151.07564	20.2
154.07372	10.1
156.09488	7.2
161.04750	6.7
161.06046	7.4
161.09625	15.8
161.13261	30.2
163.03954	13.1
165.09093	7.8
165.12788	26.9
166.09114	8.9
171.11717	19.7
175.09804	15.8
184.00182	8.6
189.09192	9.2
189.12727	41.5
189.16409	8.4
192.09326	18.2
207.02818	8.9
207.06522	30.3
207.09996	9.6
207.11751	25.8
207.13846	100.0
207.17455	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.80954	0.9
52.63851	0.8
52.73387	0.8
53.03938	1.7
55.01855	3.6
55.05507	9.0
57.03444	1.2
57.07070	2.7
59.04996	1.2
65.03932	1.3
67.05506	13.0
69.03422	7.3
69.07055	8.1
69.32091	6.5
69.32513	3.5
71.05001	7.7
71.40211	0.9
79.05489	9.9
81.07055	12.5
83.04972	6.2
83.08618	3.1
85.02896	16.5
85.06067	1.6
85.06538	18.9
91.05474	9.0
93.07035	12.0
95.04961	14.5
95.08597	13.2
95.54466	1.1
97.02900	2.2
97.06525	23.3
98.21521	1.9
98.97550	1.1
99.04435	2.9
103.05466	0.9
105.07033	20.4
107.04951	2.4
107.08588	19.6
109.06513	100.0
109.10154	9.5
111.08074	66.0
111.08865	1.8
113.06000	1.7
117.06978	3.3
119.04929	1.8
119.07796	1.7
119.08578	28.7
120.08118	1.6
121.06486	3.6
121.09309	1.7
121.10139	22.3
123.04406	1.4
123.08064	21.2
123.11692	13.9
125.06015	1.6
125.09645	1.3
129.07018	1.4
131.08553	6.0
133.06512	2.8
133.09137	1.3
133.10129	18.8
135.08041	7.7
135.11646	1.7
137.06020	2.3
137.09601	11.2
137.13206	4.0
141.07033	1.2
143.08519	3.7
145.10107	6.0
146.10892	1.2
147.04422	1.1
147.08044	10.1
147.11681	39.9
149.09612	32.1
151.07550	15.3
151.11212	1.8
156.09338	13.1
159.08051	6.2
159.11647	1.9
160.08774	1.7
161.09619	10.9
161.13234	15.2
163.07466	1.1
163.11211	5.2
164.04738	1.3
164.08299	5.7
164.11952	1.9
165.09117	7.4
165.12740	25.3
171.11694	20.5
174.10397	11.7
175.04295	1.0
177.09137	2.5
179.10663	3.3
179.14302	3.2
189.09114	1.6
189.12737	45.8
189.16339	1.4
192.11470	0.9
207.06496	4.5
207.13792	67.5
207.17030	1.8
208.14046	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03943	2.6
55.01853	4.4
55.05291	1.2
55.05512	11.5
56.96547	3.2
57.03428	3.3
57.07059	5.5
59.04996	3.1
65.03913	2.2
67.05505	19.5
69.03430	14.7
69.07069	10.6
69.27879	1.1
70.65706	4.2
71.04649	1.3
71.04987	9.8
77.03913	1.6
79.05498	15.4
81.03400	3.6
81.07059	20.3
83.04545	1.9
83.04984	25.0
83.08603	4.3
84.08101	1.5
85.02896	8.6
85.06523	9.0
85.40524	1.1
86.04899	1.3
87.05601	1.4
89.06023	2.0
91.05481	24.4
92.62075	1.1
93.03408	1.2
93.06472	1.6
93.07042	24.0
95.04968	16.0
95.08052	2.1
95.08603	30.2
97.02865	2.7
97.06551	6.6
98.97570	3.4
99.04443	5.8
99.08079	1.4
103.05461	2.6
105.07030	46.5
107.04952	6.1
107.07866	1.7
107.08584	25.4
109.02880	2.9
109.06518	58.9
109.10153	14.3
111.04383	3.1
111.08100	7.8
115.05430	1.9
116.98599	3.7
117.06980	4.7
119.04925	10.0
119.08578	47.7
121.06497	10.3
121.10139	22.3
123.04394	3.9
123.08068	36.0
123.11709	8.6
125.06013	7.3
125.09622	3.3
128.06207	5.0
129.07008	7.1
131.08586	9.4
133.06514	10.3
133.09131	1.5
133.10124	25.5
134.99626	1.9
135.08031	14.2
135.09006	1.7
135.11659	4.1
136.05208	2.0
137.05991	3.4
137.09604	15.2
137.13252	2.4
139.07494	1.9
143.08580	7.6
145.06416	2.2
145.10115	15.8
146.07286	2.8
147.04433	5.9
147.08069	13.0
147.11688	39.4
148.02592	1.7
148.08719	2.0
149.02336	5.0
149.05975	1.6
149.09621	49.6
149.13219	2.5
150.12756	1.4
151.07545	27.9
151.11179	3.4
153.09106	4.6
156.09338	8.3
157.06497	2.4
159.08066	2.5
159.11684	3.4
161.01227	1.8
161.06004	11.8
161.09602	18.4
161.13255	24.7
162.09033	1.8
163.03992	1.7
163.11186	31.8
163.14844	1.7
164.04695	5.3
165.05495	1.6
165.09100	6.8
165.12766	16.1
171.11703	13.9
172.89142	1.4
174.10387	4.1
175.03877	2.1
177.00676	2.9
177.12668	1.7
179.06979	4.5
179.14275	3.3
186.07286	1.5
187.08087	1.5
189.05493	2.3
189.09149	8.3
189.12741	59.3
189.16364	5.0
192.04077	1.7
202.17213	1.3
207.02861	1.9
207.06517	24.1
207.10046	7.1
207.13803	100.0
207.17375	5.2
208.03838	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03945	1.7
54.31705	1.3
55.01861	2.2
55.05509	13.3
56.96556	3.2
57.03421	2.6
57.07066	6.1
59.04998	1.3
59.59601	1.4
61.02946	1.4
65.03927	2.0
65.47933	1.3
67.05505	16.3
67.05842	2.3
69.03438	9.5
69.07068	10.6
70.59673	1.9
70.60026	4.4
71.05011	7.6
71.05319	1.3
79.05494	18.9
80.28023	1.4
81.03432	2.4
81.07066	17.9
83.04975	14.7
85.02903	18.2
85.06538	5.1
91.04958	2.6
91.05476	28.7
93.07046	36.4
95.04975	12.8
95.08049	2.6
95.08613	34.5
97.06557	8.3
98.97585	16.8
99.04440	2.5
105.07035	43.5
107.04947	6.2
107.08597	68.8
109.06527	18.7
109.10179	10.1
110.70364	1.6
111.08091	3.4
114.40923	1.3
115.05466	1.8
116.98622	12.0
117.07010	4.0
119.04921	3.7
119.05765	1.2
119.07790	2.7
119.08587	37.7
121.06499	6.1
121.10144	27.1
121.33845	1.3
123.04392	3.3
123.08069	31.9
123.11711	14.9
125.05990	3.4
125.09617	11.7
129.06998	4.5
129.36638	1.3
130.07758	2.5
131.08565	10.0
133.06485	9.8
133.10138	14.7
134.99628	6.5
135.08044	6.1
135.11667	5.3
137.05992	5.2
137.09621	10.0
137.13217	3.6
143.08562	5.8
145.10156	8.5
147.04419	3.3
147.08032	11.4
147.11694	25.4
148.08806	1.8
149.09622	56.9
151.07558	21.9
151.11156	3.6
156.09364	6.9
157.06436	1.6
158.99686	6.8
159.08081	2.1
161.05981	3.8
161.09660	7.5
161.13251	28.5
163.11147	6.3
165.09186	7.6
165.12747	20.5
171.11723	11.9
174.10402	3.4
175.04042	1.9
176.15041	1.7
177.00725	11.7
177.06715	1.5
177.12793	2.0
179.06987	2.2
179.14310	5.0
189.09109	5.3
189.12744	42.4
195.01826	1.7
195.07771	1.7
207.06425	7.4
207.10106	5.0
207.13802	100.0
207.17461	4.5
208.06058	2.0
208.13478	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.85157	1.0
53.03941	1.5
55.01854	2.9
55.05513	9.3
56.96554	1.4
57.03416	2.7
57.07054	4.0
57.07309	1.0
59.04985	3.6
60.47011	1.2
61.02901	1.3
62.31630	0.9
67.05499	9.6
69.03427	9.5
69.07058	6.4
70.67123	3.2
71.04997	7.0
79.05498	6.7
81.07053	11.9
83.04980	8.0
83.08603	2.6
85.02899	10.3
85.06524	2.2
85.62324	1.0
90.71095	1.0
91.05472	13.7
93.07045	14.2
95.04978	7.0
95.08604	15.7
97.02874	1.7
97.06508	3.8
98.97571	3.1
99.04446	1.9
103.05445	2.1
105.07030	31.3
107.04961	1.8
107.08595	19.3
109.02877	1.1
109.06518	18.1
109.10164	9.0
111.08067	2.9
116.98620	2.2
117.07027	2.6
119.04951	4.1
119.08583	33.1
120.08094	1.1
121.06504	7.6
121.09315	1.3
121.10137	22.4
123.03774	2.3
123.04543	1.9
123.08073	23.6
123.11691	7.7
124.08853	2.7
125.06005	2.5
125.09633	2.9
128.06227	1.5
129.06984	2.2
130.07790	2.0
131.08569	5.3
132.04442	1.0
133.06519	8.7
133.10130	15.0
134.99626	1.4
135.08023	7.3
135.11658	2.3
137.05984	4.8
137.09613	17.9
137.13217	1.9
143.08566	5.1
144.04381	2.8
145.06386	1.4
145.10112	9.3
147.04485	1.4
147.08047	10.4
147.11688	31.7
148.11957	1.1
149.09624	62.2
151.07524	12.8
151.11198	6.1
153.09097	2.5
156.04350	1.4
156.09381	6.4
158.08492	1.0
158.99632	1.3
159.08038	2.8
159.11728	1.5
161.09631	5.5
161.13260	24.5
162.05495	2.2
163.11165	8.8
164.98283	0.9
165.04903	3.9
165.09103	2.7
165.12750	16.7
171.11694	12.9
174.10388	5.0
177.00681	1.8
177.12762	1.2
179.07033	1.1
179.14284	4.9
184.26286	1.1
186.05450	2.2
189.09137	5.5
189.12747	46.8
195.05975	3.0
207.06519	2.9
207.13805	100.0
208.14098	1.8
227.05894	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	207.1381
Annotation	(S)-(+)-Ibuprofen
Peak:m/z	Relative Intensity
53.03937	0.9
53.72443	0.7
55.01857	1.1
55.05506	6.7
57.03431	0.8
57.07071	1.6
59.05007	1.4
67.05507	5.6
69.03439	4.7
69.07076	7.9
69.54702	7.0
71.04987	2.6
78.80563	0.8
79.05491	4.2
81.03416	2.0
81.07063	7.0
83.04966	2.6
85.02903	4.8
85.06535	1.8
91.05481	9.3
93.07047	7.2
95.04974	4.1
95.08614	10.1
97.06512	1.6
98.20742	1.2
98.97594	1.4
103.05460	0.9
104.82346	0.9
105.07035	25.5
107.04962	2.1
107.08601	8.9
109.06512	9.4
109.10153	3.5
111.08064	1.0
115.05513	1.2
117.07013	2.7
119.08584	45.0
121.06496	3.5
121.10146	13.4
123.08073	10.7
123.11701	3.9
128.06230	1.3
129.07013	2.0
131.08543	5.4
132.09343	0.8
133.06479	7.5
133.10139	31.8
135.08025	1.9
135.11720	5.4
137.06038	1.7
137.09660	6.0
137.13258	1.0
143.08569	2.7
145.10133	5.5
146.10910	2.8
147.08049	7.8
147.11685	37.2
149.09630	26.4
151.07567	6.2
156.09349	5.0
159.08112	1.9
159.11694	2.0
161.05957	2.1
161.09679	8.4
161.13258	100.0
162.13612	1.5
163.11166	4.5
165.09097	2.1
165.12817	4.3
171.11742	4.3
174.10411	6.3
179.14261	1.1
189.12747	59.0
190.12982	1.1
207.06566	2.5
207.13809	89.1
208.14079	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	207.138
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.26035	0.7
53.03969	1.2
55.05511	3.2
55.14257	0.7
55.79100	0.9
57.03440	1.0
57.07081	1.0
59.05008	1.4
67.05503	4.8
69.03431	5.4
69.07076	3.2
70.04712	3.4
71.04994	6.6
73.70760	0.9
79.05497	5.9
81.07062	5.8
83.04990	3.1
85.02906	2.1
85.06550	1.3
91.05479	6.8
91.23285	0.7
93.07045	10.8
95.04975	2.6
95.08598	5.8
97.06534	2.2
98.97598	5.4
100.02175	0.9
105.07033	13.8
107.05044	1.0
107.08598	14.5
108.34606	0.7
109.06528	7.2
109.10147	7.2
110.51737	0.7
111.08090	1.2
116.98623	2.8
117.06997	1.1
119.04953	2.1
119.08588	14.1
121.06514	4.7
121.10146	12.9
123.08067	13.7
123.11683	3.8
131.08601	3.8
133.06483	3.0
133.10121	4.5
134.99680	1.2
135.08058	2.0
135.11687	3.2
137.05943	0.9
137.09622	13.2
142.07724	0.7
143.08545	1.8
145.10127	3.6
147.08035	4.1
147.11693	12.5
148.02486	1.2
149.09621	100.0
150.09917	0.9
151.07559	3.4
151.11171	1.8
151.14793	1.2
156.09360	4.2
158.99677	2.9
159.08057	1.4
159.11653	1.2
160.08871	1.5
161.06012	2.9
161.09596	3.0
161.13278	11.8
163.06203	1.0
163.11163	4.6
165.12747	6.5
166.04895	0.7
171.11665	5.6
172.57875	0.8
174.10406	3.5
177.00696	4.2
177.06789	1.4
186.07353	1.7
188.48074	0.7
189.09129	1.1
189.12756	26.0
207.13811	62.5
208.14104	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1381
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03934	6.1
55.05503	15.2
55.83815	2.7
56.96553	5.4
57.03436	3.2
57.07063	6.5
61.64198	2.2
65.03921	3.6
67.05505	44.4
69.03431	7.8
69.07064	12.8
70.11055	9.6
70.11461	5.1
71.04977	7.4
79.05492	50.5
81.03391	4.4
81.07061	33.2
83.04973	9.1
83.08604	4.8
85.02901	4.9
85.06534	5.8
91.05486	58.2
93.07047	100.0
95.04976	21.6
95.08605	35.6
97.06519	2.4
105.04517	3.3
105.07033	39.0
107.08604	21.8
109.02877	3.6
109.06532	15.8
109.10165	9.6
113.05956	2.9
115.96373	5.6
117.07021	7.4
119.04923	6.6
119.08588	34.4
121.06504	4.6
121.10161	18.6
123.08088	20.2
123.11703	8.4
125.05959	2.5
129.06985	8.6
131.08585	8.5
131.62068	2.3
133.06436	4.2
133.10104	13.4
133.97458	3.9
135.08051	4.3
137.05984	5.5
137.09621	7.7
143.03603	3.8
143.08545	6.7
145.10106	11.5
146.03607	2.6
147.04416	5.9
147.08055	7.8
147.11688	65.3
149.02330	2.3
149.09627	13.9
150.06386	2.4
151.07536	8.2
156.09343	6.6
161.05969	3.9
161.09622	8.4
161.13214	13.5
163.11121	4.3
165.09111	3.2
165.12733	9.8
171.11708	25.1
172.11009	2.6
174.10437	3.1
175.03944	3.2
179.06972	5.4
179.14299	2.8
189.09117	4.1
189.12715	24.7
189.16463	3.9
192.09323	2.9
192.14642	3.4
207.02888	5.3
207.06461	21.1
207.09969	8.4
207.11919	2.7
207.13782	75.8
207.17429	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	207.0498
Annotation	(R)-2-Hydroxybutane-1,2,4-tricarboxylate
Peak:m/z	Relative Intensity
55.01869	38.3
55.05495	6.1
56.96563	37.5
57.03433	62.6
57.07065	4.1
57.93402	2.3
59.04993	5.6
60.04504	4.4
60.95841	3.9
61.02923	33.0
67.05507	12.2
68.99769	5.0
69.03424	24.1
69.07065	6.9
71.01352	29.2
71.04989	14.3
71.58321	3.6
71.95217	2.5
73.02914	44.9
74.06065	2.7
75.04463	5.4
79.05485	6.8
79.91335	1.9
81.03387	5.6
81.07065	14.7
83.00868	3.6
83.01335	28.5
83.04964	8.9
84.96039	4.4
85.02420	3.8
85.02904	51.0
85.06561	2.7
87.00819	5.8
87.04467	38.3
89.02398	15.8
91.03965	4.5
91.05489	14.0
93.07069	12.2
93.07558	2.7
95.01330	20.5
95.04950	6.0
95.08607	23.3
97.02885	9.9
98.97581	12.6
99.00820	25.6
99.04440	5.5
100.02492	3.8
101.02374	100.0
103.03947	14.3
105.07011	16.6
107.04992	2.3
107.08597	11.8
109.02859	6.3
109.06497	8.2
109.10155	5.7
110.01289	3.0
110.97500	2.4
111.00811	17.4
111.04453	4.9
113.01702	2.9
113.02354	8.7
115.03925	83.6
116.98625	9.9
117.01846	3.6
117.06951	2.3
118.03539	3.3
119.01835	19.5
119.03404	4.9
119.04966	2.8
119.08551	19.6
120.00778	2.7
120.03387	2.3
121.01653	5.0
121.06525	3.2
121.10125	7.5
122.02273	2.4
123.08056	15.3
123.11667	5.1
125.07825	2.5
125.09598	2.5
127.03907	16.6
128.02304	9.2
128.98541	3.9
129.01828	44.2
131.01915	2.6
131.03392	24.2
131.08575	3.9
133.01596	3.2
133.03497	4.9
133.04970	8.8
133.06473	4.0
133.10110	8.8
134.99675	12.1
135.08067	3.4
135.11667	2.3
137.05957	4.3
137.09598	8.3
140.02304	4.6
141.01833	2.3
143.03413	41.1
143.08675	3.0
145.01581	2.1
145.10136	3.8
146.08093	2.4
146.99617	10.6
147.02873	32.4
147.04247	6.3
147.08031	10.7
147.11684	16.6
149.01230	3.0
149.02803	2.6
149.09622	11.6
151.02635	2.9
151.07530	6.3
152.02342	3.4
155.02855	3.3
156.01834	3.0
156.09286	2.4
157.01328	59.7
158.99640	5.1
159.02881	4.0
160.97583	8.2
161.01218	6.7
161.02940	19.5
161.04436	10.9
161.05818	3.7
161.09709	3.5
161.13260	9.9
163.02640	2.5
165.00726	7.8
165.03918	2.4
165.09088	3.2
165.12732	4.0
170.03389	3.8
170.99686	2.9
171.11728	3.7
174.10365	2.8
175.02383	13.3
175.03769	2.4
177.00662	6.3
178.98732	2.8
179.03978	5.9
179.05534	3.8
179.14203	2.5
184.03053	2.8
184.04570	9.4
185.02954	6.0
189.00648	9.4
189.04024	14.4
189.09360	4.6
189.12753	14.4
191.03865	2.5
193.00230	4.5
201.00670	4.8
201.30745	2.2
202.01176	2.8
202.05563	3.6
203.04100	4.1
206.98135	3.8
207.01453	2.9
207.03142	5.7
207.04889	3.8
207.06537	8.4
207.09898	5.3
207.13776	31.1
207.17432	9.4
219.01784	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	206.0777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67826	1.4
53.62010	1.3
56.05041	1.7
56.96566	24.3
57.07066	1.7
58.92670	1.5
67.52374	1.6
68.81265	1.5
69.03431	2.3
70.78931	1.6
70.79271	3.9
71.49429	1.5
74.21388	1.5
74.97630	1.5
81.07033	1.7
84.96033	1.9
98.97604	12.0
100.02457	2.7
101.00896	7.0
101.02551	2.1
116.98635	13.1
118.03483	2.1
119.01921	70.2
120.02042	3.8
120.03232	2.4
121.01675	6.3
121.97535	1.8
124.02460	4.6
134.99657	11.7
137.02954	38.5
138.03073	2.4
139.02605	4.0
141.05070	2.1
142.03500	100.0
143.03558	4.2
144.03253	4.6
146.91887	1.8
153.00667	2.6
159.06090	1.9
160.04555	58.7
161.02916	3.1
161.04785	2.2
162.04288	3.8
164.98662	2.0
165.03888	1.5
165.05086	8.5
173.01297	2.5
178.00883	1.8
179.00735	2.7
182.93761	1.6
182.98166	2.4
182.99673	7.9
183.03075	1.9
183.06218	16.4
183.97507	2.2
184.04550	3.5
188.99072	3.8
191.14314	3.4
200.49950	11.8
201.00664	26.2
201.02431	3.5
201.07239	4.9
201.49918	4.4
205.02646	1.6
212.00734	2.0
212.50565	2.2
219.01785	7.2
219.03621	2.5
224.02162	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	206.0446
Annotation	6-Hydroxykynurenate
Peak:m/z	Relative Intensity
53.03944	0.4
55.05502	0.3
56.05032	0.3
56.96563	1.8
57.03427	0.2
58.06580	0.2
58.42412	0.2
59.06119	0.2
60.04535	0.4
61.02940	0.3
68.05006	0.3
68.99801	0.2
69.03420	0.6
69.87309	0.2
70.03757	0.3
70.06595	0.3
71.59863	0.4
72.08133	0.2
74.06052	0.3
79.05477	0.5
81.03426	0.5
81.07060	0.4
83.06094	0.4
84.04501	0.3
84.08134	0.7
85.02908	0.9
91.05479	0.6
93.07072	0.4
95.04980	0.4
95.08595	0.3
97.02888	0.6
98.03182	0.6
98.09705	0.6
98.97575	0.4
104.04975	0.4
109.06445	0.2
109.07637	0.4
110.03214	0.4
110.06033	0.5
110.07182	0.3
110.76901	0.2
111.09151	0.3
116.98587	0.3
119.04981	0.4
123.96474	0.7
124.08723	0.3
126.40858	0.2
127.03948	0.3
128.98724	0.3
130.08635	0.3
132.04446	21.3
133.04816	0.3
134.99677	0.6
136.03830	0.3
144.10213	0.8
146.99623	0.3
148.08655	0.4
149.02359	0.7
150.02676	1.1
150.10272	0.3
151.03897	1.4
160.03960	0.5
164.06964	0.2
170.08028	0.3
177.00700	0.3
178.04988	100.0
179.05322	0.9
180.05415	0.3
185.04562	0.2
188.09100	0.3
188.12883	0.3
189.11371	0.3
191.14301	1.5
194.03035	0.2
201.00708	0.8
201.06598	0.4
206.04478	73.1
207.04822	0.8
219.01802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1951
Annotation	(+)-Theonellin
Peak:m/z	Relative Intensity
51.14633	0.7
53.03949	1.7
55.01863	1.8
55.05504	4.6
57.07075	12.1
60.04526	0.9
61.02919	0.8
65.03944	3.8
67.05513	6.0
69.03423	4.1
69.07065	12.7
71.04996	1.4
71.59193	0.8
79.05486	8.4
81.03429	4.7
81.07056	44.2
83.08621	2.7
85.02902	5.6
85.04842	0.8
91.05481	5.6
91.41650	0.7
93.03407	1.4
93.07045	37.4
93.33075	0.7
95.04973	1.4
95.08602	16.6
97.02280	1.6
97.02886	20.2
97.06550	0.8
97.10164	3.1
98.03188	1.1
99.04450	3.2
103.05425	0.9
105.07022	5.4
107.04947	1.0
107.08593	18.6
109.02883	15.7
109.10146	12.3
111.04457	1.4
111.11710	1.2
117.07024	1.7
119.08599	2.9
121.02869	7.8
121.03960	1.4
121.06490	2.4
121.10143	100.0
121.80801	1.0
122.10498	1.9
123.11715	6.9
127.03917	4.5
127.05862	3.0
131.08557	2.8
133.10146	1.5
135.08090	1.3
135.11691	11.3
139.03893	0.8
145.10155	3.8
147.04453	1.4
147.08055	1.1
149.02345	77.4
149.13257	23.0
150.02684	2.9
159.07976	0.8
159.11743	2.3
162.10341	1.0
163.11221	0.8
163.14841	3.5
167.03419	1.3
177.12697	2.0
177.16389	1.0
187.11176	2.2
187.14859	3.3
190.05003	1.2
191.14409	0.9
205.04918	1.6
205.06931	1.1
205.08987	2.8
205.12212	5.8
205.14165	2.7
205.15840	4.1
205.19534	15.3
206.08212	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	205.1587
Annotation	Khusitone
Peak:m/z	Relative Intensity
53.03938	0.8
54.62996	0.6
55.01870	1.1
55.05502	2.6
56.96552	2.6
57.03431	1.5
57.07073	5.5
58.12188	0.5
59.04983	0.7
60.04512	1.0
61.02891	0.7
65.03931	1.8
67.05506	3.7
69.03439	4.6
69.07068	3.0
71.04993	20.0
71.59875	1.0
73.02913	0.8
78.95265	0.5
79.05498	4.0
81.03422	4.3
81.07058	9.8
83.04984	1.1
83.08588	0.9
85.02905	5.7
85.04804	0.6
85.06534	0.7
85.31912	0.5
87.04465	1.1
91.05478	6.9
93.07041	12.7
95.04961	3.5
95.08607	18.5
97.02889	16.1
97.06505	1.2
99.04449	2.5
99.08069	1.3
103.05449	0.7
105.07030	32.5
107.04884	0.8
107.08600	11.4
109.02879	10.0
109.06535	1.8
109.10129	2.7
111.04443	0.9
111.08062	2.0
113.09642	14.4
115.30523	0.6
116.06206	0.9
117.06993	3.2
119.08585	13.4
121.02915	4.0
121.03670	0.9
121.06488	3.4
121.10138	9.5
123.08086	0.8
123.11691	1.6
125.09605	0.7
127.03922	3.7
129.07063	0.8
130.07735	0.8
131.04892	0.7
131.08569	11.5
132.09370	0.6
133.10146	3.2
135.08064	2.4
135.11673	2.3
137.09602	0.9
141.00716	0.6
142.03479	0.6
143.08563	0.7
144.09338	0.8
145.04918	1.0
145.06628	0.8
145.10120	24.3
147.08098	0.7
147.11688	33.5
149.02341	31.7
149.05972	1.1
149.09669	3.0
149.13205	1.4
150.02666	0.7
157.10138	0.7
159.08064	1.6
159.11679	7.3
161.09669	1.4
161.13264	4.6
162.06061	0.8
162.10414	0.7
163.11177	2.5
163.14798	3.4
167.03357	0.9
172.08836	1.1
172.40196	0.6
175.07576	1.2
177.09123	0.7
177.12732	6.3
187.07558	0.8
187.11234	4.5
187.14821	31.7
188.15218	0.6
190.09874	2.5
205.04979	1.8
205.08841	3.3
205.12357	16.6
205.15874	100.0
205.82076	0.7
206.08189	0.6
206.16196	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	204.1231
Annotation	Acetylcarnitine
Peak:m/z	Relative Intensity
53.47507	0.2
55.01872	0.4
56.96574	0.7
57.03440	2.0
58.06605	0.4
59.07388	0.2
60.04527	2.2
60.08165	13.4
61.02925	0.8
68.05032	0.8
69.03429	0.6
70.06610	0.2
70.82916	0.4
70.83290	0.3
71.05005	0.3
72.07635	0.2
73.02920	0.8
81.03444	0.2
81.76921	0.2
84.04497	1.1
84.08157	0.7
85.02905	100.0
86.03218	0.4
96.01556	0.2
96.04506	1.5
97.02895	2.0
98.01306	0.2
98.97603	0.3
99.04467	0.4
101.00906	0.2
103.03886	0.3
109.02866	0.3
110.06030	0.3
113.00849	0.2
114.05509	1.1
114.09166	0.3
116.98629	0.4
119.01918	0.9
121.01669	0.2
126.05502	1.5
127.03936	0.3
129.07835	0.4
130.35609	0.2
131.01903	0.5
138.03409	0.4
138.05489	0.7
140.04977	0.3
140.06998	0.3
143.01892	0.3
144.06566	0.2
144.10194	3.1
145.04958	10.3
155.01900	0.2
156.06587	0.4
157.03485	0.3
158.08063	0.2
158.12888	0.3
161.02975	0.7
163.04538	0.2
168.06532	0.5
173.03014	0.9
185.03009	0.4
186.07550	0.4
193.42120	0.2
203.04005	0.4
204.08984	2.5
204.12303	30.9
205.12589	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	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	1.1
55.05513	0.4
56.96569	2.3
57.03434	4.0
57.04558	0.4
58.25406	0.4
60.04529	1.4
60.08162	12.6
61.02928	3.4
68.05029	0.7
69.03413	3.7
70.32233	1.4
71.05005	1.2
71.06104	0.6
73.02914	7.1
81.03421	1.3
84.04500	0.8
84.08158	0.7
85.02901	100.0
86.03225	0.7
86.09697	0.5
87.04436	0.4
87.61279	0.4
94.02631	0.3
95.01334	0.4
95.21909	0.4
96.04511	1.7
97.02883	5.7
98.06005	0.5
98.97568	1.3
99.04460	1.0
101.00854	1.2
101.02436	0.3
102.02408	1.0
103.03976	0.5
109.02895	1.3
110.06025	0.5
111.02921	1.0
113.02390	0.5
114.02467	0.4
114.05521	1.4
114.06349	0.3
115.02375	0.5
115.03957	0.4
116.98621	0.9
117.02962	0.5
117.64438	0.4
119.01908	4.7
120.02004	0.6
121.01606	0.6
122.02180	0.4
123.02894	0.7
124.02731	0.4
126.05502	1.6
127.03958	1.9
128.02312	1.1
129.02925	0.7
129.03886	0.4
131.01913	2.5
132.03453	0.9
133.03436	1.0
134.99623	0.9
135.02899	0.4
137.02847	1.1
138.03383	0.8
138.05463	0.8
140.07027	0.5
141.03891	0.5
143.01857	2.3
144.02078	0.6
144.03403	1.3
144.10167	2.9
145.01593	0.6
145.03439	1.5
145.04962	9.4
146.99586	0.4
147.03983	0.8
149.02881	0.5
153.03911	0.9
155.01869	2.0
157.03461	1.0
158.08046	0.5
158.12871	0.8
160.07314	0.4
161.01613	0.6
161.02934	5.1
162.03091	1.1
162.04388	0.8
163.02625	0.7
163.04381	0.6
167.01912	0.4
168.06567	0.4
169.03368	0.5
173.01593	0.5
173.02966	5.4
174.03156	0.7
174.04433	0.6
175.02786	0.6
175.04439	0.5
183.05031	0.6
184.04890	0.6
185.02959	2.5
186.07515	0.5
187.02846	0.4
187.04436	0.5
191.03935	0.7
192.05460	1.3
192.55586	0.5
203.03973	2.0
204.08618	1.5
204.12233	25.0
215.03838	0.6
221.04964	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
53.03940	0.5
55.05512	6.7
57.07076	3.4
60.04516	0.7
67.05503	10.4
69.07069	14.1
69.68404	3.1
75.24988	0.6
77.01484	0.5
79.05051	0.7
79.05483	5.3
81.07059	21.1
81.23399	0.4
83.08618	5.0
84.04489	1.0
85.02900	0.6
87.84451	0.5
91.05473	10.0
93.07043	11.3
95.04954	0.7
95.08607	32.0
96.04478	0.7
97.02920	0.5
97.10159	1.7
102.23703	0.4
103.05445	0.9
105.07030	54.4
105.55562	0.4
106.07352	0.5
107.08595	17.0
109.06520	0.9
109.10160	21.1
110.10489	0.6
113.68383	0.4
114.05582	0.8
117.07010	2.4
118.07753	0.5
119.08579	58.8
121.10141	15.7
123.11708	4.3
126.05508	1.4
131.08560	3.5
132.09369	0.6
133.10132	49.6
134.10564	0.6
135.11705	5.0
135.54131	0.5
144.09308	0.5
145.10123	12.1
146.10878	0.6
147.11687	61.2
148.12184	0.8
148.41042	0.5
149.13316	0.7
157.10149	1.7
157.51747	0.5
159.11670	3.6
160.12444	5.1
161.09679	0.7
161.13252	25.3
173.13173	0.7
174.14070	1.1
175.14824	5.7
188.15678	0.7
202.38156	0.5
203.07024	0.6
203.10667	1.2
203.17958	100.0
204.08684	0.8
204.13872	0.8
204.18251	1.7
215.22076	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
53.03920	0.6
55.01889	0.6
55.05511	5.2
56.05009	0.6
56.11780	0.7
56.41755	0.6
56.96556	4.7
57.07077	0.9
60.04530	3.9
67.05173	1.1
67.05504	14.1
68.05020	1.6
69.07066	7.4
71.59760	0.9
71.60162	1.1
73.27772	0.6
79.05123	0.7
79.05491	8.2
81.03407	0.9
81.07057	31.5
83.08599	1.8
84.04495	4.5
85.02904	0.8
91.05473	12.1
93.06473	1.0
93.07041	14.8
95.04962	1.7
95.08606	53.0
96.04492	4.1
97.02902	4.4
97.03424	0.9
98.06074	0.8
100.02486	0.7
103.05478	1.1
105.07030	33.2
107.08593	35.4
109.06512	1.6
109.10153	29.4
114.05528	3.1
117.07007	1.2
118.03531	1.0
119.04927	0.9
119.08575	26.7
121.06467	1.0
121.10150	14.5
123.11712	6.0
126.05515	7.6
129.07025	1.8
131.08545	2.2
133.10124	22.7
135.11682	4.2
138.05527	1.2
142.07799	1.6
143.08556	1.4
144.06567	1.5
145.10126	3.9
147.04413	1.9
147.07967	0.8
147.11684	43.4
149.01241	1.0
157.10130	2.4
159.11713	2.4
161.09605	1.9
161.13254	12.7
167.02335	0.9
168.06627	1.5
170.10942	0.8
175.03902	5.4
175.14749	5.6
185.09531	1.3
185.13245	2.0
186.07620	1.5
187.90674	0.8
203.03378	3.0
203.05281	1.1
203.06944	3.8
203.10693	5.1
203.14394	8.8
203.17952	100.0
204.06781	1.4
204.08644	6.9
204.13818	4.2
204.18274	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	203.1066
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03955	0.8
55.01873	1.9
55.05512	4.9
56.05048	0.9
56.96576	4.0
57.03430	1.0
57.07084	1.3
58.53014	0.6
58.57064	0.7
60.04523	6.4
65.03942	1.7
67.05500	9.2
68.05035	1.5
69.03455	3.6
69.07066	4.8
70.74262	2.2
71.30027	0.7
73.16423	0.6
79.05492	9.5
81.03414	2.1
81.07046	11.6
81.07452	0.9
83.04977	1.7
83.08625	1.8
84.04511	3.4
85.02908	1.5
91.05478	19.0
93.07048	8.5
95.04964	4.2
95.08601	13.2
96.04502	2.2
97.02917	4.4
97.06541	5.8
103.05492	1.8
105.07027	44.6
107.04955	2.9
107.08588	7.1
108.77755	0.7
109.06511	2.9
109.10152	7.6
110.06023	0.9
114.05531	2.8
115.05457	8.2
116.06230	2.7
117.07018	19.6
119.08579	24.5
121.06531	3.0
121.10161	7.4
123.04427	1.1
123.11739	1.7
126.05539	4.7
127.03871	0.8
128.06219	8.6
129.06999	32.0
130.07831	6.1
131.00206	0.9
131.08572	34.0
133.06467	2.8
133.10126	17.3
135.08133	0.9
135.11703	1.9
141.07004	6.4
142.07776	61.3
143.08577	13.9
144.06641	1.0
144.09340	17.5
145.06508	3.8
145.10121	7.0
146.07256	1.3
147.04378	0.9
147.08052	5.2
147.11684	19.5
147.94032	0.9
149.01210	2.5
152.06029	1.2
155.08519	1.6
156.09283	1.1
157.06528	1.9
157.10126	100.0
158.10809	3.0
159.08064	2.8
159.11687	67.8
160.08801	1.6
160.12294	0.8
161.05991	2.6
161.09636	5.6
161.13248	6.8
167.02347	1.1
167.08582	1.5
168.06587	1.3
169.07602	1.0
170.07271	2.0
170.10902	1.3
175.07512	3.8
175.11163	11.6
175.14812	4.0
185.09612	44.8
185.13139	4.7
186.07599	0.9
188.08377	1.4
203.03328	2.3
203.05302	1.6
203.06978	4.8
203.10660	71.5
203.14285	16.8
203.17953	25.0
204.08658	4.6
204.10724	1.1
204.13799	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	202.9971
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96562	7.7
57.03413	1.7
58.99866	2.1
60.95826	1.5
62.49901	1.0
68.02222	1.1
69.03407	2.0
69.81216	1.1
71.58639	2.4
73.02906	2.4
77.00880	1.7
79.54740	1.0
81.03408	2.2
82.01440	13.1
85.02890	2.4
87.51748	1.1
92.76122	1.2
97.02913	6.1
98.97584	4.5
100.02485	100.0
101.00865	7.3
101.02538	1.6
101.97192	1.4
102.96873	6.7
103.00685	1.4
116.98616	7.8
118.03526	76.1
119.01925	83.5
119.98263	2.3
120.02007	39.6
120.97922	7.5
121.01671	3.8
123.04082	3.2
127.03927	1.3
131.01889	2.2
131.08565	1.1
133.03482	1.4
134.98752	1.1
134.99655	6.2
136.48361	2.2
137.02963	56.0
137.99321	2.9
138.03062	21.2
138.96460	3.2
138.98950	8.0
139.02666	2.3
141.05081	3.0
142.03493	9.4
143.01904	2.5
143.03607	16.7
145.03436	3.6
145.48888	4.8
149.02974	1.7
153.00603	1.2
156.96255	2.6
156.97488	35.6
156.99852	4.6
157.03452	6.6
158.48677	1.8
160.04576	5.2
161.02977	14.8
161.04674	10.4
161.76897	1.2
162.03093	8.1
162.04276	2.2
166.05136	1.2
171.00214	1.3
173.02878	2.4
174.98558	60.3
175.04460	3.4
179.00700	2.3
179.04021	25.4
179.49202	1.5
179.97864	9.3
179.99312	47.7
180.04091	25.9
183.05000	1.7
185.02982	2.1
185.04608	1.3
192.05565	4.2
197.99173	73.2
198.00310	31.6
198.06061	1.5
198.99173	1.7
200.00066	4.3
200.50047	3.7
201.06075	2.9
203.00775	1.9
203.03819	2.4
203.05608	2.3
203.10748	1.7
203.14372	1.3
221.01962	5.7
221.05086	3.0
223.84601	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	203.1066
Annotation	Ligujapone
Peak:m/z	Relative Intensity
53.03951	0.8
54.86521	0.7
55.01870	1.6
55.05509	6.1
56.96560	2.9
57.07072	1.0
60.04514	2.3
60.24989	0.6
63.48994	0.7
65.03945	1.7
67.05502	9.6
68.05042	0.7
69.03427	8.6
69.07059	4.5
70.06078	2.8
79.05489	9.4
81.07053	12.8
83.05005	1.6
83.08619	1.4
84.04501	1.8
90.18976	0.7
91.05476	18.0
93.07034	7.6
95.04999	3.6
95.08597	14.3
96.04500	1.7
97.02895	2.1
97.06525	5.3
103.05450	1.9
105.03368	0.7
105.07026	51.4
107.04956	3.2
107.08595	9.0
107.49113	0.7
109.06514	2.8
109.10151	9.9
112.72363	0.7
114.05537	1.7
115.05451	6.6
116.06232	2.2
117.07013	20.2
119.04945	1.3
119.08574	28.8
121.06499	2.7
121.10143	5.4
123.11707	2.5
126.05497	2.1
128.06221	7.1
129.07001	38.4
130.07814	5.7
131.08562	32.8
133.06474	3.1
133.10129	21.9
135.11711	1.8
141.06972	6.9
142.07773	64.8
143.08574	11.7
144.09341	19.2
145.06459	3.6
145.10109	5.0
146.07237	1.3
147.08044	3.3
147.11682	26.7
149.05948	1.0
150.06165	0.9
151.05156	0.7
152.06223	0.8
155.08553	2.2
157.10124	100.0
158.10672	2.6
159.06721	2.7
159.08075	2.1
159.11687	72.9
159.56889	1.1
160.07507	0.8
160.08838	2.6
160.12071	1.5
161.05968	1.3
161.08163	1.2
161.09618	8.2
161.13264	6.1
167.08594	1.0
168.07274	5.8
169.07652	0.9
170.07240	2.3
170.10886	1.0
170.57545	1.7
175.07538	1.7
175.11180	14.9
175.14847	4.1
179.58026	1.1
185.09608	51.2
185.13194	2.3
186.09909	0.8
188.08253	1.6
203.07196	1.7
203.10660	74.2
203.14149	7.5
203.17947	31.6
203.19383	0.6
204.08644	2.5
204.10860	1.1
204.17453	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	201.1639
Annotation	gamma-Calacorene
Peak:m/z	Relative Intensity
51.21835	1.5
55.05500	5.4
56.96553	3.7
57.03465	1.7
57.07080	7.8
67.05514	10.7
69.03419	2.9
69.07069	10.9
71.04983	2.0
71.08624	3.3
71.61089	3.1
73.14268	1.4
77.89175	1.5
77.94128	2.2
79.05491	8.8
81.03410	2.1
81.07053	26.0
83.08583	3.9
84.04479	1.8
85.06505	2.3
89.03383	1.7
91.05476	13.7
92.91896	1.5
93.07055	18.2
95.04971	3.9
95.08607	23.8
99.08003	1.8
105.07031	27.4
107.08607	24.2
109.10164	10.9
113.06025	1.8
114.05533	2.6
116.43042	1.4
116.98611	3.9
117.07014	17.5
118.96770	7.5
119.08581	21.3
119.77935	1.5
121.10180	14.6
127.03872	3.9
128.06180	3.2
129.06982	6.1
130.07767	6.9
131.08572	32.6
133.10126	11.4
133.99054	3.2
134.99677	3.7
135.99957	2.3
137.09642	1.8
141.05428	1.7
141.98325	2.0
142.07806	2.2
143.08553	6.9
144.09320	11.4
145.06497	2.5
145.10126	90.8
146.10597	1.8
154.96439	6.9
155.07033	2.0
155.08690	2.5
155.14334	1.8
157.10168	9.4
158.07266	2.0
158.10919	4.2
159.08078	3.4
159.11699	98.6
160.12129	2.3
166.09842	2.3
171.11707	4.6
172.12425	3.5
173.06006	2.6
173.09659	3.4
173.13261	20.3
177.98085	11.0
183.07948	2.2
186.10411	3.1
186.14037	5.3
201.05440	3.8
201.09042	8.2
201.12817	16.4
201.16386	100.0
202.16779	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	202.056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21911	0.7
56.05030	1.4
56.96564	1.9
58.64686	0.8
70.43372	0.6
71.35772	1.3
71.36112	1.0
76.88651	0.7
79.30730	0.9
82.99841	1.4
83.11205	0.8
98.97570	2.3
100.02470	2.4
100.97243	1.3
100.97950	0.8
101.00861	10.7
116.00262	0.8
116.98631	2.1
118.03516	3.4
118.98220	1.3
119.01919	100.0
120.02059	2.9
121.01644	1.5
124.02382	1.7
126.04025	0.8
134.99652	2.4
136.02733	0.9
136.04518	1.5
136.99260	1.3
137.02959	57.0
138.03079	1.5
139.02696	1.0
142.03494	44.8
143.01941	0.8
143.03622	1.2
160.04558	35.5
161.02954	23.3
161.04286	2.7
165.05130	2.6
178.03976	1.2
178.05618	9.0
179.04010	62.4
179.05334	2.3
180.04185	1.4
183.06160	1.4
184.04526	4.2
197.99110	0.9
202.05632	5.4
202.07251	1.1
205.40543	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	201.1273
Annotation	Lacinilene A
Peak:m/z	Relative Intensity
55.05498	3.0
56.96559	5.9
57.03436	2.4
57.07063	6.5
64.86511	1.5
67.05495	6.3
69.03416	2.5
69.07082	2.9
70.22735	5.6
70.23123	4.0
71.04990	3.4
79.05482	5.6
81.07054	9.8
91.05464	9.6
93.07034	5.2
93.14635	1.6
95.04939	5.0
95.08591	7.6
99.08107	2.4
105.07025	16.2
107.08584	3.6
109.06504	5.5
109.10154	5.9
115.05442	2.6
116.98595	2.2
117.07012	6.6
118.96796	17.8
119.08591	16.3
119.74457	1.7
121.06554	2.6
121.10167	3.0
126.63198	1.8
128.06216	7.0
128.76405	2.0
129.07037	9.3
130.07816	2.2
131.08559	20.2
132.96643	3.2
133.10150	3.2
133.99059	4.8
137.06003	2.1
141.06993	5.3
142.07799	18.6
143.08569	29.8
144.09311	7.2
145.06512	3.6
145.10129	19.1
147.11714	2.1
150.95819	2.4
153.06995	9.2
154.96449	4.2
155.08546	14.5
156.09175	1.9
157.10158	31.2
158.07295	2.3
158.10896	10.7
159.08032	13.1
159.10466	3.0
159.11705	44.0
167.08585	2.0
168.09340	24.5
171.08130	2.6
171.11751	1.9
172.08855	4.8
173.09613	7.0
173.13261	21.2
177.98045	15.0
183.08009	3.5
183.11697	39.5
186.10435	5.8
200.99675	4.1
201.05426	3.4
201.09132	7.6
201.12758	100.0
201.16504	18.4
201.23952	10.5
202.05124	2.3
209.06017	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	200.0918
Annotation	L-Anticapsin
Peak:m/z	Relative Intensity
53.03957	1.1
54.74279	0.5
55.01873	0.9
55.05512	1.3
56.05042	1.6
56.96564	14.0
57.03451	1.2
57.07072	1.4
58.06609	0.7
59.06129	1.3
59.93092	0.8
60.04522	1.1
61.02929	0.9
65.03962	0.8
67.05504	3.5
68.05035	1.8
69.03425	5.6
69.07064	5.0
70.02965	0.8
70.06596	2.0
70.94915	0.9
70.95245	1.3
71.95264	1.0
72.04521	0.8
72.08162	0.7
73.02902	1.0
74.06085	0.8
74.09711	1.5
75.01352	0.6
79.05507	2.0
80.05018	2.4
81.03415	1.3
81.07064	2.7
82.06590	2.1
82.46018	0.6
83.04984	1.3
83.06110	1.0
84.04506	1.7
84.08141	1.9
85.02911	2.5
86.06080	1.9
86.09703	3.8
87.04469	1.6
88.04003	0.9
90.94833	0.6
91.05477	4.2
93.05786	1.2
93.07036	3.3
94.06565	12.3
95.04987	2.0
95.08631	1.4
96.04502	6.2
96.08132	2.8
97.02906	2.6
97.06532	3.7
97.07666	0.9
98.06069	2.0
98.97582	40.6
100.03984	0.8
100.78632	0.6
102.05553	0.9
104.07101	1.0
108.04473	1.2
108.08118	11.7
109.06535	2.6
110.01266	0.8
110.06038	12.2
110.09770	0.7
111.08093	1.0
112.03985	1.6
112.07619	2.8
116.97287	1.5
116.98619	62.1
117.05776	0.8
117.97596	1.0
118.06544	1.7
118.96733	3.6
119.01816	2.1
119.04948	0.9
120.08116	1.2
121.06554	1.0
122.06033	31.7
123.04423	1.4
124.07593	3.3
126.05518	0.8
126.09151	1.0
128.02322	0.7
128.98575	0.9
134.01230	0.6
134.06010	1.3
134.99655	100.0
136.07579	35.0
137.03035	0.7
137.05978	4.5
138.05478	3.7
138.09094	3.3
139.07545	2.3
140.00186	2.3
140.07060	39.6
141.06581	0.9
144.08878	0.7
146.99641	1.3
153.00710	35.2
153.96674	0.8
154.08624	30.1
154.96555	0.8
155.07028	1.1
155.11845	0.8
156.06532	5.9
158.01266	9.8
158.99677	1.1
161.01341	0.9
164.07066	7.7
165.05470	1.2
172.09656	1.4
175.98515	1.3
176.02284	2.7
176.98489	1.9
176.98987	1.0
177.00604	5.3
177.01935	0.8
177.98067	2.8
181.05133	0.6
182.08113	42.1
182.11684	1.9
183.08459	1.0
188.54944	0.8
189.00630	1.0
191.03780	0.7
195.01721	3.6
200.09157	41.3
200.12512	1.1
200.18803	3.0
201.09377	1.1
218.03258	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	198.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05517	1.6
56.96567	42.4
57.03443	0.4
57.07091	1.3
57.70544	0.4
57.97380	0.4
60.08174	0.4
69.03443	0.9
69.07072	1.9
70.80466	1.1
70.90559	0.4
70.95880	0.4
71.08641	0.5
73.02926	1.4
73.06586	0.5
74.97634	0.5
81.03432	0.7
81.07065	0.5
83.08629	1.6
84.96035	0.4
85.02922	1.3
95.06104	1.5
97.02885	0.9
97.06541	0.5
97.10149	0.5
98.97592	2.9
107.04972	1.5
110.97563	9.2
116.97221	0.6
116.98627	1.7
119.01848	0.6
125.71970	0.4
128.02301	0.4
128.98608	19.3
134.99626	0.7
137.02347	1.5
138.96994	0.4
146.99655	18.5
147.05011	0.4
150.96881	0.6
151.97110	0.6
152.00146	0.5
154.13362	1.0
155.99522	0.4
156.98093	3.8
160.97556	0.7
161.01257	0.4
165.00713	4.1
170.06642	0.5
174.00584	0.4
174.99149	43.9
175.98485	0.7
178.02058	0.5
180.06628	0.7
181.02611	0.4
193.00214	100.0
194.00636	0.9
195.00612	0.4
198.00751	1.9
198.07274	0.3
198.18535	37.5
210.99327	0.7
211.01242	10.1
211.03296	0.5
214.45029	0.4
216.01793	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	200.0231
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74287	0.5
55.05522	0.8
56.05033	0.7
56.96562	14.2
57.03434	0.8
59.06110	0.5
68.05028	0.6
68.70673	0.6
69.03428	1.5
69.07069	1.3
70.06585	1.2
71.12126	0.9
71.12468	0.9
71.95257	1.5
72.08160	0.7
73.02927	0.8
74.09708	0.9
77.34168	0.6
81.03409	0.6
81.07070	0.8
81.10807	0.6
82.06590	3.9
83.08630	0.6
84.04491	0.6
84.08128	0.7
85.02914	0.9
86.06039	0.6
90.36253	0.6
96.04501	1.6
96.08133	1.0
98.97583	83.9
99.04504	0.6
100.07607	0.8
110.06061	1.1
110.97561	0.8
114.09155	0.9
116.00186	0.6
116.98618	100.0
119.01856	1.5
122.05985	0.8
126.00697	0.9
127.03865	0.6
128.07072	2.3
128.98576	0.8
134.01321	0.6
134.99657	97.7
135.99989	0.7
140.00157	3.0
140.07074	1.2
142.08630	0.6
146.99690	1.0
149.01280	0.5
153.00710	24.7
154.08604	0.9
154.12271	2.3
158.01257	11.6
158.99599	1.2
164.07039	0.5
168.03615	0.7
176.02328	2.9
177.00681	7.0
177.02029	0.6
177.98068	0.7
182.08093	1.2
183.08432	0.8
189.00725	0.6
195.01764	5.2
199.18886	4.9
200.09097	1.5
200.12810	5.0
200.19121	1.3
218.03259	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	198.0076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.5
55.05505	2.1
56.96567	41.8
57.03443	0.7
57.07082	1.0
60.08158	0.5
68.43021	0.3
69.03424	0.3
69.07083	1.3
70.29956	0.7
70.30350	0.6
70.98107	0.3
71.95277	0.4
72.04521	0.3
73.02916	0.5
74.97626	0.5
75.82317	0.3
79.09779	0.2
81.03403	0.3
81.07071	0.5
83.05009	0.4
83.08615	1.8
85.02898	1.4
92.01283	0.2
95.06092	3.1
97.02898	0.9
97.06518	0.3
97.10191	0.7
98.97049	0.4
98.97593	2.3
100.02488	0.5
100.07668	0.3
107.04961	0.5
109.02884	0.3
110.97570	9.6
112.99158	0.5
116.97229	0.9
116.98630	2.1
118.03523	0.5
119.01875	0.7
127.03871	0.4
128.02361	0.3
128.98608	18.0
132.95776	0.3
134.99666	1.5
137.02377	1.1
142.96541	0.9
143.00211	0.3
146.99657	19.6
147.05011	0.5
149.01236	0.3
150.96909	0.7
151.97168	0.5
152.07088	0.8
153.00780	0.4
154.13438	0.9
156.98062	4.0
160.97607	0.9
161.55032	0.3
162.05464	0.3
165.00722	4.2
170.01289	0.7
170.03050	0.3
170.06564	0.7
173.98586	0.4
174.00739	0.7
174.99152	40.6
175.98509	0.6
176.02319	0.4
177.00723	0.4
178.01990	0.6
180.06630	0.5
192.01843	0.3
193.00214	100.0
194.00633	0.7
198.00739	2.8
198.07584	0.6
198.18538	35.5
202.48456	0.3
210.99377	0.5
211.01254	12.0
216.01797	4.2
219.01767	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	197.1537
Annotation	Crocusatin G
Peak:m/z	Relative Intensity
53.03934	1.3
55.01877	3.3
55.05511	28.0
56.96560	2.0
57.03438	4.4
57.07075	4.3
60.00650	0.9
65.03935	1.1
67.05508	37.8
69.03427	2.3
69.07069	25.9
70.95866	8.8
71.01364	2.5
71.04996	16.6
72.93790	3.2
73.06580	1.7
79.05497	18.0
81.07058	71.1
82.07397	1.1
83.04984	7.4
83.08620	22.3
85.06545	19.0
87.04480	1.0
88.96917	1.4
90.94818	1.2
91.05484	20.7
93.07045	25.5
94.07369	0.8
95.04948	4.2
95.08608	100.0
96.08949	1.0
97.06533	25.1
97.10177	8.6
99.08097	6.7
101.06052	1.7
105.03396	1.1
105.07030	25.8
107.08593	18.5
109.06519	6.1
109.07142	1.0
109.10162	9.6
111.08076	5.3
111.98497	7.5
113.06025	1.4
113.08253	1.2
113.09671	1.7
113.96434	1.7
115.07557	2.0
117.07026	1.6
119.04940	0.9
119.08585	36.4
121.06524	0.9
121.10133	10.8
123.08077	8.8
123.11715	2.5
125.09682	1.3
127.07564	2.5
129.99516	4.4
132.95833	7.6
133.10135	32.0
135.11696	21.9
137.05951	1.7
137.08162	1.0
137.09642	4.5
137.13255	16.8
139.07542	0.9
141.05481	1.2
141.09119	2.1
150.96893	22.3
150.99173	1.6
151.03920	2.3
151.11183	2.9
151.14827	1.3
155.10681	2.5
155.97404	9.5
156.09341	1.0
161.09637	3.7
161.13263	64.1
162.13588	1.2
167.08572	0.9
168.97954	1.2
169.00270	1.3
169.10103	1.5
173.98492	20.1
179.10696	11.9
179.14305	33.7
197.00072	2.4
197.06038	1.6
197.08076	2.0
197.09785	1.8
197.11681	12.5
197.13304	3.4
197.15337	18.0
198.18529	26.5
212.01793	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
51.37049	0.8
53.03947	9.3
55.01869	2.5
55.05509	8.5
56.96564	1.4
57.03431	1.2
57.06826	1.5
57.07078	18.8
65.03925	0.9
67.05506	9.9
69.03403	1.9
69.07069	5.1
69.34727	5.9
69.35162	3.6
70.95869	5.8
71.01354	19.9
71.04983	3.8
72.93781	3.6
79.05085	1.1
79.05489	8.3
81.03412	19.1
81.07059	22.8
83.04983	2.2
83.08610	3.5
85.06532	7.9
85.10154	2.3
88.96901	1.5
91.05478	12.0
93.07041	10.0
95.04975	10.7
95.08599	7.6
97.02879	1.4
97.06536	6.9
99.04458	1.1
100.07706	0.8
105.06387	1.2
105.07039	14.9
107.08601	14.5
108.05753	1.3
109.06529	10.5
109.10146	8.7
111.08073	2.1
111.98465	8.5
113.08246	3.8
115.05447	1.0
117.54760	0.9
119.04906	1.5
119.08582	2.4
121.06499	1.8
121.10123	1.6
123.04401	3.2
123.08111	1.8
123.11694	4.2
125.06001	9.5
125.09622	3.8
125.61661	0.9
127.50655	1.0
129.99525	5.3
131.08531	1.6
132.95842	9.1
133.10141	20.4
135.11714	5.2
137.06000	5.1
137.09656	1.8
139.11177	1.0
141.05463	28.5
143.08519	1.3
146.07262	1.7
150.06693	0.9
150.96896	21.2
150.99086	2.1
151.03946	1.3
151.07579	1.0
151.09985	1.2
151.11191	21.0
153.09087	1.2
154.06419	0.9
155.10660	15.0
155.97430	10.3
161.09607	8.3
169.00134	0.9
173.98494	18.4
179.09105	2.3
179.10670	42.7
197.00049	2.3
197.11740	100.0
198.12085	2.0
198.18518	16.9
198.52838	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
50.53734	1.5
53.03938	3.2
55.01865	2.8
55.05497	7.1
56.96557	3.0
57.07081	11.1
59.04996	2.3
67.05509	11.7
69.03416	3.5
69.07075	9.1
69.98782	7.4
70.95514	1.9
70.95870	25.7
71.04996	3.0
72.93793	10.5
73.02921	2.1
78.53712	1.4
79.05488	7.1
79.06217	1.8
81.03397	4.5
81.07059	17.0
83.04987	3.1
83.08607	3.9
84.04513	11.6
85.02902	2.2
85.06535	6.4
86.09711	11.4
88.96892	6.9
90.94834	3.6
91.05485	14.7
92.84451	1.4
93.07056	22.8
95.04985	12.2
95.08616	12.6
96.05588	1.6
97.06521	3.8
97.10161	1.9
98.20699	1.5
99.04425	2.3
103.11802	1.5
105.03460	1.7
105.06365	2.8
105.07034	28.0
107.08601	58.5
108.95857	1.6
109.06522	7.1
109.10155	11.5
111.98475	18.3
113.06034	2.6
113.08257	8.1
113.96387	3.4
114.94872	1.7
119.04980	2.5
119.08586	9.7
121.06491	5.1
121.10113	3.6
123.04426	4.4
123.08025	2.7
123.11730	4.5
125.05992	6.2
125.22422	1.5
129.99519	15.9
131.08563	2.2
131.97452	3.1
132.95851	26.0
133.10147	53.1
135.11702	48.9
137.05948	4.7
137.08200	3.6
137.09593	6.6
138.06700	1.7
139.07458	2.5
141.05469	5.6
143.08624	2.2
150.96899	83.7
151.03915	6.5
151.07584	2.9
151.11191	9.2
153.01091	3.2
155.09262	5.9
155.97441	30.8
161.09624	28.1
167.10699	2.1
168.97943	5.4
169.10104	2.7
173.98506	67.4
174.98807	2.4
179.09355	3.7
179.10681	92.8
182.10930	2.5
197.00035	7.5
197.06050	2.3
197.08022	6.9
197.10172	4.5
197.11746	100.0
197.13205	4.9
197.15433	3.2
198.18539	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	197.1171
Annotation	Tschimganical A
Peak:m/z	Relative Intensity
53.03922	1.8
55.01859	3.4
55.05505	9.5
55.93519	1.7
56.96563	2.2
57.07061	4.0
67.05500	8.7
69.03417	4.8
69.07053	7.0
70.95859	26.3
71.01320	2.1
71.04988	4.0
72.93777	14.5
73.02914	4.2
79.05498	9.2
81.03402	2.0
81.07053	16.3
83.04984	2.7
83.08605	4.7
84.04523	2.3
85.02872	2.6
85.06544	4.6
88.96895	4.8
90.94814	4.7
91.05473	18.9
93.07050	28.0
95.04952	7.3
95.06065	3.7
95.08606	12.0
97.06520	5.9
97.34236	1.6
98.97563	2.9
99.04438	5.9
105.03412	2.7
105.07027	32.8
107.08592	100.0
109.06501	8.7
109.10155	10.7
111.08113	3.7
111.98473	26.2
113.05976	1.8
113.08263	12.3
113.96349	3.8
116.98664	1.6
119.04967	1.7
119.06039	1.6
119.08572	18.1
121.06483	5.0
121.10139	16.7
123.04462	2.7
123.08064	4.6
123.11684	4.9
125.05970	2.0
129.99525	19.8
131.08525	3.7
131.97450	2.4
132.95831	29.3
133.10127	72.8
133.57643	1.8
134.99673	1.9
135.11679	18.4
137.05989	7.5
137.08223	4.7
137.09583	8.6
138.06709	2.0
139.07524	4.8
141.05423	2.6
143.08575	2.2
146.07266	2.0
149.09612	8.6
150.48639	1.7
150.96892	89.6
151.03874	7.3
151.07527	4.9
151.09372	2.3
151.11194	22.0
152.10651	1.7
155.06995	1.7
155.09355	3.1
155.97414	34.0
161.09596	23.6
161.13260	2.7
167.10657	29.6
168.97945	5.1
169.10187	4.3
173.98495	87.8
179.07065	2.4
179.09267	3.8
179.10666	71.9
179.14230	3.3
182.10989	4.0
197.00140	6.7
197.05984	4.1
197.08015	4.4
197.10175	3.5
197.11722	93.4
197.13159	4.5
198.18535	78.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1173
Annotation	LOLIOLIDE
Peak:m/z	Relative Intensity
55.01865	3.1
55.05510	11.3
55.93507	2.3
56.05038	2.0
56.96562	2.8
57.03436	1.5
57.07065	6.0
59.04989	2.9
59.06102	1.4
67.05500	8.6
68.05013	1.3
68.99780	3.8
69.03425	3.9
69.07063	7.5
69.72227	6.3
69.72648	3.7
70.95867	29.9
71.01352	1.4
71.04989	3.4
71.06121	1.4
72.93784	17.6
73.02919	3.0
79.05501	4.8
81.07056	16.6
83.04981	4.5
83.06104	1.5
83.08617	5.2
85.02947	1.5
85.06536	4.1
88.96895	8.6
90.94807	7.2
91.05479	11.2
93.07036	14.8
93.09787	1.4
95.04976	15.0
95.06052	2.2
95.08602	7.5
96.05621	3.6
97.02866	2.8
97.06531	5.4
97.10162	3.4
97.57248	1.3
98.97610	2.4
99.04450	5.4
105.03427	1.6
105.07041	15.5
107.08595	29.0
107.38371	1.3
109.06503	10.4
109.07646	1.7
109.10157	7.9
110.07215	1.7
111.04453	2.3
111.08114	2.6
111.98477	28.5
113.05974	2.5
113.08259	17.1
113.96387	4.6
116.98653	1.8
119.08589	5.9
121.06453	3.1
121.10154	4.2
123.04504	2.7
123.08094	4.1
123.11710	4.8
125.05995	27.0
125.09644	3.2
127.03904	6.9
129.99513	24.5
131.97453	3.2
132.95831	32.5
133.04155	1.6
133.10129	33.5
134.99643	1.6
135.08049	2.8
135.11696	24.2
137.05975	22.5
137.08212	7.9
137.09598	4.7
138.06577	3.3
139.07498	2.3
141.05476	2.4
143.08562	1.8
150.96886	100.0
151.03951	8.5
151.11176	8.1
152.07048	1.6
152.10696	1.9
153.01096	2.0
153.09134	3.5
155.09312	12.4
155.97415	41.6
161.09622	15.5
161.13260	3.4
168.97960	5.3
173.98492	90.4
174.98807	2.1
177.00740	1.7
179.07103	3.7
179.09242	5.8
179.10667	52.5
179.14334	2.5
179.69670	1.6
182.10915	1.9
191.99579	2.1
197.00072	11.5
197.06128	2.3
197.08041	4.9
197.10225	4.5
197.11758	43.1
197.13287	4.6
197.15439	2.4
197.17252	3.2
198.18529	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.081
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01870	2.7
55.05501	1.1
55.93514	0.9
56.96552	0.9
57.03427	0.8
57.07074	0.8
59.05003	0.4
59.06125	0.8
65.03938	1.1
67.05511	3.2
69.03436	0.7
69.07031	0.5
70.72791	1.4
70.95866	13.0
71.01347	0.6
71.04984	1.1
72.08123	0.5
72.93789	6.9
73.02919	20.8
79.05491	1.6
81.03396	0.8
81.07069	2.7
83.04977	0.8
83.06098	0.5
85.02927	1.2
85.06535	0.6
87.09431	0.5
88.96905	3.2
90.94827	1.9
91.03938	0.8
91.05479	4.4
93.07043	3.1
95.04971	3.6
95.06087	1.0
95.08585	2.5
96.05577	0.7
96.96123	0.5
97.02864	0.7
98.05979	0.5
99.04465	0.9
103.05533	0.6
105.07023	3.3
107.04997	0.5
107.08610	5.3
108.02130	1.4
108.95853	0.8
109.02911	0.8
109.06519	1.4
109.10161	1.8
110.03674	2.2
111.04459	2.7
111.08125	0.4
111.98477	12.1
113.08243	4.6
113.96372	1.2
114.94788	0.6
119.04935	2.2
119.08575	1.5
121.06509	1.0
121.10136	0.5
122.07171	0.5
123.04427	0.7
123.08070	1.0
123.11712	1.1
124.06516	0.5
125.05997	19.3
126.06635	0.6
129.99525	9.4
131.01894	0.6
131.08572	0.6
131.97452	1.0
132.95833	14.8
133.10124	7.5
135.11668	4.3
137.05968	2.6
137.08170	2.4
137.09662	1.0
138.06633	0.8
139.07567	0.7
141.05443	3.3
147.04393	0.9
149.06001	2.5
150.96893	46.7
151.03909	100.0
151.04977	5.8
151.07477	4.9
151.11168	1.9
152.04225	1.1
153.01096	0.8
155.09329	2.6
155.10515	0.8
155.97424	17.0
161.02989	1.0
161.09650	2.9
168.97961	3.1
173.13260	0.5
173.98503	40.3
174.98541	0.6
179.05504	1.1
179.07030	23.0
179.09383	1.0
179.10637	7.8
191.99541	0.9
197.00122	4.0
197.01761	0.8
197.06230	1.2
197.08105	12.2
197.10001	1.3
197.11740	7.8
197.13402	1.0
197.17491	0.5
198.18513	1.7
210.79575	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
53.03932	1.5
55.01864	3.6
55.05263	1.7
55.05513	27.4
56.96557	5.2
57.03429	5.6
57.07087	13.8
59.04990	2.3
60.95842	1.9
65.03948	2.2
67.05502	25.9
68.96343	3.0
69.03422	5.3
69.07070	38.8
70.19923	6.1
71.01331	1.3
71.05000	9.3
71.08623	3.2
79.05490	27.1
81.03411	3.1
81.07058	83.9
83.04974	5.6
83.08617	22.3
84.59579	1.5
85.06550	14.6
89.03921	2.2
89.06031	7.5
91.05492	13.3
93.07045	61.4
95.04967	7.1
95.08610	95.4
97.06535	8.3
97.10176	16.7
98.97553	2.3
99.04466	1.3
99.08094	8.3
103.05507	1.8
105.04491	1.7
105.07024	9.2
107.04955	9.6
107.08597	76.7
109.06515	6.3
109.10159	36.6
109.98922	2.0
110.07098	1.6
111.04433	3.2
111.08078	7.3
111.11719	3.0
113.09645	3.5
113.96419	1.6
117.03407	2.7
119.08580	6.7
121.06517	5.8
121.10145	87.8
123.08097	3.3
123.11706	25.3
125.09679	7.4
125.10451	1.2
127.99982	2.4
130.96295	2.0
131.08566	4.9
131.97475	2.3
133.02863	2.0
133.08533	1.7
133.10153	4.2
135.04436	6.5
135.08073	4.5
135.11703	36.8
136.05064	3.5
136.07631	1.6
137.09630	4.4
137.13263	25.2
138.06612	2.9
139.07558	1.4
139.11159	9.4
145.02859	7.0
148.97362	8.7
149.05991	1.8
149.09613	8.2
149.13315	8.9
149.97258	4.1
150.09122	1.3
151.11244	2.0
151.14838	6.6
152.06116	2.8
153.05460	2.0
153.09210	2.3
153.12621	1.9
153.97894	2.5
159.11699	5.9
163.03928	17.0
163.07587	3.6
165.06996	3.9
166.98470	1.6
167.07147	1.6
167.08559	3.1
167.98291	1.3
169.94548	1.3
171.98965	6.5
172.98824	2.6
177.05484	10.9
177.09183	6.2
177.12885	8.9
177.16391	100.0
180.09344	3.6
181.05727	2.7
192.49641	1.2
195.02924	7.1
195.06499	4.7
195.07950	8.3
195.09982	6.4
195.11765	3.9
195.13731	8.4
195.17467	38.0
195.19170	1.5
196.09738	1.5
196.17036	1.5
211.42841	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	195.1381
Annotation	1alpha-Hydroxyisoondetianone
Peak:m/z	Relative Intensity
53.03932	3.3
55.01865	4.3
55.05508	7.4
55.92657	2.4
56.96563	5.3
57.03436	3.1
57.07071	4.3
59.05010	2.6
63.01970	2.4
65.03935	3.2
67.05505	21.9
69.03420	3.0
69.07055	12.7
69.84411	4.5
69.84827	11.3
71.04962	4.3
71.95267	7.6
79.05496	85.4
81.03397	4.2
81.07064	40.5
83.04993	7.2
83.08618	4.3
89.06047	14.0
91.05481	12.8
93.07050	42.3
95.04980	7.0
95.08620	16.4
97.06538	25.2
97.10163	3.6
98.20836	4.6
105.07033	6.6
107.04949	10.7
107.08595	24.6
109.02964	2.7
109.06503	3.3
109.10165	6.4
111.04462	14.5
111.08080	5.0
117.03381	5.4
117.07007	4.5
121.06548	4.9
121.10158	12.1
125.05991	32.4
125.09656	2.8
131.08556	6.7
131.96146	6.5
133.02852	9.4
133.10164	7.2
135.04407	8.3
135.08066	7.0
135.11667	17.4
137.09604	3.1
145.02879	13.4
148.97359	4.6
149.05995	3.1
149.09653	6.4
149.13268	50.2
149.97223	8.7
153.79973	2.3
159.11667	8.6
163.03909	100.0
165.07016	12.4
171.99019	3.5
172.98872	7.1
177.05463	19.5
177.09166	5.0
177.12727	27.0
177.16414	12.7
180.09370	16.9
195.02913	15.5
195.06525	8.1
195.08607	6.4
195.10156	5.3
195.11699	34.3
195.13812	22.7
195.15579	4.2
196.16949	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	195.1382
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03948	2.6
55.01869	4.5
55.05515	13.9
56.96566	8.3
57.03426	4.0
57.07060	3.3
60.32909	1.0
65.03917	3.3
67.05509	87.0
68.96345	1.4
69.03414	3.8
69.07074	20.7
71.01357	1.9
71.04998	8.8
71.95265	1.3
72.93800	1.2
73.02892	1.1
73.18674	1.0
79.05497	37.4
81.03403	4.3
81.07062	100.0
82.06519	1.2
83.04987	11.8
83.08623	12.0
84.08144	1.3
85.02909	3.1
85.06564	5.7
89.03941	1.1
89.06057	7.2
91.05487	24.3
93.07049	55.7
95.04977	10.4
95.08614	42.5
95.87016	1.0
97.06536	18.5
97.10165	4.3
99.04482	1.8
99.08092	4.8
100.02470	1.1
103.05447	1.7
105.07040	12.2
107.04967	6.4
107.08603	28.1
109.06532	7.5
109.10172	5.7
111.04457	2.4
111.08095	10.1
113.09666	1.9
113.96404	2.1
117.03345	3.2
117.07023	12.8
119.08576	3.7
121.02888	1.4
121.06492	4.8
121.10153	17.9
123.08107	3.0
123.11711	2.5
125.05991	4.9
125.06853	1.1
125.09640	2.4
129.05460	1.4
130.96294	1.2
131.00194	1.5
131.08571	19.0
131.97430	2.1
133.02827	1.3
133.10130	19.4
135.04413	3.6
135.08061	7.4
135.10680	2.2
135.11699	38.9
136.05069	1.1
137.05945	2.4
137.09578	2.7
137.13258	2.0
138.06606	2.6
139.03850	1.1
139.07498	2.1
139.11169	1.9
145.02840	4.8
147.11673	1.9
148.97353	4.2
149.01227	1.6
149.05914	3.6
149.09659	3.9
149.13275	40.0
149.97185	1.3
151.11214	5.6
153.05431	1.7
153.09140	3.5
153.97864	1.9
154.06261	7.3
159.11705	29.5
161.02907	2.4
163.03923	17.8
163.07603	2.1
163.11162	1.5
165.06990	2.8
167.07047	11.6
167.08470	2.4
171.98967	2.7
172.98903	1.4
177.05482	7.7
177.09160	3.0
177.12759	28.1
177.16386	9.2
180.09372	3.0
195.01288	1.0
195.02887	7.2
195.06480	3.2
195.08318	5.7
195.10158	10.8
195.11775	6.6
195.13808	32.3
195.15681	2.4
195.17361	5.4
196.17018	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	195.1379
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
53.03934	3.9
55.01856	5.3
55.05513	19.2
56.96565	9.9
57.03440	10.2
57.07061	2.8
65.03932	2.9
67.05502	69.8
68.05811	2.1
69.03413	3.3
69.06715	1.9
69.07063	18.8
70.06559	1.4
71.04974	6.1
71.95239	4.8
72.93787	2.7
73.02924	1.8
79.05066	2.7
79.05492	37.7
79.51181	1.3
81.03425	8.2
81.07054	100.0
83.04980	12.3
83.08611	11.6
85.02842	1.8
85.06540	5.0
85.42191	1.3
89.03880	1.8
89.06035	7.0
90.12242	1.3
91.05476	25.2
93.07040	64.0
95.04961	12.6
95.08605	35.7
97.06524	14.3
97.10162	2.0
99.04486	2.0
99.08086	3.4
100.02483	1.8
103.05482	1.4
105.07036	12.7
107.04955	5.4
107.08589	36.8
109.06505	4.6
109.10143	4.5
110.70797	1.2
111.04433	2.1
111.08057	6.1
113.96387	1.8
117.03362	3.4
117.07021	10.7
118.03509	3.9
119.08574	3.0
121.06528	7.3
121.10137	17.6
123.08060	14.3
125.05984	2.9
125.09647	1.9
127.03899	1.6
131.08554	15.3
131.96077	2.6
131.97447	3.1
133.02835	6.3
133.06442	2.4
133.08609	1.8
133.10126	13.6
134.04924	1.7
135.04419	7.3
135.08031	5.5
135.11699	27.5
137.13243	2.4
138.06648	2.1
139.07552	1.7
143.05426	3.8
145.02831	7.9
148.97346	5.5
149.01193	2.4
149.05981	2.7
149.09601	4.3
149.13251	25.8
149.97186	5.3
151.11192	3.0
153.09026	2.0
159.11687	20.0
163.03900	73.1
164.04190	3.0
165.07043	6.1
167.02275	1.4
167.08475	2.6
171.98967	3.7
172.98837	4.1
174.08015	4.7
175.02794	1.9
177.05508	10.6
177.12740	17.1
177.16393	7.3
180.09341	4.0
183.08511	9.2
183.58752	1.6
185.58849	2.1
194.59357	2.4
195.00777	1.4
195.02892	8.8
195.06487	3.1
195.08578	4.4
195.10117	4.2
195.11728	9.6
195.13797	23.1
195.15692	3.5
195.17421	1.7
196.00412	1.6
196.06192	1.8
196.17021	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	195.138
Annotation	Lyratyl acetate
Peak:m/z	Relative Intensity
52.46749	0.8
53.03941	2.4
55.01878	3.6
55.05510	15.3
56.96566	1.8
57.03436	6.4
57.07071	3.3
63.77205	0.7
65.03931	2.0
67.05503	60.9
68.71609	0.9
69.03428	1.4
69.07063	18.7
69.96646	3.7
71.01347	2.1
71.04988	6.3
71.95267	2.1
72.93827	0.8
77.03892	1.1
79.05490	35.6
81.03420	6.3
81.07053	100.0
82.07384	1.3
83.04981	13.2
83.08614	12.7
85.06538	3.9
89.06052	2.1
91.05481	24.8
93.07038	60.2
94.07346	0.9
95.04961	8.8
95.08604	36.9
97.06535	13.2
97.10172	2.2
99.04494	0.9
99.08092	2.6
105.04493	1.1
105.07023	10.7
107.04935	2.2
107.08592	26.4
109.06493	5.1
109.10143	4.5
111.04447	1.3
111.08083	8.4
112.56112	0.7
113.05971	1.0
113.09675	1.0
113.96401	0.7
117.03384	1.0
117.07015	9.7
118.03554	0.9
119.08602	3.3
121.06484	4.0
121.10134	13.0
123.08089	1.2
123.11692	1.3
125.05916	0.8
125.59556	0.7
131.08560	12.9
131.97397	0.8
133.02853	2.3
133.10126	14.9
134.61484	0.8
135.04414	2.6
135.08052	4.4
135.11690	27.8
137.09589	1.4
139.07585	1.3
145.02850	2.8
145.58478	0.9
148.97382	2.5
149.06009	1.4
149.09647	2.0
149.13251	26.9
149.97192	1.8
151.11154	1.8
153.09103	1.5
159.11681	20.7
160.59106	0.9
163.03893	28.1
164.04170	0.8
165.06976	1.4
166.67201	0.7
167.08568	1.1
171.98984	2.1
172.98828	1.5
177.04121	1.1
177.05415	4.9
177.09074	1.1
177.12740	14.4
177.16394	2.9
180.09413	1.3
195.02908	3.3
195.06541	1.6
195.08731	1.4
195.10152	2.2
195.11842	4.1
195.13846	19.9
195.15585	1.3
195.17476	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	195.138
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
51.35678	1.0
53.03941	4.0
55.01871	2.3
55.05506	10.1
56.96558	2.6
57.03437	6.0
57.07072	3.9
60.45024	1.2
63.73246	0.9
65.03930	1.1
67.05500	12.4
69.03425	3.1
69.07069	19.9
69.43136	8.1
69.43550	1.4
71.04990	8.0
71.95255	1.4
72.93792	1.1
73.17946	1.1
79.05489	27.6
81.03411	2.4
81.06579	1.6
81.07056	26.0
83.04990	2.8
83.08630	5.4
85.06512	2.5
89.03915	1.6
89.06027	6.0
91.05478	17.4
91.88750	0.9
93.07044	40.6
93.07637	2.4
95.04967	10.2
95.08602	15.0
97.06522	3.1
103.05491	1.3
105.07018	13.0
107.04948	6.3
107.08589	25.5
109.06532	7.6
109.10137	1.8
111.04494	1.2
111.08087	1.7
113.96397	1.9
115.05458	2.0
115.23774	0.9
117.03416	2.1
117.07009	9.4
117.65516	0.9
119.08589	9.1
121.06505	8.9
121.10146	13.0
121.15997	1.0
123.08057	8.2
123.42603	1.0
124.07602	1.3
125.07916	1.2
125.09638	1.6
129.07050	1.7
130.07773	2.1
131.08557	13.9
133.02834	8.2
133.06511	6.4
133.08548	1.2
133.10080	5.2
135.04388	8.3
135.08060	5.7
135.11688	9.0
137.06000	1.5
137.09627	3.3
138.06650	2.0
144.09360	3.5
145.02843	5.7
148.97382	3.0
149.02335	1.1
149.05957	2.9
149.09665	2.4
149.13266	8.4
149.97206	1.9
152.06081	1.5
153.05498	1.5
154.06262	1.1
159.11700	8.5
163.03905	100.0
164.04254	3.7
165.07037	2.9
167.02339	1.0
167.08533	1.6
167.12582	1.0
171.98981	3.0
176.83104	1.2
177.05496	9.0
177.09109	2.7
177.12752	9.8
177.16368	4.4
180.09314	2.6
195.02904	4.2
195.06474	2.8
195.08521	3.0
195.10188	3.3
195.11787	4.4
195.13811	6.2
195.15677	2.5
195.17404	1.8
196.16969	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	195.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33242	0.7
53.03937	1.1
55.01867	3.5
55.05506	4.6
56.96562	4.3
57.03432	2.2
57.07047	1.3
65.03942	5.0
67.05509	7.8
68.99784	2.6
69.03428	2.0
69.07065	6.2
71.05002	1.9
71.58994	0.7
73.46531	0.7
79.05495	12.8
81.03407	2.5
81.07056	15.4
82.06593	0.7
83.04992	3.9
83.08604	2.2
85.06532	1.5
89.03907	1.1
89.06037	5.3
91.05475	7.8
93.03404	5.5
93.07040	12.7
95.04982	5.9
95.08608	11.1
97.06520	3.0
97.10154	1.8
99.04454	0.9
103.05473	22.8
105.07035	12.7
106.04173	0.8
107.04960	32.9
107.08603	11.3
109.02842	1.5
109.06528	2.6
109.10171	3.5
109.98963	1.2
110.39619	0.8
111.04433	6.5
111.08080	2.4
115.05453	2.7
117.03352	2.9
117.07007	2.8
119.08579	2.8
120.05770	1.7
121.02879	1.4
121.06548	4.0
121.10136	10.7
123.04450	0.9
123.08087	1.5
123.11740	2.0
124.05198	1.7
125.05994	1.8
125.09632	2.3
127.99989	1.2
130.96298	1.0
131.04933	4.1
131.08569	2.7
131.97438	1.2
133.02849	1.4
133.06480	1.6
133.10156	3.2
135.04433	3.8
135.07114	1.4
135.08057	20.3
135.08998	1.7
135.11691	11.1
136.07607	1.1
137.05994	1.7
137.09596	2.7
137.13264	3.5
138.06622	3.4
139.03903	25.7
139.11211	1.0
143.05394	1.6
145.02853	4.4
145.06528	0.9
146.05931	0.9
147.04424	1.0
148.97369	4.0
149.01259	0.9
149.02440	0.8
149.06004	2.8
149.09604	4.1
149.13254	4.3
149.97211	1.3
151.11151	0.9
152.06046	2.0
153.05481	1.2
153.09126	5.4
153.97849	1.3
154.06252	100.0
155.06723	1.9
159.11723	2.9
159.24664	0.8
163.03909	12.3
163.07547	40.9
163.56804	0.9
165.05655	1.3
165.06953	5.0
167.07040	5.1
167.08589	2.5
171.98981	3.2
177.05479	11.2
177.09111	3.4
177.12738	2.8
177.16400	7.8
180.07835	1.6
180.09351	2.3
195.00644	0.8
195.02884	5.5
195.06453	2.6
195.08308	6.3
195.10165	14.3
195.11722	5.0
195.13646	5.4
195.15588	2.1
195.17456	3.3
196.16988	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	195.1015
Annotation	gamma-Methoxyisoeugenol
Peak:m/z	Relative Intensity
53.03941	0.8
53.37225	0.3
55.01862	1.3
55.05503	1.6
56.55691	0.3
56.96558	0.8
57.03433	0.6
57.07060	0.7
62.20737	0.3
65.03934	4.4
66.04322	0.3
67.05499	1.8
69.03426	1.0
69.07065	2.3
71.04975	0.5
71.59882	0.5
79.05489	6.4
81.03407	0.6
81.07055	3.6
83.04967	0.8
83.08604	0.8
85.02876	0.4
85.06554	0.4
89.06032	1.1
91.05470	4.4
93.03403	5.8
93.07043	3.4
95.04956	2.3
95.08591	3.4
97.06538	0.6
97.10143	0.4
103.05463	23.3
105.07024	8.2
107.04951	27.5
107.08583	3.6
109.02868	1.2
109.06494	0.6
109.10143	1.1
111.04439	5.8
111.08057	0.8
115.05450	2.9
117.03330	0.3
117.07001	1.4
119.04931	0.3
119.08611	0.6
120.05751	2.2
121.02895	0.6
121.06498	2.0
121.10139	3.5
123.08062	0.4
123.11663	0.5
124.05222	2.4
125.05970	1.3
125.09622	0.5
130.96289	0.5
131.04898	3.4
131.08524	0.6
133.02769	0.4
133.06483	1.2
133.08597	0.5
133.10039	0.4
135.04416	0.9
135.08054	17.8
135.11661	2.9
137.09636	0.6
137.13266	0.9
139.03894	26.1
139.07500	0.5
145.02847	1.1
145.06516	0.7
145.07616	0.9
148.05185	0.8
148.97343	1.2
149.05936	0.7
149.09621	1.0
149.13242	1.3
149.97115	0.4
150.06662	0.4
152.05997	0.4
153.05504	0.4
153.09076	0.6
153.97894	0.4
154.06239	100.0
155.06511	1.6
159.11731	0.6
163.03926	3.2
163.07532	36.4
164.07973	0.5
165.07011	0.9
167.07040	3.4
167.08493	0.8
171.98970	0.5
172.98848	0.5
177.05449	2.2
177.09091	0.8
177.12758	1.3
177.16371	2.2
180.07814	0.9
180.09317	0.7
184.98869	0.3
190.18291	0.3
195.02879	0.8
195.06505	1.3
195.08417	1.2
195.10172	10.5
195.11740	1.3
195.13867	1.4
195.15701	0.4
195.17432	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	194.9458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05017	12.4
56.96561	60.3
57.03424	27.2
60.04502	23.2
61.02911	14.0
69.03439	16.0
69.07047	16.4
69.56616	97.2
70.06589	17.1
72.08108	13.4
72.94328	12.7
73.02908	50.5
77.00780	12.2
81.04568	11.2
84.08153	59.1
85.02901	34.9
86.09693	22.9
94.93008	100.0
97.02888	40.7
98.97562	27.3
102.96938	11.6
106.74004	11.2
116.98621	21.8
119.01876	27.2
129.10214	14.0
130.08644	22.8
131.00165	11.7
131.01843	20.4
134.99675	21.6
146.04118	10.7
147.05011	11.1
149.01198	16.8
161.02950	19.0
173.02846	19.4
184.04877	42.1
185.02988	28.6
194.94560	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
55.01869	3.8
55.05523	9.3
56.96560	3.2
57.03430	3.2
57.07071	3.3
60.71722	1.6
65.03945	5.2
67.05233	1.3
67.05511	16.5
68.96350	2.5
68.99792	16.0
69.03432	4.1
69.07071	13.1
69.34366	15.0
70.94233	2.1
71.04978	6.2
79.05499	19.2
81.03418	3.7
81.07063	32.4
83.04984	5.8
83.08617	5.3
84.08158	2.4
85.06537	4.6
85.10181	4.1
89.03941	2.7
89.06020	10.7
91.05489	14.8
93.03409	4.7
93.07059	25.9
95.04979	9.1
95.08616	18.3
96.83289	1.7
97.06528	6.7
97.10173	2.7
98.21524	3.0
99.04480	1.7
103.05464	24.6
105.07038	14.5
107.04961	38.8
107.08605	23.3
109.02891	2.5
109.06499	5.3
109.10146	7.3
110.07144	2.0
111.04427	7.2
111.08099	4.2
113.09687	1.6
115.05431	3.8
117.03358	5.2
117.07020	4.3
119.08583	3.3
119.35429	1.5
120.05743	2.7
121.06503	6.7
121.10142	17.5
123.08026	1.9
123.11741	2.2
124.05212	2.5
125.05970	2.5
125.09631	10.9
127.03915	1.9
130.96304	2.0
131.04921	5.5
131.08578	4.3
133.02812	1.9
133.08588	2.3
133.10139	4.8
135.04419	7.0
135.08049	25.2
135.11705	20.3
136.05045	1.9
137.05988	3.1
137.09625	3.6
137.13263	2.9
138.06625	3.7
139.03905	23.2
139.59764	1.5
145.02902	8.4
148.97397	7.4
149.01230	2.0
149.05992	7.7
149.09639	8.5
149.13297	9.5
149.97154	2.4
151.11223	2.4
153.09103	29.5
153.97874	3.2
154.06258	100.0
159.11732	7.7
163.03925	23.5
163.06267	3.0
163.07556	36.0
165.07002	3.8
167.07024	6.0
167.08440	3.6
167.10834	2.1
171.98926	5.2
177.05490	15.6
177.09093	7.6
177.12810	9.1
177.16422	12.0
180.09349	4.3
194.91795	1.5
195.02898	11.3
195.06790	9.9
195.08408	7.4
195.10179	17.4
195.11745	8.9
195.13658	9.9
195.15709	3.5
195.17358	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	193.1589
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
55.05514	14.4
56.96559	1.8
57.03437	1.8
57.07066	4.2
65.03933	1.3
67.05509	15.1
69.03432	2.1
69.07069	42.0
69.90194	3.4
69.90608	4.2
71.04994	10.6
73.44270	1.2
76.58356	1.3
79.05488	10.1
81.03413	4.4
81.07063	27.1
83.04969	2.3
83.08627	16.7
85.06544	5.7
91.05489	10.7
93.07043	30.1
95.04973	12.8
95.08610	42.9
97.06535	14.0
97.10168	2.2
99.08094	4.6
105.07037	28.8
105.83887	1.4
107.07866	2.6
107.08595	48.9
109.06528	25.2
109.10154	34.7
111.08092	4.9
111.11732	9.9
115.05443	2.5
115.70688	1.3
117.07059	2.3
119.08574	40.2
121.10146	22.0
121.11003	1.6
123.08057	17.6
123.11728	11.8
125.09582	2.2
131.08551	2.1
133.02814	2.0
133.06523	9.1
133.10133	100.0
134.10497	1.9
135.11699	71.9
137.06003	1.9
137.09628	14.2
147.08121	2.1
147.11685	10.3
149.13255	5.6
151.11160	3.4
151.14867	4.0
161.05943	10.7
165.12703	2.7
175.14827	69.8
187.78336	1.4
193.04996	7.5
193.08627	11.7
193.10251	1.9
193.12305	4.8
193.15898	55.8
196.15613	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03934	6.7
55.01858	5.9
55.05502	16.9
56.96552	5.2
57.03425	7.0
57.07078	3.7
59.04979	2.5
65.03928	3.0
67.05503	37.3
69.03420	12.0
69.07066	16.1
69.51622	4.0
69.52038	10.5
71.04993	11.7
71.11179	1.5
75.83247	1.5
79.05491	30.2
81.03418	100.0
81.07054	37.8
83.04981	13.7
83.08622	17.7
85.02917	2.1
85.06548	4.7
87.04429	1.7
91.05476	42.9
93.07046	36.0
95.04966	56.7
95.08041	3.0
95.08607	33.1
95.76056	1.7
97.02898	2.1
97.06526	5.5
97.10152	2.8
99.08091	4.9
103.05490	9.0
105.07028	92.6
107.04958	12.5
107.08592	40.6
108.04441	1.9
109.06518	17.2
109.10151	28.1
111.04429	5.5
111.08071	5.9
115.05452	10.9
117.07005	4.4
118.04144	4.8
119.04987	1.9
119.08582	58.1
121.06523	4.3
121.10147	13.4
123.08054	10.2
123.11717	11.6
128.98579	2.0
129.05478	3.1
129.07014	9.8
130.06540	1.5
131.04912	2.3
131.08537	11.1
133.02844	13.9
133.06493	49.4
133.10127	92.9
134.06912	2.2
134.10469	2.2
135.08061	4.9
135.10683	3.7
135.11691	62.0
137.05974	12.1
137.09602	13.7
142.07779	2.7
143.04958	2.2
143.06053	2.2
145.10127	4.1
146.97462	2.1
146.99614	5.2
147.04420	3.3
147.08058	9.0
147.10658	2.7
147.11696	29.5
149.02315	2.4
149.05962	2.5
149.09613	6.9
149.13268	6.3
151.07487	4.7
151.11147	3.5
151.14664	2.2
157.10165	8.3
161.05983	52.9
162.06360	1.8
165.05472	3.5
165.12721	6.0
166.08678	2.6
175.03908	3.8
175.07582	3.9
175.11255	13.3
175.14832	55.1
178.02618	12.9
178.06183	2.0
193.04958	71.9
193.08621	34.7
193.10378	4.1
193.12234	35.9
193.15898	41.7
194.05263	2.7
194.07999	3.7
194.11690	2.1
194.15414	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	193.1589
Annotation	beta-Ionone
Peak:m/z	Relative Intensity
50.05758	1.8
53.03932	3.0
55.05515	13.8
56.96539	2.7
57.07064	4.1
63.78562	1.8
67.05511	12.7
69.03405	3.5
69.06719	2.8
69.07070	41.7
70.09786	9.8
71.04983	8.2
73.83737	2.0
79.05505	12.5
81.03400	7.4
81.07054	26.3
83.04973	5.4
83.08617	19.3
85.06536	3.0
89.74739	2.2
91.05484	15.6
93.07049	32.2
95.04961	12.5
95.08610	50.4
97.06534	13.2
98.20815	2.2
98.97600	2.6
99.08064	3.4
100.77688	2.1
103.05465	4.0
104.91570	2.1
105.06382	3.1
105.07034	43.5
106.07322	2.5
107.05000	2.0
107.08599	39.0
108.30244	2.1
109.06512	28.8
109.09383	2.0
109.10151	38.1
111.04458	1.8
111.08060	6.0
111.11697	7.0
115.05441	3.3
119.04932	2.2
119.08578	43.0
121.10151	14.3
122.27256	2.0
123.08064	18.7
123.11694	12.3
131.08586	4.4
133.02852	5.1
133.06482	21.2
133.10129	100.0
135.08182	2.1
135.10687	4.2
135.11694	66.7
137.05945	5.1
137.09612	15.0
145.10060	2.0
146.99611	1.9
147.08052	2.8
147.11684	11.9
149.02310	2.9
149.13237	8.6
151.07616	2.6
151.11186	3.3
151.14806	3.6
161.06004	23.0
165.05473	4.2
165.12732	4.1
175.11191	4.3
175.14828	63.2
178.02586	6.5
193.04980	26.5
193.08621	20.7
193.12221	8.5
193.15880	61.1
194.15408	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.45544	1.5
51.54224	1.7
52.03138	1.5
52.94008	1.6
53.03938	5.5
55.01857	5.4
55.05512	21.0
55.90681	1.7
56.96547	2.4
57.03412	5.2
57.07066	3.5
61.22440	1.5
65.03919	3.0
67.05502	38.8
68.87076	1.9
69.03427	8.6
69.07058	12.7
69.54906	14.2
71.05001	8.7
79.05493	27.1
81.03416	100.0
81.06582	2.2
81.07051	36.8
83.04968	11.3
83.08618	18.0
85.06519	5.6
86.13513	2.0
91.05479	29.6
93.07040	37.7
95.04967	47.3
95.08604	36.8
97.02934	2.4
97.06502	4.9
97.10159	3.6
99.08070	4.0
103.05436	4.0
105.07027	59.6
107.04953	9.9
107.08584	33.7
109.06518	21.1
109.10152	29.3
111.04412	4.8
111.08052	7.6
115.05425	5.8
117.06985	3.3
118.04137	3.2
119.04918	2.0
119.08572	53.4
119.16542	1.6
121.06510	3.0
121.10152	18.1
123.08061	18.0
123.11690	12.5
125.09610	2.1
129.06985	9.5
131.08574	7.4
133.02870	9.6
133.06482	30.8
133.10127	41.9
135.08061	3.6
135.11687	28.7
137.05954	5.2
137.09621	16.6
137.13242	1.9
142.07741	2.9
145.10150	3.0
147.08017	3.7
147.10847	1.7
147.11693	19.2
149.09598	6.8
149.13252	15.2
151.07512	3.2
151.11189	7.3
151.14781	3.1
157.10094	9.2
161.05986	26.0
164.76062	1.7
165.12714	4.9
175.07492	3.1
175.11243	8.5
175.14819	44.7
178.02611	7.5
193.04971	32.5
193.08652	9.2
193.10629	2.7
193.12253	22.4
193.13980	3.5
193.15865	62.8
194.04486	4.2
194.08110	2.3
194.15433	2.4
194.19067	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.4
53.26250	1.5
55.01849	1.5
55.05512	18.9
57.03425	4.0
57.07074	6.7
59.04985	2.6
65.03925	1.5
67.05502	26.9
69.03426	12.7
69.07068	20.4
71.05000	12.6
71.08601	3.4
71.59253	3.1
79.05489	12.4
81.03417	11.3
81.07059	32.9
83.04974	8.1
83.08627	11.8
85.06536	10.2
91.05479	19.3
93.06474	2.3
93.07045	35.3
95.04951	10.5
95.08607	74.6
97.06517	1.9
97.10152	3.2
99.08101	2.6
103.05420	2.8
105.07024	35.7
107.04913	1.3
107.07865	2.4
107.08592	47.0
109.06509	25.5
109.10158	78.2
111.08077	3.7
112.73689	1.2
115.05428	2.1
117.07003	2.3
119.08583	78.2
121.06511	1.6
121.10140	86.0
122.10471	1.7
123.04341	1.6
123.08064	28.3
123.11713	24.4
129.06978	2.0
131.08563	5.6
133.02855	2.8
133.06494	6.1
133.07492	2.3
133.10130	71.0
134.07144	1.7
135.11691	56.8
136.12079	1.8
137.05992	2.3
137.08647	2.5
137.09615	28.6
137.13229	7.4
138.10352	3.6
139.11162	3.1
145.10091	3.8
147.11707	19.7
149.09596	3.3
149.13266	28.0
151.10071	1.4
151.11147	7.9
151.14806	9.9
151.17021	1.4
159.11729	1.7
160.12479	2.4
161.05920	7.9
165.12733	2.1
165.16393	17.0
175.07744	1.3
175.11191	4.2
175.14825	96.4
176.15108	1.9
178.02562	1.8
193.04955	14.7
193.08607	4.2
193.12257	7.5
193.15880	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	193.1588
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
53.03932	2.8
55.01874	1.5
55.05514	9.6
57.03431	3.5
57.07075	3.6
59.05011	1.4
60.60711	1.2
61.94817	1.2
64.58501	1.5
67.05503	13.0
69.03429	3.6
69.07062	9.6
71.04996	9.0
79.05495	9.6
81.03412	13.5
81.07063	17.3
83.04980	5.4
83.08618	4.6
85.06537	3.6
91.05492	13.7
93.07043	28.1
95.04982	11.0
95.08617	27.5
97.06541	2.0
97.10165	2.2
99.08090	2.6
103.05442	2.2
105.07033	28.3
106.07357	3.2
107.04966	2.5
107.08597	53.5
108.08949	1.6
109.06528	13.2
109.10156	31.1
110.06875	2.4
110.76981	1.3
111.08092	3.2
117.07056	1.6
119.08582	42.5
120.08932	1.3
121.06527	1.3
121.10138	24.2
123.08088	10.4
123.11705	7.8
129.07013	2.0
131.08566	4.3
133.02859	4.1
133.06500	9.4
133.09248	2.3
133.10132	35.1
134.10471	3.1
135.10834	4.2
135.11696	100.0
136.12036	2.1
137.05965	2.0
137.09604	11.4
137.13289	2.5
138.10402	2.9
145.10129	2.3
147.11710	12.7
148.12042	2.2
149.09612	2.0
149.12463	2.1
149.13354	10.0
151.11180	4.7
151.14839	8.2
157.10083	1.6
161.06000	6.2
165.12810	2.3
165.16371	2.4
171.13458	1.4
173.13278	1.5
175.04005	1.3
175.11209	5.4
175.14880	46.9
178.02660	2.6
193.04964	25.4
193.08603	5.9
193.12323	9.3
193.15965	40.4
194.08199	1.4
194.15588	1.4
202.29280	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	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
55.05507	11.9
57.07067	3.6
59.05008	2.7
67.05502	11.9
68.30988	1.8
69.07063	34.3
71.05011	14.3
71.31125	4.0
79.05473	7.0
81.03406	1.9
81.07059	17.3
83.04971	3.5
83.08617	4.0
85.06538	10.9
91.05499	8.6
91.05952	1.7
93.07027	28.1
93.26994	1.7
95.04961	36.9
95.08604	21.9
97.06503	2.5
97.10165	10.7
99.08081	5.9
105.07028	15.5
107.08585	31.8
109.06516	100.0
109.10173	18.2
111.04436	2.9
111.08041	4.9
111.11688	5.3
119.08576	31.4
120.71076	1.8
121.10146	11.5
123.08048	8.3
123.11705	23.2
128.64687	1.7
133.02840	5.1
133.06474	8.0
133.10124	27.6
135.11703	37.7
137.09613	17.9
147.11676	6.0
149.02274	3.2
149.13266	11.2
151.11153	5.4
161.05983	6.6
172.09988	1.9
175.03828	2.1
175.14835	45.2
178.02669	2.7
193.04964	25.0
193.08606	3.0
193.10443	3.4
193.12230	6.1
193.15865	86.6
194.15439	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	193.1587
Annotation	(-)-gamma-ionone
Peak:m/z	Relative Intensity
50.23773	0.9
53.03941	2.3
55.01871	3.6
55.05503	10.1
57.03430	3.0
57.07071	5.1
59.04965	1.8
65.03928	2.1
67.05167	1.9
67.05499	23.3
69.03426	3.6
69.07064	12.1
69.92741	2.2
69.93159	4.3
71.04990	2.8
72.08541	0.9
79.05492	13.6
81.03417	59.2
81.07050	18.3
83.04961	5.9
83.08629	8.8
85.02895	1.4
85.06525	2.0
87.04451	1.1
91.05473	19.5
93.07039	14.7
95.04971	23.5
95.08601	28.8
97.02860	1.4
97.06554	1.9
98.21469	1.6
99.04454	1.4
99.08096	1.5
103.05456	2.6
105.07032	37.8
107.04953	5.3
107.08595	13.9
109.06534	6.3
109.10152	27.6
111.04478	2.2
111.08087	3.4
115.05453	2.0
117.07030	2.4
118.04170	1.7
119.04984	1.1
119.08576	61.0
120.08938	1.0
121.06506	2.0
121.10143	9.0
121.70065	1.1
123.08065	5.5
123.11726	3.3
129.05501	1.4
129.06993	5.6
131.08549	5.4
133.02823	5.8
133.06482	14.4
133.10123	71.7
134.10883	1.0
135.08049	1.5
135.11688	20.7
137.05998	2.4
137.09616	11.1
139.03925	1.2
142.07724	1.0
145.10114	3.1
147.08089	2.6
147.11688	22.5
149.02351	2.4
149.09613	2.8
149.13252	6.3
151.11163	2.4
151.14777	4.7
157.10143	3.7
159.11681	1.3
160.12511	2.4
161.05981	13.2
164.06259	1.0
165.05470	1.7
173.13193	1.0
175.03922	1.1
175.07634	1.2
175.11330	7.1
175.14818	100.0
176.15154	1.6
178.02571	4.0
193.04959	20.9
193.08621	6.7
193.12244	15.6
193.15877	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	193.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23773	0.9
53.03941	2.3
55.01871	3.6
55.05503	10.1
57.03430	3.0
57.07071	5.1
59.04965	1.8
65.03928	2.1
67.05167	1.9
67.05499	23.3
69.03426	3.6
69.07064	12.1
69.92741	2.2
69.93159	4.3
71.04990	2.8
72.08541	0.9
79.05492	13.6
81.03417	59.2
81.07050	18.3
83.04961	5.9
83.08629	8.8
85.02895	1.4
85.06525	2.0
87.04451	1.1
91.05473	19.5
93.07039	14.7
95.04971	23.5
95.08601	28.8
97.02860	1.4
97.06554	1.9
98.21469	1.6
99.04454	1.4
99.08096	1.5
103.05456	2.6
105.07032	37.8
107.04953	5.3
107.08595	13.9
109.06534	6.3
109.10152	27.6
111.04478	2.2
111.08087	3.4
115.05453	2.0
117.07030	2.4
118.04170	1.7
119.04984	1.1
119.08576	61.0
120.08938	1.0
121.06506	2.0
121.10143	9.0
121.70065	1.1
123.08065	5.5
123.11726	3.3
129.05501	1.4
129.06993	5.6
131.08549	5.4
133.02823	5.8
133.06482	14.4
133.10123	71.7
134.10883	1.0
135.08049	1.5
135.11688	20.7
137.05998	2.4
137.09616	11.1
139.03925	1.2
142.07724	1.0
145.10114	3.1
147.08089	2.6
147.11688	22.5
149.02351	2.4
149.09613	2.8
149.13252	6.3
151.11163	2.4
151.14777	4.7
157.10143	3.7
159.11681	1.3
160.12511	2.4
161.05981	13.2
164.06259	1.0
165.05470	1.7
173.13193	1.0
175.03922	1.1
175.07634	1.2
175.11330	7.1
175.14818	100.0
176.15154	1.6
178.02571	4.0
193.04959	20.9
193.08621	6.7
193.12244	15.6
193.15877	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	193.1588
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
52.78701	1.5
53.03937	6.3
53.04164	1.5
55.01856	6.4
55.05510	18.6
56.96551	5.5
57.03423	5.5
57.07067	4.7
59.04987	3.1
65.03954	3.9
66.15575	1.5
67.05505	40.6
69.03423	12.8
69.07066	11.9
70.06590	2.1
70.17800	7.2
71.04990	7.7
73.02902	1.9
78.40450	1.5
79.05494	34.3
81.03417	95.6
81.07059	42.5
82.03698	1.8
83.04984	11.0
83.06145	2.0
83.08619	14.3
85.02887	1.8
85.06525	5.8
87.04411	2.4
88.22708	1.6
91.05479	34.4
93.07044	34.9
95.04971	51.8
95.08604	37.0
95.98626	1.5
97.02884	3.6
97.06530	6.2
97.10162	2.8
99.08073	2.0
103.05476	11.7
105.04511	1.5
105.07030	100.0
106.07339	3.3
107.04949	8.8
107.08592	34.8
109.06516	21.9
109.10154	31.1
111.04447	6.3
111.08067	8.9
115.05462	13.6
117.07019	5.8
118.04131	6.7
119.04929	4.2
119.08582	56.2
121.06493	5.3
121.10147	22.1
123.04408	1.6
123.08088	12.9
123.08900	2.0
123.11725	13.1
125.09630	2.2
128.06163	1.5
129.05504	2.3
129.07018	10.1
131.08568	9.4
133.02861	12.4
133.06497	66.3
133.10129	45.9
133.10982	1.1
134.06998	2.2
135.08035	4.9
135.11694	32.8
137.05992	7.4
137.09608	16.5
142.07782	4.3
143.06049	4.8
145.10123	1.9
146.99670	3.3
147.04407	3.4
147.08060	9.8
147.11690	24.7
148.07579	1.7
148.79730	1.5
149.05978	2.0
149.09616	5.8
149.13268	15.9
150.10358	1.7
151.07559	3.7
151.11172	8.0
151.14859	4.2
152.07152	2.4
157.10114	9.6
161.05986	74.2
162.06371	2.0
165.05525	2.3
165.09108	2.6
165.12756	2.9
165.16475	2.6
165.62627	1.7
166.04846	1.6
175.03897	2.6
175.07533	4.3
175.11206	13.1
175.14836	43.0
178.02625	8.8
193.04970	59.3
193.08594	27.2
193.12247	30.2
193.14197	3.3
193.15892	47.3
193.17645	2.7
194.04510	4.7
194.08131	3.8
194.15479	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	193.1588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.7
55.05508	17.2
57.03416	4.1
57.07078	8.2
59.04995	3.0
65.03915	1.3
67.05506	22.0
69.03437	6.7
69.07070	21.6
69.93607	5.9
70.23940	1.1
71.05000	12.8
71.08649	2.3
79.05496	11.6
81.03419	10.0
81.07058	29.9
83.04985	8.2
83.08617	13.1
85.06552	10.1
91.05479	14.0
93.07041	27.2
95.04974	14.3
95.08609	66.6
97.06512	3.5
97.10162	3.2
98.97581	2.3
99.08088	1.5
103.05451	1.6
105.07036	33.2
107.04967	2.0
107.07866	2.3
107.08601	46.8
109.06519	29.8
109.10154	71.3
111.08079	5.9
111.10883	1.2
115.05455	2.8
117.07016	2.1
118.07774	1.4
119.08582	72.5
120.08986	1.7
121.10146	79.1
123.08069	31.0
123.11702	25.6
125.09618	2.9
129.07007	1.6
131.08557	4.6
133.02831	2.7
133.06503	9.0
133.10135	76.5
134.10382	1.2
135.08066	1.4
135.11690	55.2
137.09621	33.9
137.13251	9.3
138.10374	1.9
139.11186	2.5
145.10167	2.5
147.04401	1.5
147.11685	16.0
149.09615	2.3
149.12172	2.3
149.13263	26.9
151.11203	7.9
151.14828	8.9
160.12506	1.4
161.05975	9.8
163.14775	1.3
165.16396	10.9
175.07568	2.0
175.11220	3.1
175.14825	100.0
176.15164	3.2
193.04976	10.8
193.08643	4.4
193.12283	7.3
193.15889	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03939	4.9
55.01877	3.6
55.05507	9.6
56.96563	1.0
57.03439	3.6
57.07065	1.4
60.35520	0.6
60.82526	0.7
65.03936	2.0
67.05505	25.1
69.03422	5.2
69.07071	5.0
71.00989	1.6
71.01354	1.6
71.05003	3.4
77.03936	1.0
79.05489	19.9
81.03416	100.0
81.06580	1.3
81.07056	21.1
83.04982	6.6
83.08617	12.4
85.06538	1.4
91.05477	25.4
93.07037	16.0
95.04964	42.1
95.08601	8.6
97.02890	1.5
97.06541	3.3
97.10178	1.2
99.08097	1.6
103.05489	1.6
105.07032	24.9
107.04952	8.6
107.05527	0.9
107.08588	10.1
109.06509	5.1
109.10146	5.6
111.04458	2.2
111.08066	4.0
115.05461	2.5
116.06240	0.8
117.07008	2.3
119.04952	1.3
119.08578	17.1
121.06540	1.9
121.10138	6.5
123.08063	2.9
123.11682	1.7
129.06998	9.2
131.08568	8.1
133.02861	2.5
133.06500	8.8
133.10127	28.2
135.08110	1.0
135.11671	11.4
137.05992	1.4
137.09628	3.5
142.07736	3.6
145.10104	1.0
147.08055	4.4
147.11668	10.3
147.12617	0.9
149.09602	4.5
149.13252	2.2
151.07535	1.2
151.11249	1.0
157.10133	8.2
161.05988	6.8
165.12743	2.5
175.07449	0.8
175.11186	8.4
175.14827	13.3
178.02628	2.2
193.04968	11.5
193.08589	3.7
193.10344	1.4
193.12233	17.6
193.15881	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	193.1224
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
50.69147	2.9
53.03935	9.4
55.01863	8.7
55.05515	16.5
56.96571	25.0
57.03444	31.9
57.07072	5.4
57.92147	3.1
59.04998	3.0
60.91072	2.7
63.29241	3.0
65.03934	4.7
67.05502	34.3
69.03411	10.5
69.07046	10.4
69.40135	27.0
71.04989	7.5
79.05495	37.8
81.03420	71.6
81.07060	31.7
83.04968	7.2
83.08601	12.0
85.06551	3.8
87.04420	3.1
91.05489	61.6
93.07043	67.4
95.04974	55.9
95.08626	19.3
97.06522	5.4
97.10188	3.8
97.99191	5.6
100.54572	3.1
103.05446	7.2
105.07032	78.6
107.04951	10.8
107.08586	21.4
109.06531	16.5
109.10149	16.4
111.04433	7.7
111.08058	6.7
115.05444	9.0
116.00215	6.0
117.06992	4.6
118.04228	4.1
119.04918	8.1
119.07795	4.6
119.08591	65.7
120.05267	10.3
121.06509	24.7
121.10139	10.1
122.03623	3.0
123.04451	2.9
123.08093	13.6
123.11691	4.7
128.98572	5.1
129.05492	4.0
129.06990	10.3
131.08566	11.8
133.02855	25.7
133.06493	37.8
133.10130	56.2
135.08142	7.7
135.11673	15.9
135.91312	3.0
137.05972	12.9
137.09615	16.8
140.95135	2.8
142.07729	3.9
146.07251	5.9
146.97417	3.0
146.99615	9.8
147.04321	4.5
147.08063	21.4
147.11687	27.7
149.02344	4.9
149.06001	4.5
149.09532	6.0
149.13339	5.1
150.03171	3.3
151.07532	7.7
157.10136	15.4
161.05992	36.9
163.11180	9.1
164.11568	8.6
165.05482	7.7
165.12825	4.7
169.99046	4.7
175.07599	3.8
175.11198	37.4
175.14841	23.1
178.02629	19.3
178.08165	3.1
190.78226	4.0
193.04970	100.0
193.08633	27.3
193.10434	8.7
193.12273	46.1
193.14128	14.0
193.15895	19.3
193.17592	5.3
194.08086	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
53.03937	9.0
55.01865	7.0
55.05509	13.1
56.96558	9.6
57.03436	100.0
57.07071	4.1
65.03939	2.9
67.05507	32.7
69.03418	6.1
69.07051	6.2
70.73295	4.1
71.04975	5.1
75.04451	3.8
79.05494	25.7
81.03418	54.9
81.07059	21.4
83.04980	4.8
83.08623	7.3
85.06542	6.9
90.37130	2.1
91.05479	68.6
92.19132	2.0
93.07040	76.2
93.07629	3.7
95.04962	40.8
95.08605	11.4
97.06501	5.2
103.05465	4.8
104.06249	2.4
105.07029	62.9
107.04942	9.0
107.08619	11.7
109.06506	11.0
109.10155	12.9
111.04469	3.3
111.08055	3.1
115.05449	4.9
116.00196	3.0
117.07017	11.7
119.08578	92.6
121.06504	63.7
121.10123	6.4
123.08074	2.3
123.11681	2.6
129.05453	2.1
129.06981	10.4
130.00996	3.2
131.04991	2.5
131.08565	9.5
133.02840	11.1
133.06493	21.8
133.10129	50.1
135.08032	7.0
135.11696	5.2
137.06009	6.7
137.09612	28.6
141.51758	2.5
142.07742	8.0
145.06461	4.3
145.10193	3.6
146.07265	10.8
147.04340	2.1
147.08044	39.4
147.11679	42.4
149.09622	3.9
151.07582	3.0
151.53285	2.1
157.10136	13.6
159.01682	1.9
160.08844	7.1
161.05957	13.8
163.11145	4.2
164.11523	4.4
175.11179	62.4
175.14853	8.9
178.02635	6.5
193.04956	43.1
193.08588	7.0
193.10442	4.9
193.12242	34.9
193.15907	8.3
194.08167	2.6
194.15643	2.2
203.92471	1.9
208.28546	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	193.1224
Annotation	Ibufenac
Peak:m/z	Relative Intensity
51.02377	1.3
53.03952	5.1
55.01868	3.7
55.05514	11.1
56.96553	2.6
57.03432	2.3
57.07078	0.9
59.05018	1.5
65.03928	3.3
67.05502	41.5
69.03416	2.2
69.07067	11.4
70.41985	3.7
71.04991	10.1
73.06539	1.5
77.03902	1.2
79.05490	70.2
81.03416	22.9
81.06580	1.5
81.07054	31.3
83.04975	13.1
83.08620	6.4
85.06525	3.5
87.04459	1.0
91.05477	93.0
93.03428	1.1
93.07039	100.0
95.04967	34.7
95.08600	10.4
97.02892	0.9
97.06517	3.9
99.04447	1.1
99.08066	1.1
103.05434	2.8
104.75101	0.7
105.04495	3.3
105.07026	54.4
106.56351	0.7
107.04950	9.3
107.08600	10.2
109.06521	8.2
109.10143	2.9
111.04409	1.4
111.08072	2.2
113.05993	2.2
115.05481	4.0
116.06173	0.9
117.06983	2.2
118.04173	1.7
119.08576	24.0
121.06484	2.1
121.10133	3.3
123.08097	2.0
123.11686	1.6
127.07532	3.1
128.06247	1.7
129.07005	16.8
131.08562	24.6
133.02853	4.8
133.06487	16.1
133.10123	91.2
134.10484	0.9
135.11670	8.9
137.05959	1.9
137.09581	1.7
141.06900	0.8
142.07741	5.1
145.10088	2.0
147.08060	7.5
147.11685	22.5
149.02328	0.9
149.05991	1.4
149.09596	1.6
150.03137	1.1
151.11140	1.2
153.19180	0.7
157.10126	32.2
161.05968	14.9
163.11214	1.8
165.05441	1.0
165.09149	1.0
165.12747	2.2
169.99077	0.9
175.11186	29.4
175.14777	5.0
176.03406	0.9
178.02638	4.8
178.07893	1.4
186.58824	0.8
190.59320	0.8
193.04962	21.1
193.06567	1.1
193.08606	9.9
193.10428	2.4
193.12228	47.4
193.15857	3.4
194.15331	0.8
197.37709	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01870	5.5
55.05508	9.2
56.05036	53.1
56.96565	93.4
57.03444	9.7
57.07066	2.9
58.06600	7.3
58.96174	1.2
59.05003	13.3
59.06123	1.6
60.04528	18.5
60.95847	4.6
61.01128	1.9
61.02926	8.7
62.06081	2.1
67.05511	6.7
68.05030	6.5
69.03429	9.0
69.07060	4.9
70.06594	33.9
70.55779	3.0
70.98116	1.7
71.01348	1.7
71.05006	5.8
71.07390	1.7
71.95266	2.3
72.04519	25.5
72.04922	1.4
72.08154	4.6
73.02926	11.0
74.06068	5.2
74.97606	4.0
78.12559	1.0
79.05508	5.7
80.05031	2.5
81.01003	1.2
81.03412	4.6
81.07037	5.7
82.06573	4.1
83.00786	1.8
83.04980	4.2
83.06107	2.4
83.97632	2.8
84.04504	4.6
84.08141	26.7
84.96027	2.2
85.02911	14.8
85.05271	1.9
85.06525	2.1
86.06078	6.2
86.09705	3.7
86.28143	1.3
87.04469	2.4
87.05590	1.1
88.02242	1.6
88.03998	1.7
88.07629	24.2
88.73569	1.2
88.99161	2.3
89.00730	1.8
90.94786	1.3
91.02339	2.6
91.05486	5.3
92.98640	1.1
93.07072	2.5
94.06551	2.4
94.21695	1.1
95.04979	5.9
95.06088	2.9
95.08649	1.2
96.08124	5.8
97.02892	15.0
97.07619	1.3
97.99172	1.8
98.01288	1.7
98.03576	1.9
98.06052	2.6
98.09695	45.1
98.97581	17.1
99.04466	4.6
100.02512	1.3
100.07606	11.0
102.04853	2.0
102.05543	41.2
102.09182	100.0
102.20404	1.3
103.05489	2.1
104.07105	1.6
105.02103	1.3
105.07045	3.2
107.00201	1.4
107.01790	1.6
107.04979	2.2
109.00480	2.8
109.02888	3.2
110.06071	1.9
110.07146	3.2
110.09669	1.4
110.97569	4.2
111.04473	3.1
112.07603	13.0
113.01788	1.4
113.08362	2.2
113.98642	11.3
114.09170	21.9
115.01523	1.4
115.04003	1.5
115.09959	6.6
116.00272	1.4
116.07076	9.5
116.10732	16.3
116.98630	18.2
117.01977	1.6
117.98962	1.7
118.01029	3.0
118.04196	2.0
118.51406	3.3
118.98144	1.1
119.00237	1.5
119.01920	5.2
119.03536	1.6
119.04913	1.5
120.02041	3.5
120.05544	1.4
120.08101	1.4
120.97997	1.8
121.01543	2.2
121.05118	4.2
121.06499	1.5
123.04409	9.3
123.07968	1.2
125.03638	1.4
125.06997	3.8
126.05424	2.4
126.09135	1.3
127.01576	1.4
127.03893	5.7
128.02341	1.5
128.05287	4.7
128.07130	2.0
128.10710	6.8
128.98610	10.8
129.05542	2.2
130.01077	1.8
130.08647	26.9
131.00168	2.3
131.01874	1.8
131.09439	2.2
131.97450	1.7
131.99699	32.5
132.00609	1.1
132.09160	1.1
132.10210	4.4
132.95844	3.4
133.05095	2.0
133.06496	2.5
134.06052	1.4
134.99641	21.3
136.01007	1.3
136.06187	21.1
137.02966	2.1
137.05989	3.0
138.09157	1.9
138.12784	2.5
138.98975	2.5
139.01598	1.9
139.03363	1.4
140.07051	2.2
141.01337	1.3
141.03102	2.2
142.96565	1.3
143.00186	1.5
143.01900	1.3
143.03430	2.9
145.01701	1.5
145.03534	1.6
145.04955	1.9
146.06079	2.3
146.08162	1.5
146.99663	22.6
147.01392	2.2
147.03235	1.6
147.06694	1.5
148.02029	3.5
148.03902	1.8
148.06194	2.9
148.09702	2.7
149.01233	7.8
149.04596	2.1
150.00713	59.1
150.96910	13.3
150.99092	1.7
151.06140	2.9
153.00713	4.8
153.06450	2.2
154.90744	1.4
155.01302	3.5
155.04608	3.1
156.06555	1.6
156.10226	14.4
156.13837	21.7
157.02606	3.5
157.04419	1.9
158.01256	2.2
158.99684	3.8
160.97575	3.4
161.01271	5.9
161.02963	2.0
162.99138	1.7
163.02774	1.9
163.04321	1.7
165.00734	3.5
165.08882	1.7
167.02269	4.1
167.97195	1.4
168.01607	6.7
168.98090	4.6
169.00233	2.1
169.01628	1.8
170.02983	1.5
172.95235	4.2
173.02495	5.4
174.00786	3.3
174.05742	2.6
174.07780	2.7
174.11310	10.4
174.14899	65.7
174.99159	4.9
176.05730	3.1
177.00728	6.2
177.04283	1.5
177.07977	2.1
178.02605	1.7
179.02380	1.4
180.04527	3.4
186.96779	4.3
186.99069	21.9
187.02692	2.0
188.02432	1.4
189.00713	2.3
190.96255	1.4
191.97133	1.9
192.01860	3.9
192.05061	1.5
192.06667	6.2
192.08780	28.7
192.10304	8.2
192.12311	35.5
192.15979	78.9
192.17488	5.3
193.00220	15.4
193.04993	9.1
193.08427	4.2
193.12425	1.4
195.01668	1.5
198.99129	2.4
199.04477	2.4
201.00851	1.6
204.97844	4.7
205.00206	6.8
211.01283	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	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.87580	1.4
55.01875	2.6
55.05498	4.9
55.16984	1.7
56.96540	1.9
57.07071	2.3
59.05300	1.5
61.62787	1.5
62.35118	1.5
63.15485	1.5
64.96267	1.7
66.09102	1.5
67.05227	1.6
67.05503	17.8
69.03414	5.4
69.07075	10.2
69.33904	15.9
70.95670	1.5
71.04993	20.9
79.05491	12.2
81.07059	15.2
83.04988	4.0
83.08585	2.9
85.06543	6.0
87.66839	1.5
91.05481	13.0
93.07048	15.2
95.04964	11.7
95.08603	16.6
97.06506	6.4
103.05419	2.5
105.07042	30.1
107.04964	3.0
107.08598	37.8
109.06515	48.5
109.10159	55.1
117.07022	6.7
118.42120	1.5
119.08569	12.2
121.06465	4.6
121.10144	31.4
123.08062	20.0
129.06998	2.8
131.04846	2.0
131.08574	35.8
133.10126	31.2
134.10435	1.8
135.08052	59.9
135.11661	5.3
143.08525	3.9
143.67531	1.5
144.09375	2.1
144.34737	1.6
145.06511	2.1
145.10126	16.1
147.08034	2.4
147.11699	11.7
149.09639	10.1
149.13235	10.3
158.10893	6.3
163.11143	4.0
163.14850	2.5
173.09637	4.0
173.13255	43.5
179.34972	1.6
191.03314	4.3
191.06949	8.7
191.10637	10.8
191.14305	100.0
191.17943	6.5
192.10216	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.2
55.01863	1.7
55.05511	10.9
56.96538	1.6
57.03416	3.4
57.07082	7.7
59.04990	3.8
64.72073	1.2
67.05511	10.2
67.12901	1.2
69.03431	8.6
69.07066	11.4
69.86867	2.7
69.87273	5.2
71.04980	4.8
79.05482	9.1
81.07058	26.7
83.04987	5.9
83.08622	6.5
85.06548	16.4
89.04423	1.1
91.05476	22.7
93.06474	1.4
93.07048	17.2
95.04984	7.0
95.08046	1.6
95.08605	17.8
97.06545	8.5
97.10153	1.3
98.97575	1.6
99.08098	11.0
99.45663	1.4
103.05447	3.3
105.07030	39.1
106.06535	1.7
107.04941	2.6
107.08597	36.8
109.06530	9.0
109.10150	8.2
111.08068	2.2
113.09631	1.2
115.05383	2.5
116.06226	2.2
116.98600	1.4
117.07014	10.0
118.06503	2.1
118.07737	1.2
119.08579	21.3
120.08089	2.8
121.06478	6.9
121.10140	19.6
123.08062	7.6
123.11648	1.9
129.06992	3.7
130.07770	3.0
131.08565	52.9
132.09026	1.2
133.10130	100.0
134.10416	1.8
135.08064	19.2
135.11670	5.3
137.13242	4.3
143.08554	8.6
144.09348	5.3
145.07587	1.4
145.10132	26.6
147.08052	1.1
147.11673	16.4
148.05151	1.2
149.05925	1.5
149.09596	8.9
149.13252	17.9
155.14276	3.3
158.10916	12.8
161.00917	1.1
161.09608	2.5
163.07570	2.5
163.11189	4.0
163.14807	4.7
171.11642	1.2
173.05885	1.2
173.07234	1.5
173.13263	70.8
174.13519	1.6
176.11951	1.9
177.00653	1.2
188.35312	1.0
191.06943	4.2
191.08408	6.2
191.10724	5.6
191.14308	87.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1431
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
53.03941	2.7
55.01864	2.6
55.05512	9.6
56.96552	4.4
57.03428	2.1
57.07075	4.2
59.04959	1.8
63.49268	1.4
65.03930	1.5
67.05508	15.2
69.03427	11.7
69.07070	11.9
69.70135	10.3
71.05001	12.0
79.05492	22.7
81.03416	4.7
81.07059	19.7
83.04970	5.7
83.08611	5.7
85.06525	5.4
91.05474	25.9
93.07051	27.0
94.47150	1.6
95.01359	1.5
95.04967	10.3
95.08609	20.9
97.06544	10.3
98.21463	3.0
103.05470	7.0
105.07040	46.1
107.04958	11.7
107.08599	46.5
109.06530	23.8
109.10167	27.0
111.08115	3.7
115.05463	4.5
116.06238	1.6
116.33869	1.3
117.06997	12.9
118.04173	2.1
119.05034	1.8
119.08575	23.0
121.06518	8.2
121.09307	2.9
121.10142	33.6
123.08093	23.8
123.11731	8.4
129.06996	2.4
130.07788	4.1
131.04903	5.8
131.08569	47.3
133.06487	2.7
133.10135	97.6
134.10463	2.1
135.08058	42.8
135.11700	14.2
137.09581	1.8
143.08563	7.0
145.06444	2.9
145.10117	27.2
147.08032	3.4
147.11685	28.7
148.05174	2.5
148.08807	1.9
149.01213	2.3
149.09564	13.6
149.13260	15.2
155.08540	2.5
158.10925	9.5
161.09706	2.2
163.07561	7.7
163.11168	9.2
163.14818	6.6
167.02325	2.3
173.06021	1.7
173.09633	8.1
173.11760	3.4
173.13264	59.5
176.04619	1.9
176.12001	2.1
177.07889	2.0
180.07278	1.9
191.03371	9.0
191.07028	36.6
191.08789	3.1
191.10670	21.8
191.14314	100.0
191.17949	6.8
192.06580	1.8
192.10278	2.8
192.13893	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61935	0.7
53.03946	1.2
55.01857	2.8
55.05498	4.6
55.43991	0.7
56.96546	3.0
57.03419	1.0
57.07058	2.1
59.04982	2.0
64.90189	0.7
65.03930	0.9
65.13270	0.8
65.30548	0.7
67.05503	6.1
69.03438	5.7
69.06718	1.1
69.07063	12.1
71.04990	5.4
71.31666	1.5
79.05489	10.2
81.07056	6.9
83.04992	3.9
83.08603	2.7
85.06547	4.2
91.04964	1.4
91.05480	13.4
93.07040	16.1
95.04978	6.6
95.08598	11.7
97.06538	5.3
97.99189	1.0
99.80323	0.7
101.97385	0.7
102.04705	0.8
103.05469	10.4
105.07033	28.9
107.04944	2.5
107.08595	31.1
109.06512	14.4
109.10154	14.1
111.08040	1.5
115.05457	1.6
117.07023	4.8
118.04158	3.0
119.04902	1.1
119.08581	16.3
120.08068	0.9
121.06525	7.4
121.10152	21.1
123.08067	9.1
123.11652	1.0
129.06976	1.4
130.04178	0.8
130.07751	0.9
131.04935	7.5
131.08565	23.9
132.05669	1.0
133.02797	1.9
133.06485	1.6
133.10132	55.0
135.08054	26.3
135.08885	0.4
135.09116	0.9
135.11699	4.7
137.09642	1.6
143.08563	4.6
144.09282	1.8
145.10124	13.7
147.04413	0.9
147.08057	2.9
147.11676	22.9
148.05211	5.4
148.07599	0.8
148.08801	1.4
149.09630	13.7
149.13252	16.7
158.10912	9.6
159.91475	0.8
161.09657	2.0
162.10321	0.7
163.07559	9.1
163.11172	2.4
163.14825	5.5
173.05826	0.8
173.13268	40.3
174.13440	1.0
176.04756	1.5
176.11931	2.2
191.03357	1.2
191.07005	8.9
191.10661	3.2
191.14307	100.0
192.14737	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.20732	0.7
53.03937	1.5
55.01865	3.0
55.05510	4.7
57.03407	1.1
57.07058	2.0
58.94891	1.0
59.04988	1.5
67.05508	5.7
69.03431	7.3
69.07063	7.5
69.30562	1.9
69.30964	7.0
70.02562	0.6
71.04976	3.3
79.05493	6.5
80.03094	0.8
81.07065	9.3
83.04990	6.2
83.08607	2.2
83.77055	0.7
85.06518	2.3
91.04959	1.1
91.05484	10.6
91.49689	0.7
93.07037	14.2
95.04971	3.2
95.08603	11.3
97.06541	4.5
103.05464	4.6
105.07030	18.3
107.04968	4.8
107.08595	27.7
109.06512	6.9
109.10148	5.2
111.08051	1.6
115.05470	1.9
117.07008	3.4
119.04925	1.1
119.08573	10.3
121.06496	14.8
121.10134	22.4
123.08076	7.2
123.11707	2.8
129.07004	1.8
130.07748	1.3
131.04919	3.7
131.08568	24.5
133.10129	51.7
134.10474	1.2
135.07098	1.4
135.08054	16.7
135.11659	3.9
137.09615	2.1
143.08510	4.0
144.09348	1.6
145.10124	13.4
147.04324	1.0
147.08041	1.1
147.11688	12.7
148.05167	2.9
149.09637	8.1
149.13255	8.3
158.10909	6.5
161.09644	2.6
163.07544	3.1
163.11174	2.3
163.14832	5.1
173.06015	1.1
173.09599	1.8
173.13264	31.6
176.04672	1.1
176.11992	2.1
191.03300	1.2
191.07034	6.9
191.10759	5.9
191.14299	100.0
192.14635	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01858	1.5
55.05509	4.2
56.96555	0.9
57.03427	0.8
57.07064	1.0
57.80953	0.6
59.97853	0.6
67.05506	4.1
68.72914	0.7
68.73316	0.7
69.03432	7.5
69.07069	6.6
69.83778	4.0
71.04999	3.4
79.05497	5.0
81.07047	5.2
81.22887	0.8
83.04981	6.9
83.08620	1.1
85.06525	2.1
91.05476	9.6
93.07041	8.5
95.04962	1.5
95.08614	7.7
97.06516	7.3
103.05438	2.1
105.07028	21.6
107.04945	1.7
107.08594	21.7
109.06551	3.6
109.10134	3.8
111.08077	1.3
115.05447	1.2
117.06997	4.1
119.08582	10.6
121.06508	5.3
121.10139	16.7
123.08056	6.6
123.11691	1.4
127.34274	0.8
129.06996	2.0
131.08568	25.2
133.10129	77.0
134.10460	1.0
135.08058	12.3
135.11674	3.2
137.09599	2.7
143.08553	4.7
144.09352	1.7
145.10126	10.7
146.03557	0.7
147.11673	16.1
148.05183	1.5
149.09596	5.3
149.13261	8.1
158.10928	7.0
161.09608	1.8
163.07520	1.9
163.11182	1.4
163.14867	3.8
173.13264	42.9
174.13547	1.1
176.12004	1.3
191.07059	2.3
191.10661	2.6
191.14302	100.0
192.14671	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
51.68721	0.8
53.03937	1.3
55.05497	4.2
57.07069	2.1
67.05506	5.2
69.03429	15.4
69.07065	10.1
69.82902	5.0
69.83955	1.0
71.04962	3.7
79.05481	7.8
81.07040	9.1
83.04981	7.2
83.08616	2.0
85.06524	2.7
86.14043	1.0
87.88069	1.0
91.05474	17.0
93.07034	10.8
95.04965	2.1
95.08604	9.3
97.06509	3.9
98.21417	1.8
99.08114	1.5
103.05470	1.3
105.07029	43.5
107.04914	2.5
107.08595	27.4
109.06484	5.0
109.10144	4.4
111.08061	3.4
115.05451	2.3
117.07008	7.6
119.08578	47.8
121.06518	4.9
121.10127	13.9
123.08086	6.2
123.11708	1.8
129.07024	2.0
130.07735	1.7
131.08563	26.0
132.09340	1.7
133.10126	65.2
135.08049	14.3
135.11694	2.8
143.08565	4.8
143.17940	1.2
144.09297	1.8
145.10115	13.5
147.11678	25.4
149.09613	14.2
149.13261	7.9
150.10335	1.5
158.10922	8.8
161.09567	1.9
163.14839	3.5
173.13266	33.8
191.14299	100.0
192.14694	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	191.143
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15668	1.5
53.03925	2.1
55.05516	8.7
56.96553	4.8
57.03433	2.7
57.07070	9.3
59.05016	2.6
60.78429	1.3
67.05502	9.5
69.03427	8.0
69.07074	12.0
71.01362	3.4
71.04980	7.5
79.05492	13.6
81.03389	2.6
81.07056	17.5
83.04979	7.9
83.08618	4.4
85.06548	5.3
91.04974	1.7
91.05485	21.1
93.07056	21.7
95.04963	7.2
95.08609	18.7
97.02890	1.5
97.06537	8.4
99.08070	3.0
103.05451	3.9
105.07035	37.9
107.04942	4.1
107.08595	34.9
109.06511	13.7
109.10162	13.4
111.08096	1.4
115.05431	2.9
117.07019	11.8
119.08587	20.0
121.06496	9.5
121.10143	24.6
123.08081	11.2
123.11690	11.2
128.06227	1.4
129.06981	5.3
130.07764	3.3
131.04900	5.2
131.08562	50.4
133.06496	1.5
133.10129	70.4
135.08058	20.9
135.11707	6.3
137.09622	2.6
143.08583	9.0
144.09332	3.5
145.06477	2.2
145.10129	33.2
147.08000	2.8
147.11681	18.0
148.08684	1.5
149.06012	2.1
149.09624	15.0
149.13275	13.4
158.10901	12.7
161.09645	2.4
161.13235	2.0
163.07507	3.1
163.11212	4.2
163.14824	7.0
167.97273	1.5
168.05312	1.9
173.05965	3.5
173.09586	4.8
173.13266	62.0
176.11960	1.6
191.03397	3.9
191.07045	8.3
191.09123	2.5
191.10689	14.5
191.14316	100.0
192.06544	2.0
192.10207	2.1
192.14590	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	191.1432
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05514	6.2
56.61777	1.2
56.96557	1.3
57.03442	2.9
57.07059	2.1
59.04986	1.3
65.29402	1.4
67.05509	8.6
69.03430	9.0
69.07068	13.5
71.04298	3.4
71.04984	5.0
73.20313	1.3
79.05493	10.1
81.07056	19.1
83.04991	7.9
83.08609	4.2
85.06528	3.6
91.05482	22.6
91.17477	1.2
93.07046	24.5
95.04959	5.1
95.08616	13.6
97.06521	11.7
101.86929	1.3
103.05452	4.4
105.06386	2.4
105.07039	36.6
107.04945	1.8
107.08602	47.4
109.06530	8.5
109.10165	15.4
111.08092	3.4
115.05441	1.6
116.06247	2.0
117.07022	8.3
119.08585	23.2
120.08092	5.6
121.06530	8.1
121.09306	2.6
121.10142	35.1
123.08074	11.6
123.11706	3.3
129.06992	4.4
130.07852	2.0
131.04941	1.7
131.08571	38.9
133.06503	2.3
133.10136	84.0
135.08063	21.4
135.11725	11.2
136.08762	1.4
137.09630	1.6
143.08560	10.5
144.09335	4.9
145.10132	22.9
147.11684	17.5
148.05197	1.6
149.09631	12.7
149.13268	18.6
150.96866	1.4
158.10893	12.7
158.32460	1.5
161.09644	2.4
161.13271	3.8
163.11203	2.3
163.14822	16.6
171.11635	1.6
173.05913	2.0
173.09683	2.4
173.13280	62.4
174.13533	1.7
176.11963	1.8
191.03256	1.6
191.06860	2.7
191.08252	5.4
191.10675	4.4
191.14316	100.0
192.14656	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
53.03934	0.8
54.31047	0.3
55.01868	2.7
55.05514	1.7
56.96545	0.4
57.03421	0.4
57.07061	0.8
59.04991	0.4
65.03927	0.6
67.05215	0.3
67.05505	3.3
69.03432	13.9
69.03810	0.7
69.07070	13.9
71.04999	2.2
71.10973	0.6
71.11324	0.6
77.03920	0.5
79.05064	0.4
79.05492	3.8
81.03407	0.7
81.06595	0.3
81.07062	4.8
83.04636	0.2
83.04984	2.7
83.08595	0.8
85.06538	0.9
91.05477	6.4
93.07043	13.2
95.04977	2.7
95.08039	0.4
95.08610	5.0
97.06526	2.1
103.05453	1.1
105.06383	0.6
105.07033	8.0
107.04966	2.7
107.08595	14.5
109.06512	3.9
109.09457	0.4
109.10160	5.1
111.08073	0.7
115.05444	0.7
117.06995	2.2
118.04149	0.5
119.07777	0.5
119.08586	5.2
121.06509	13.9
121.10145	10.9
121.11028	0.5
123.08062	5.1
123.11668	1.2
127.95454	0.3
129.07002	0.8
130.07776	1.1
131.04913	0.8
131.08572	8.7
133.06500	0.5
133.10132	11.2
135.08055	12.0
135.11687	5.0
137.09625	1.3
143.08534	1.7
144.09370	0.6
145.06497	0.4
145.10126	8.0
147.07994	0.8
147.11684	20.2
148.05164	0.6
148.08791	0.4
148.12044	0.5
149.05954	0.4
149.09610	4.2
149.13261	8.2
158.10889	2.1
161.09624	4.6
163.07527	1.1
163.11180	2.6
163.14796	2.1
173.09694	2.2
173.13272	12.9
175.11174	0.4
176.11978	1.7
191.03398	1.2
191.07060	2.9
191.10733	6.3
191.14308	100.0
192.06508	0.6
192.14761	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	191.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.8
55.05503	5.2
56.85995	0.8
57.03442	0.9
57.07062	1.8
59.04996	1.4
65.03938	0.7
67.05512	5.2
69.03434	6.5
69.07065	7.2
69.68079	3.6
69.68503	2.1
71.04993	4.2
79.05492	6.4
81.07053	8.6
83.04994	4.5
83.08598	1.6
83.42113	0.7
85.06557	4.9
90.70776	0.7
91.04967	0.9
91.05476	9.7
93.07037	9.0
95.04964	2.8
95.08607	7.1
97.06518	5.2
99.08083	0.8
103.05476	1.6
105.07033	24.1
107.04958	1.8
107.08595	21.8
109.06496	4.3
109.10146	4.7
115.05505	1.0
116.06253	0.9
117.07016	4.0
119.08582	10.4
120.08096	0.7
121.06490	4.1
121.07707	0.8
121.09307	1.0
121.10139	12.2
123.08085	5.0
123.11716	1.9
129.06976	1.9
130.07770	1.3
131.04950	2.2
131.08565	26.1
133.10129	78.6
133.53963	0.8
134.10486	1.0
135.08057	10.5
135.11673	2.5
143.08569	4.3
144.09319	1.4
145.06505	1.8
145.10121	13.9
147.08055	0.9
147.11694	8.5
149.09637	6.6
149.13255	8.3
158.10927	7.0
160.05107	1.8
161.09615	1.8
163.07562	1.5
163.11147	2.4
163.14822	3.9
173.09636	1.5
173.13266	35.7
176.11938	1.4
191.03374	1.4
191.06978	2.6
191.10762	5.2
191.14308	100.0
192.14642	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	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05498	8.4
56.96540	4.0
57.07074	8.9
58.08396	3.4
59.73303	4.1
67.05497	7.9
69.03422	12.0
69.07059	12.0
71.04989	8.9
71.60451	4.3
79.05491	16.6
81.07064	16.5
83.04955	9.2
91.05462	22.6
93.07042	22.4
95.04989	10.1
95.08626	15.6
97.06496	5.7
105.07036	30.3
107.04952	7.3
107.08614	41.9
109.06505	24.8
109.10149	32.2
117.07008	9.1
119.08568	19.5
121.06512	5.7
121.10151	31.0
123.08039	12.3
123.11727	7.0
130.07788	3.9
131.04886	4.7
131.08578	33.4
133.10127	39.0
135.08069	38.7
135.11717	11.7
143.08556	6.3
145.10139	22.6
147.11713	12.6
149.05928	5.6
149.09627	13.5
149.13260	11.5
158.10881	8.3
163.11185	6.2
173.09537	9.0
173.13281	41.5
177.07852	5.6
191.03326	8.5
191.07037	15.2
191.09174	4.1
191.10632	23.1
191.14294	100.0
191.17973	9.0
192.06573	10.1
192.10231	15.9
192.13821	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.4
55.01873	1.9
55.05492	1.4
56.05032	0.9
56.96292	0.7
56.96562	12.7
57.03436	5.2
57.07080	2.4
58.06598	1.6
59.05005	0.6
60.04505	1.1
60.08159	18.8
61.02925	4.3
67.05503	7.3
69.03424	4.7
69.07074	2.5
70.06599	2.0
71.01355	0.6
71.04990	4.4
71.11791	0.4
71.58251	0.7
72.04505	0.6
72.08138	1.7
73.02909	5.1
73.08471	1.2
74.06063	0.5
74.97580	0.7
75.04467	0.5
79.05471	1.0
80.04991	0.9
81.03420	3.0
81.07044	2.1
82.06590	2.8
83.01344	0.5
83.04976	0.6
84.01569	0.7
84.04502	0.9
84.08132	5.2
84.51313	0.8
84.96038	0.8
85.02428	0.5
85.02908	7.3
85.06539	29.7
85.08462	0.9
86.06052	1.2
87.04460	1.0
89.00795	0.5
90.01543	0.4
91.00499	0.4
91.05467	1.0
93.02080	0.9
93.07009	0.8
94.06573	2.1
95.01308	0.7
95.04950	2.4
95.08596	1.9
96.01521	0.6
97.02322	0.9
97.02871	5.5
98.00620	0.4
98.01280	0.9
98.09669	0.8
98.97583	7.6
99.04430	1.4
100.02478	0.5
100.99127	0.6
101.00821	0.8
101.02360	1.0
102.05550	0.5
102.09174	4.4
104.01287	0.8
105.02030	0.6
105.07030	0.7
106.02856	1.7
107.04908	0.4
107.08562	0.7
108.08114	1.2
109.02872	1.0
109.10147	2.7
110.01280	1.8
110.97570	1.0
111.11734	0.5
112.07569	0.6
112.99139	1.5
113.02397	0.6
113.06001	0.5
113.07131	0.6
114.02573	0.6
114.05508	2.9
114.09155	0.8
115.03280	0.4
116.04251	0.7
116.98615	6.5
117.02015	0.6
118.01008	0.8
118.02771	0.6
118.03474	0.6
119.00189	1.2
119.01817	5.7
120.00688	0.5
121.01707	0.5
121.52048	0.8
123.02126	0.4
124.02836	0.5
124.03661	0.5
124.07574	0.5
125.01730	0.6
126.02544	0.5
126.09129	0.5
127.01519	0.8
127.03918	1.7
127.09416	0.5
128.02312	2.0
128.07033	0.5
128.98595	1.5
130.04955	0.7
130.08615	0.9
130.52567	0.4
131.00174	4.3
131.01825	1.3
131.03574	0.6
131.04893	0.5
131.07042	0.5
131.99603	0.6
133.03406	0.6
133.10152	0.6
134.02245	0.9
134.99663	5.1
135.03053	0.8
135.03993	0.6
135.08070	0.7
136.07561	0.9
136.79265	0.4
137.02838	0.9
137.05934	1.3
137.09602	1.3
140.02306	3.3
141.80783	0.4
142.08650	2.7
143.00168	0.6
143.01851	0.6
144.10210	6.2
144.11269	0.6
144.13823	22.1
144.98126	0.6
145.01688	1.3
145.03429	1.7
145.05098	0.6
146.02322	0.7
146.99655	3.0
147.03181	1.0
148.01933	0.4
148.03847	0.7
148.09737	1.8
149.01212	9.8
149.02811	1.8
149.04521	0.4
150.00732	0.5
150.01831	1.1
151.04346	0.4
151.53114	0.8
152.02287	0.5
153.00674	1.0
154.04887	0.4
154.08638	2.0
154.12251	1.6
155.02835	0.9
157.03439	0.7
158.01559	1.0
158.99637	1.8
159.07674	0.7
160.03923	0.6
160.97546	0.5
161.01210	1.1
161.02869	1.7
162.05489	1.8
162.99173	0.8
163.02736	1.5
163.04294	0.5
164.03279	0.5
165.00705	1.1
167.02251	5.1
168.04993	0.5
169.04250	3.3
170.03345	0.8
170.99677	0.8
172.02838	0.8
172.09682	2.8
172.13316	1.6
173.01266	0.7
173.02971	1.0
174.99120	0.4
175.02788	0.6
175.04349	0.5
177.00697	2.6
178.04907	14.4
178.55092	2.4
181.03799	0.5
183.01698	0.4
185.02974	1.5
189.00696	1.5
189.55685	3.3
190.05017	1.4
190.08665	1.8
190.10870	2.2
190.14372	100.0
190.98586	0.7
191.02258	1.1
191.14552	1.7
193.00185	0.6
193.03862	1.0
195.01819	0.4
201.00677	0.7
203.03964	1.0
207.01819	0.6
208.99704	0.5
209.03418	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	190.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.2
55.01866	3.4
55.05504	3.6
56.05030	3.7
56.96564	41.2
57.03429	5.0
57.07067	7.6
58.06604	3.4
59.04993	1.6
59.06126	5.2
60.04530	14.1
60.08165	5.1
61.02919	2.4
62.42231	1.6
67.05506	18.1
69.03432	12.8
69.07069	6.9
70.06595	9.8
71.04994	4.1
71.12228	3.3
72.08149	3.5
72.93771	2.3
73.02916	6.4
74.06086	3.2
74.97610	2.7
75.05597	4.9
79.05524	2.0
81.03413	6.1
81.07084	3.0
82.06599	4.5
83.04927	2.6
83.06083	2.3
84.04498	5.3
84.08147	60.8
85.02903	12.9
85.06544	100.0
86.06077	2.1
86.09701	7.6
87.04482	4.0
87.05585	3.1
87.10038	7.1
88.36427	2.0
89.45461	1.7
90.94838	3.8
91.05484	3.3
93.07071	2.1
95.04975	3.7
95.08616	4.2
97.02891	13.2
98.06036	2.3
98.97601	11.9
99.04436	4.1
99.05575	3.0
100.07590	2.5
101.07159	2.9
102.09179	74.0
106.06541	1.8
107.04950	3.8
107.08555	2.1
108.95844	1.9
109.02891	3.5
109.06523	1.8
109.07610	2.0
109.10143	4.5
110.01256	2.3
111.04449	3.0
112.07626	5.7
114.06663	2.3
116.98602	10.9
119.00156	2.0
119.01804	5.6
120.08115	2.9
121.02879	6.8
121.06455	3.1
125.07169	1.9
126.12792	5.5
127.03960	2.6
128.02290	4.6
128.98618	5.2
130.04985	3.1
130.08633	3.6
131.00244	2.8
131.04811	2.0
131.07056	2.3
131.08597	3.0
131.99736	2.2
133.10202	1.9
134.99666	12.7
135.04417	2.2
135.08025	3.2
137.02301	5.8
137.09676	1.8
142.06133	4.2
144.10197	90.1
144.12068	4.4
144.13829	14.7
145.10112	2.9
146.06012	2.5
146.99677	6.0
147.11661	2.3
147.96930	3.7
147.99123	2.9
148.08603	4.0
148.09682	25.6
148.97357	3.3
149.01213	14.0
150.00734	3.7
152.02345	2.4
154.08615	2.3
154.12314	2.4
155.04626	2.2
158.01297	2.4
161.01260	3.7
162.05501	9.5
166.00282	6.7
167.02336	6.2
167.05609	5.1
167.97223	3.9
172.13309	3.4
173.09547	2.4
173.13263	2.5
177.00693	5.2
178.04973	2.0
186.04462	2.9
187.02829	2.2
187.04416	3.1
189.00740	2.0
190.05095	10.8
190.07057	2.0
190.08585	11.8
190.10736	7.5
190.12976	3.4
190.14427	19.9
191.03444	4.5
191.05611	1.9
191.10605	2.5
191.14282	10.1
194.83423	1.9
204.05559	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	189.1637
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
51.27151	1.2
53.03923	1.2
53.20072	1.0
55.05499	10.8
56.96563	9.2
57.03448	1.3
57.07070	1.3
64.03691	1.4
65.03919	1.4
67.05511	6.2
69.03428	4.3
69.07066	13.7
70.23753	1.2
71.59319	1.4
79.05494	5.6
81.07047	14.6
83.04971	2.8
83.08633	9.2
84.04494	2.0
85.02892	3.4
91.05484	13.9
93.07052	6.9
95.04962	2.2
95.08610	32.8
97.10150	4.4
100.17958	1.3
102.26367	1.1
105.07027	37.0
107.08590	15.9
109.10155	5.3
111.04472	1.9
114.34324	1.3
115.03972	1.5
115.05467	1.9
117.02133	1.2
117.06980	3.2
119.08582	84.3
120.81573	1.1
121.02898	1.8
121.06478	1.4
121.10143	9.5
124.04665	2.3
125.09621	3.1
128.06171	2.0
129.05484	1.4
129.06982	2.1
130.03583	1.2
130.07823	1.3
131.08557	9.0
133.05188	1.7
133.06509	2.2
133.10129	62.3
134.10420	1.4
139.54332	1.1
142.98619	3.5
143.05423	2.0
143.08588	4.2
145.10117	10.3
146.10924	2.4
147.04398	1.2
147.08041	3.1
147.11690	39.8
148.04762	1.9
149.02348	10.5
150.87706	1.3
152.05962	1.4
154.56236	1.6
155.03583	2.0
155.07283	3.1
156.09380	6.6
157.05191	6.0
159.08081	1.3
159.11708	5.4
160.12431	2.6
161.05951	3.1
161.09630	3.4
161.13268	9.5
166.05717	1.3
168.55835	2.0
171.11684	9.7
174.10402	3.5
174.14050	3.2
177.56599	1.3
189.05481	4.9
189.09102	16.1
189.11003	2.2
189.12741	27.5
189.16391	100.0
190.08640	2.2
190.16743	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	190.05
Annotation	2-Oxo-1,2-dihydroquinoline-4-carboxylate
Peak:m/z	Relative Intensity
51.19679	0.6
52.43298	0.6
55.05509	1.3
56.96569	5.4
57.03435	0.9
58.02951	0.6
59.06124	1.1
60.04523	0.7
62.15798	0.6
68.05063	0.8
69.03429	2.2
70.26633	0.6
71.60051	0.6
71.60489	0.8
72.04526	0.8
72.93771	1.0
73.02917	1.6
75.05579	0.8
76.62177	0.6
81.03423	0.9
81.04565	0.6
81.07034	0.8
84.04519	1.1
85.02901	2.7
85.04029	0.8
87.04454	0.9
87.05581	1.3
88.63760	0.5
89.03942	0.9
89.93996	0.7
90.23128	0.6
90.94839	0.8
91.05486	1.0
93.07063	0.9
95.04993	0.8
95.08621	0.7
97.02872	2.9
98.97569	2.1
99.04480	0.8
101.07133	0.6
105.07021	1.4
106.07325	0.7
107.04947	0.7
107.08543	0.8
109.02863	0.9
114.05590	0.6
116.04988	1.7
116.98609	2.0
118.04691	1.5
119.00188	1.4
119.08569	1.0
119.79079	0.6
121.02851	4.1
121.06475	1.2
125.65708	0.5
127.03855	0.6
127.05141	1.4
130.06482	0.9
131.08435	0.6
131.97466	0.7
132.08919	1.0
133.10170	0.9
134.06015	1.2
134.15083	0.6
134.99670	1.4
135.04422	0.7
135.76906	0.6
142.06235	0.7
144.02576	0.7
145.06448	0.8
146.05946	0.9
147.96918	0.9
148.11981	0.7
148.97343	1.1
149.02348	1.2
149.96053	0.8
150.96848	0.8
153.00653	0.8
157.09648	0.9
161.01286	0.6
162.05511	100.0
163.02776	3.3
163.05888	1.5
166.98589	0.9
167.02295	0.7
167.97127	1.2
172.11996	0.9
174.05583	0.8
181.03830	1.1
187.02834	1.1
190.05006	49.8
190.06670	2.0
190.08409	4.9
190.13066	2.1
191.05307	1.2
191.14320	0.8
192.33459	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	1.1
69.03429	4.3
70.29085	0.6
70.72194	1.9
79.05496	1.2
81.07062	0.7
83.05013	1.0
87.93386	0.6
91.05479	3.4
93.07040	0.9
95.04986	1.5
99.78361	0.6
105.07021	8.9
107.08587	1.6
109.06596	1.1
115.05401	1.1
117.06992	3.1
119.08580	15.1
121.06548	0.8
121.10114	1.2
128.06216	1.8
129.06984	2.9
130.07777	2.7
131.08585	4.6
133.06494	2.0
133.10100	4.4
133.74117	0.6
141.06978	5.4
142.07802	1.3
143.08540	5.1
144.09323	1.8
145.06451	1.1
145.10124	16.6
146.10878	0.7
147.08081	6.4
147.11687	11.1
155.08527	2.1
156.09343	42.0
157.09671	1.4
159.08066	4.5
159.11699	12.1
160.08813	1.9
161.09633	2.0
161.13229	4.1
171.11687	56.9
172.12018	1.4
174.10393	8.7
189.12740	100.0
190.13087	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	188.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25557	0.4
55.05514	2.1
56.05030	1.7
56.96555	0.6
57.03430	1.2
58.06615	0.6
59.05001	2.2
60.04523	1.2
60.51865	0.4
61.02927	9.2
67.05499	0.6
67.17087	0.4
69.03429	1.3
69.07060	0.5
70.02946	2.2
70.98975	1.2
71.04992	1.5
72.04530	0.6
74.06071	0.4
75.04491	0.9
79.05522	0.4
80.76410	0.4
81.07069	0.8
82.06596	2.0
83.04986	7.3
83.08616	0.4
84.04507	100.0
85.02908	18.8
85.04834	0.5
86.06067	1.0
87.04476	6.1
91.05489	1.4
93.07059	0.6
95.04977	0.5
95.08627	0.5
96.04529	0.5
98.06037	0.4
98.97583	0.4
100.04023	0.5
100.04765	0.4
100.07630	1.5
105.07030	2.2
107.08595	0.8
110.06036	3.2
111.04456	1.0
117.07058	0.4
118.06522	0.7
119.08566	2.1
125.09655	0.4
126.05518	4.2
128.07079	5.9
129.05528	1.5
129.07042	0.5
131.08607	0.7
132.08969	0.9
133.06514	0.7
133.10152	1.1
142.08670	0.4
143.08594	1.0
144.08070	0.5
145.06401	0.6
145.10110	1.3
146.05994	0.7
146.08168	0.8
147.08008	0.8
147.11723	1.5
149.09590	0.5
156.09285	2.7
157.08612	0.5
159.07993	0.8
159.11687	0.7
160.08531	0.6
161.09662	0.9
161.13286	1.8
170.08153	1.2
170.11765	0.8
171.11702	3.6
174.10439	1.4
188.07838	0.7
188.09224	15.6
188.11511	1.8
189.09167	0.9
189.12759	9.2
209.78073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
53.99585	0.7
55.01854	2.6
55.05499	3.4
56.96562	1.8
57.03418	1.4
65.03913	1.2
67.05502	10.2
69.03421	1.4
69.07046	3.5
69.34014	1.9
69.34418	7.4
77.49364	0.8
79.05070	1.2
79.05496	14.1
81.07054	7.3
83.04979	2.0
83.08615	1.2
84.04494	1.5
85.02879	1.6
85.06525	0.9
91.05479	50.5
92.05827	0.8
93.07042	9.2
95.04964	3.3
95.08607	4.7
97.06513	3.1
97.10145	1.7
98.20529	0.7
105.07024	26.8
106.96548	0.9
107.04962	4.5
107.08620	4.5
109.06511	1.9
115.05436	1.9
117.07024	9.2
119.08581	14.7
121.06496	2.6
121.10165	1.3
124.04689	1.5
124.97620	1.1
125.09574	1.1
128.06206	4.7
129.07002	26.7
130.07771	1.9
131.08583	4.0
133.06485	1.9
133.10118	12.3
135.08060	1.9
141.07030	1.2
142.07782	1.2
142.98624	2.2
143.08565	15.0
145.10118	21.7
147.08067	7.8
147.11696	9.2
149.02347	3.4
156.09355	4.6
159.07974	1.0
159.11697	1.6
161.06004	1.5
161.09570	3.8
161.13239	10.2
161.99289	0.9
169.10127	0.9
171.11685	44.0
174.10400	1.0
189.05431	1.9
189.09230	5.4
189.12727	100.0
190.08556	1.3
190.13055	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	189.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	2.9
56.96551	1.9
57.03419	0.8
57.85259	0.8
59.42856	0.7
67.05486	2.7
69.03410	2.0
69.07053	2.3
70.17722	3.5
79.05477	3.7
81.07053	4.8
83.04958	2.3
84.04507	0.9
85.02903	0.9
91.05476	8.2
93.07031	3.2
95.04958	2.6
95.08571	2.0
98.21461	0.9
105.07030	19.0
106.96531	0.9
107.08583	3.7
109.06525	5.3
111.04427	1.2
115.05446	2.0
116.06249	1.0
117.07017	4.5
119.04887	1.0
119.08576	23.0
120.60014	0.7
121.02812	0.8
121.06483	3.3
121.10109	1.7
124.04592	2.5
124.97591	0.7
128.06189	2.9
129.06990	2.1
130.07738	2.2
131.04858	0.8
131.07707	1.0
131.08572	10.8
133.06450	2.3
133.10138	11.2
135.08058	1.0
141.06975	2.6
142.07788	1.1
142.23651	0.7
142.98618	1.9
143.08554	8.2
144.09383	0.8
145.06477	1.5
145.10127	9.5
146.04044	0.9
146.10883	4.1
147.08061	10.7
147.11687	28.2
149.02341	2.7
149.56795	0.8
150.71051	0.9
156.09337	14.8
159.08057	13.3
159.11696	2.0
160.08786	2.0
161.05919	1.9
161.09644	4.4
161.13245	5.9
166.09099	2.3
171.07970	1.5
171.11685	16.1
173.09633	2.7
174.06824	0.7
174.10410	16.7
177.59895	1.2
189.05470	2.1
189.09180	6.6
189.12730	100.0
189.16286	7.7
190.04820	0.8
190.08618	1.3
190.13043	2.2
199.14749	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	1.6
56.05038	1.7
57.03442	1.6
59.04993	2.2
60.04522	1.2
61.02929	9.9
67.04269	0.3
67.05505	0.3
68.05029	0.6
69.03429	1.2
70.02958	1.9
70.06567	0.8
71.01358	0.3
71.05004	1.6
71.50639	0.3
71.60347	0.4
71.60742	0.5
72.04507	0.8
73.02911	0.7
75.04492	0.9
79.05524	0.3
81.07045	0.5
82.06599	2.0
83.04984	4.4
84.04507	100.0
85.02907	19.4
85.03426	0.7
85.04839	0.9
86.06066	1.1
86.56458	0.3
87.03986	0.5
87.04472	6.8
88.03962	0.4
91.05496	0.7
96.04520	0.5
97.07646	0.4
98.06059	0.6
100.07640	1.7
105.07036	0.8
110.06041	2.8
111.04439	1.1
112.04059	0.4
119.04982	0.3
119.08617	0.5
126.05529	4.6
128.06213	0.4
128.07079	5.4
129.05516	1.5
129.06934	0.6
131.08603	0.6
142.08670	0.5
143.08578	0.4
145.06140	0.3
145.10089	0.5
146.05995	0.6
146.08112	0.5
147.06512	0.4
147.08057	0.4
156.09323	0.6
160.08513	0.4
160.09698	0.9
160.12100	0.5
168.37366	0.3
170.08112	0.7
171.11731	0.9
188.07887	0.9
188.09230	12.5
189.09155	0.7
189.12753	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	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
55.05511	0.4
56.05039	1.2
56.61175	0.3
57.03434	1.0
59.05000	2.1
60.04512	1.3
61.02928	8.3
65.23883	0.3
67.05518	0.5
69.03437	1.0
70.02951	2.1
70.11809	1.3
70.37305	0.3
71.04991	1.6
72.08126	0.3
73.02925	0.3
75.04489	0.7
82.06578	2.1
83.04984	3.6
84.04504	100.0
85.02905	17.7
85.04841	0.7
86.06050	0.6
87.04467	6.4
96.04509	0.3
98.06066	0.4
100.07610	1.5
103.09262	0.3
110.06039	2.7
111.04451	1.0
126.05521	5.0
128.06197	0.6
128.07072	4.7
129.05472	1.2
134.81369	0.4
145.10110	0.5
146.08105	0.6
147.06454	0.6
166.39481	0.4
169.30417	0.3
170.08095	0.7
171.11737	0.9
188.09187	13.4
189.09250	0.4
189.12735	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	188.0917
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
51.98167	0.3
55.05513	1.1
56.05033	1.7
56.96552	0.4
57.03428	1.3
59.04995	2.7
60.04523	1.2
61.02925	8.4
62.83529	0.3
67.01555	0.3
67.05507	0.5
68.05032	0.3
69.03432	1.2
69.78472	2.1
70.02962	1.8
71.04992	1.0
82.06587	2.0
83.04987	4.3
84.04504	100.0
85.02905	17.8
85.04852	0.9
86.06066	0.8
87.04464	7.5
95.08642	0.4
96.04492	0.4
98.06056	0.6
99.04481	0.4
100.07626	1.4
105.05530	0.5
105.07002	0.3
110.06066	3.1
111.04440	1.3
118.34558	0.3
119.08599	0.7
126.05508	5.3
128.07079	5.8
129.05496	1.4
142.08647	0.5
146.08138	1.3
146.10446	0.4
147.06590	0.4
152.07082	0.4
160.09695	0.4
160.11995	0.4
162.56017	0.3
170.08139	1.2
171.06567	0.4
188.09190	15.3
188.11630	0.6
188.15215	0.4
189.09325	0.6
189.12688	0.5
189.16338	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	N2-Acetyl-L-aminoadipate semialdehyde
Peak:m/z	Relative Intensity
55.05502	2.0
56.05036	2.9
56.96554	1.7
57.03434	1.0
59.04997	2.0
59.06105	1.3
60.04523	2.1
61.02927	8.3
61.31438	0.5
67.05537	0.7
68.05019	1.2
69.03426	2.1
69.07060	1.1
70.02955	1.9
70.06594	1.5
71.04198	1.3
71.04535	0.6
71.04984	2.1
72.04520	0.7
72.08113	0.8
74.06071	0.6
75.04485	0.6
79.05491	1.2
79.25211	0.5
81.07061	1.1
82.06593	2.7
83.04978	3.8
84.04504	100.0
84.08150	1.2
85.02906	20.2
86.06056	1.1
86.09717	1.1
87.04473	7.0
88.03980	0.6
88.07595	0.6
91.05475	1.7
93.07025	0.6
95.04967	0.7
96.04451	0.7
98.06046	0.9
98.97577	1.1
100.07626	1.9
105.07036	2.7
110.06057	2.5
111.04453	1.5
114.05512	0.6
116.07174	0.6
116.98672	0.8
118.06536	2.3
119.08606	2.2
126.05522	5.7
128.06192	0.9
128.07072	6.7
129.05499	1.8
131.08594	0.9
133.06567	0.8
134.99672	0.6
140.07123	0.9
142.08636	1.6
143.08557	1.6
144.08102	1.0
145.10152	1.4
146.06023	2.2
146.08142	1.7
147.08113	1.0
147.11705	1.8
156.09369	1.4
159.11668	0.8
160.07539	0.7
160.09767	1.7
161.13251	1.0
170.05991	1.4
170.08142	2.0
171.11649	0.8
173.09314	0.8
177.00743	0.9
188.07468	1.9
188.09206	16.5
188.10710	0.8
188.11650	1.1
189.09152	1.1
189.12723	4.9
189.94121	0.6
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
55.23268	0.4
56.96564	0.7
61.02918	0.5
62.98408	0.3
63.04369	0.3
69.03395	0.4
69.07053	0.5
71.20817	0.8
72.08131	0.4
77.79266	0.4
83.04977	0.4
84.04498	7.6
85.02901	2.1
87.04466	0.6
91.05479	3.8
92.76750	0.4
97.02851	0.5
97.44279	0.3
98.97581	0.9
115.05441	4.4
116.98609	0.4
117.05756	1.0
117.07012	4.2
118.06533	58.7
119.06868	1.1
128.02298	1.0
128.07088	0.5
132.08113	0.5
137.02858	0.6
142.06496	5.4
143.07294	9.7
144.04468	0.9
144.08081	21.6
145.06500	0.6
145.08372	0.6
146.05998	100.0
147.06335	2.3
160.07526	1.0
170.05992	7.0
176.05267	0.5
177.00766	0.5
188.07050	30.8
188.09045	1.6
189.07491	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0918
Annotation	6-Acetamido-3-oxohexanoate
Peak:m/z	Relative Intensity
53.25557	0.4
55.05514	2.1
56.05030	1.7
56.96555	0.6
57.03430	1.2
58.06615	0.6
59.05001	2.2
60.04523	1.2
60.51865	0.4
61.02927	9.2
67.05499	0.6
67.17087	0.4
69.03429	1.3
69.07060	0.5
70.02946	2.2
70.98975	1.2
71.04992	1.5
72.04530	0.6
74.06071	0.4
75.04491	0.9
79.05522	0.4
80.76410	0.4
81.07069	0.8
82.06596	2.0
83.04986	7.3
83.08616	0.4
84.04507	100.0
85.02908	18.8
85.04834	0.5
86.06067	1.0
87.04476	6.1
91.05489	1.4
93.07059	0.6
95.04977	0.5
95.08627	0.5
96.04529	0.5
98.06037	0.4
98.97583	0.4
100.04023	0.5
100.04765	0.4
100.07630	1.5
105.07030	2.2
107.08595	0.8
110.06036	3.2
111.04456	1.0
117.07058	0.4
118.06522	0.7
119.08566	2.1
125.09655	0.4
126.05518	4.2
128.07079	5.9
129.05528	1.5
129.07042	0.5
131.08607	0.7
132.08969	0.9
133.06514	0.7
133.10152	1.1
142.08670	0.4
143.08594	1.0
144.08070	0.5
145.06401	0.6
145.10110	1.3
146.05994	0.7
146.08168	0.8
147.08008	0.8
147.11723	1.5
149.09590	0.5
156.09285	2.7
157.08612	0.5
159.07993	0.8
159.11687	0.7
160.08531	0.6
161.09662	0.9
161.13286	1.8
170.08153	1.2
170.11765	0.8
171.11702	3.6
174.10439	1.4
188.07838	0.7
188.09224	15.6
188.11511	1.8
189.09167	0.9
189.12759	9.2
209.78073	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1481
Annotation	3,6-Dihydrochamazulene
Peak:m/z	Relative Intensity
53.03934	0.4
55.01869	0.4
55.05499	1.1
56.96562	1.6
57.03424	0.4
57.07074	3.8
58.07401	0.5
64.53290	0.4
67.05488	1.5
69.03425	1.9
69.07059	1.1
70.05315	1.9
71.01342	0.5
71.04990	0.4
71.08633	0.7
79.05491	2.0
81.03412	2.1
81.07066	4.0
83.04979	0.6
83.08604	0.6
84.04510	2.0
85.02903	1.1
88.02206	3.4
91.05485	3.8
93.07020	0.8
95.04957	0.8
95.08605	1.1
97.02886	0.6
99.04456	0.5
103.05470	0.4
104.99276	0.4
105.07034	8.0
107.08595	1.5
109.02882	0.4
109.10204	0.6
115.05412	0.6
116.06259	0.5
116.60223	0.3
117.07018	6.2
119.08584	7.7
127.05866	0.6
128.06215	2.6
128.97844	1.1
129.06987	4.2
130.07787	6.4
131.08557	9.4
132.57773	0.8
133.10129	2.7
137.98335	1.2
141.07018	1.4
141.58302	1.6
142.07721	0.6
143.08556	7.9
144.09375	3.4
145.10118	100.0
146.10490	2.0
149.49139	0.7
150.58897	0.5
153.06940	0.6
153.09149	0.6
154.07770	2.7
157.06407	0.5
157.10117	7.3
158.07359	0.8
158.10916	4.3
159.06897	0.7
159.08041	1.6
159.11691	14.4
169.10130	6.6
172.08824	5.2
172.12471	8.0
173.00757	1.3
185.13181	0.6
187.07648	2.1
187.11203	19.7
187.14815	73.7
187.22447	0.9
188.07368	0.3
188.09155	0.9
188.15120	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	188.0706
Annotation	N-Methylquinolinium-2-carboxylate
Peak:m/z	Relative Intensity
50.94471	0.4
53.78300	0.5
56.96565	2.8
59.04981	0.6
61.02925	1.2
66.26874	0.4
69.03423	0.7
69.07072	1.0
71.04983	0.6
71.40424	0.8
77.65630	0.4
81.02013	0.5
82.06580	0.6
84.04498	11.3
84.04964	0.8
85.02897	2.5
87.04449	0.7
91.05473	3.3
93.06981	0.5
94.67822	0.4
97.02875	0.7
98.97581	2.3
100.07603	0.5
110.01261	1.2
110.06043	0.7
115.05464	4.2
116.98641	1.4
117.05753	1.3
117.07011	4.4
118.06539	62.5
119.01798	1.4
119.06862	1.0
124.07553	0.6
126.05496	0.7
128.02303	4.1
128.07074	0.6
132.08150	0.5
134.99664	0.6
137.02823	2.8
139.53081	0.6
142.06529	5.5
143.07295	9.9
144.04456	0.6
144.08081	22.3
145.06488	0.9
146.06004	100.0
147.06340	2.0
155.04756	0.6
155.06046	1.4
158.99654	0.8
160.07510	1.2
160.09596	0.5
167.04744	0.9
170.06001	8.4
176.05214	1.4
177.00755	0.7
188.07063	28.7
188.09004	1.4
189.07428	0.6
195.84430	0.5
203.03583	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67178	1.3
53.03948	1.7
55.01873	1.7
55.05502	3.1
56.96558	1.9
57.07071	3.5
59.03801	1.0
67.05505	8.7
69.03423	6.7
69.07053	3.4
69.69527	1.0
71.01353	1.8
71.04980	1.8
71.59235	2.0
71.76508	1.1
79.05494	7.4
81.03426	8.5
81.07069	11.0
83.04964	1.9
83.08617	2.8
84.04506	5.7
85.02880	2.9
88.02207	9.0
90.92182	1.3
90.94727	1.1
91.05482	13.6
93.07040	4.2
95.04950	6.7
95.08616	2.3
97.02895	2.2
99.04482	1.9
99.10858	1.1
101.85985	1.1
104.99310	1.9
105.07031	31.5
107.04956	4.6
107.08579	2.9
107.62560	1.4
109.02875	1.5
109.10149	2.1
115.05431	4.5
116.06252	2.2
117.06216	1.7
117.07020	21.8
119.05013	1.2
119.07786	2.3
119.08581	24.5
121.06542	1.1
123.08095	1.1
127.03907	2.6
128.06201	4.6
129.07010	14.0
130.07785	10.4
131.04880	2.1
131.08566	44.4
133.06499	1.8
133.10123	2.6
141.07008	8.6
142.07776	11.6
143.08580	14.2
144.09357	18.2
145.06496	16.0
145.10127	100.0
146.10481	1.7
149.49168	1.1
154.07765	9.6
157.10152	18.0
158.07265	2.0
158.10870	5.0
159.08107	7.7
159.11711	49.7
169.10138	12.7
169.47314	1.1
172.08832	5.7
172.12479	10.1
173.00838	4.0
187.03915	2.4
187.06065	2.4
187.07579	9.5
187.11194	53.4
187.14818	80.2
187.22346	1.3
188.09186	2.0
188.11549	1.8
203.06203	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	186.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19513	0.2
55.01862	0.3
55.05516	0.6
56.05024	0.5
56.96560	0.8
57.03431	0.6
57.07056	0.2
58.06593	0.5
59.05000	0.2
59.06125	0.3
60.04523	0.6
67.05511	0.6
68.05022	0.4
69.03416	1.0
69.07069	0.6
69.53465	1.5
70.02938	0.2
70.06590	100.0
71.01356	0.3
71.05002	0.6
71.06909	1.2
72.04521	0.5
72.08163	0.6
73.43494	0.2
79.05505	0.5
80.05024	0.5
81.03403	0.9
81.07057	1.2
82.06571	0.5
83.04964	0.4
84.04505	1.4
84.08157	0.7
85.02904	3.4
85.06573	0.2
85.07670	0.3
86.06078	0.3
86.09704	0.3
87.04487	0.2
88.02234	0.3
91.05455	0.5
93.07048	0.4
94.06579	0.4
95.04982	0.5
95.08624	0.5
96.04514	0.2
97.02895	0.7
97.06547	0.5
97.07651	0.3
98.06052	0.9
98.97602	0.3
99.04462	0.5
99.06303	0.2
109.02891	0.5
109.06528	0.3
109.07689	0.3
109.10132	0.4
110.06072	0.3
112.07634	0.8
113.04832	0.3
114.05527	4.0
114.06275	0.3
116.98608	0.4
121.00803	1.1
121.01682	0.5
122.06079	0.3
122.10486	0.4
123.08117	0.4
123.11689	0.6
124.12096	0.3
124.17701	0.2
126.05518	4.0
126.06382	0.2
126.09185	0.3
127.03939	0.8
127.04815	0.2
127.07578	0.3
127.08765	0.2
128.07074	0.4
131.08623	0.4
136.06223	0.2
136.87912	0.2
137.03894	0.2
139.01807	2.5
140.07066	1.0
140.14374	0.3
141.05504	0.3
141.06985	0.2
144.05638	1.2
144.06685	0.4
145.06470	0.2
145.10078	0.3
155.03391	0.2
158.08224	0.5
159.08116	0.6
159.11729	0.6
163.01779	2.2
168.06625	0.7
168.13844	4.7
168.15173	0.3
169.09740	0.3
172.05173	1.2
173.00912	0.5
175.06281	0.2
177.00815	0.2
181.02867	6.4
184.06805	0.3
186.03587	0.5
186.05965	0.4
186.07582	2.4
186.08853	0.2
186.11298	0.7
186.13525	0.4
186.14922	2.8
186.18385	0.9
187.03979	0.3
187.06105	0.3
187.07549	4.3
187.11159	1.2
187.14853	0.3
204.04460	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	185.1537
Annotation	Chokol G
Peak:m/z	Relative Intensity
52.14976	3.1
53.03936	5.3
55.01879	17.6
55.05509	25.6
56.05023	4.1
56.96561	12.8
57.03425	11.1
57.07074	9.2
59.05002	6.1
59.06102	9.3
60.13083	2.8
67.05502	44.5
68.05015	4.5
69.03425	22.0
69.06721	5.2
69.07069	68.4
69.65926	22.9
70.06589	6.7
71.04993	79.0
71.08615	14.9
72.08141	16.9
73.06551	13.6
75.76164	3.0
79.05122	3.7
79.05502	41.5
80.04990	3.9
81.03400	3.9
81.07058	100.0
83.04978	11.4
83.06102	7.6
83.08624	19.7
84.04491	13.2
84.08147	4.7
85.02908	23.6
85.06530	18.4
85.07639	6.1
86.09711	22.0
87.04459	7.7
91.05493	15.8
93.07043	78.3
95.04948	14.5
95.08609	86.3
97.02885	5.3
97.06536	25.8
97.07629	6.6
97.10150	7.9
98.06039	4.3
98.97588	24.9
99.04494	5.7
99.05528	4.6
99.08103	44.6
99.09122	3.7
100.07597	3.6
101.06025	5.2
102.96883	16.9
105.07026	9.3
107.04976	3.6
107.08604	72.8
109.06503	6.4
109.07650	3.6
109.10146	40.3
110.05990	4.5
110.07162	4.4
111.04460	7.0
111.08076	17.8
111.09197	4.8
113.05986	4.5
114.05529	28.2
116.98634	25.8
120.02026	9.3
120.97885	26.3
121.00764	8.1
121.06496	4.1
121.10153	60.5
123.05588	3.8
123.08105	15.8
123.11707	32.6
125.02348	5.4
125.06019	19.9
125.06915	3.7
125.07919	6.3
125.09607	15.6
126.05529	18.5
126.06396	3.5
127.03922	4.4
127.07501	3.3
127.08653	4.5
128.06212	14.0
128.07043	3.5
128.92824	4.1
129.07008	24.5
131.08524	5.7
134.99640	16.0
138.03073	4.7
138.98950	45.8
139.01855	15.6
139.07516	8.6
139.11176	25.7
140.07028	8.0
140.10724	23.1
140.95610	3.2
141.06937	9.6
142.07800	24.4
143.07021	8.7
143.08604	28.2
144.06572	3.7
149.09633	12.0
149.13258	69.2
153.05414	5.7
155.08505	6.0
156.09273	5.4
157.00002	12.0
157.04944	4.2
157.06422	6.8
157.10129	25.2
158.99664	14.5
159.04129	3.8
162.00558	4.8
162.03229	3.9
163.01799	14.9
163.06288	7.8
167.06984	5.1
167.10690	29.0
167.14270	27.9
168.11360	5.1
170.10916	14.5
170.99600	3.5
176.96164	3.1
177.00743	24.5
181.02864	45.9
185.04437	8.3
185.05855	5.8
185.09543	30.1
185.11722	15.2
185.13297	44.8
185.15364	74.9
186.07680	18.6
186.11224	11.8
186.18558	3.6
195.01875	3.7
196.99294	3.5
200.02364	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	184.0969
Annotation	N-(cyclohex-1-en-1-ylcarbonyl)glycine
Peak:m/z	Relative Intensity
50.40084	0.8
55.01871	1.4
55.05508	4.9
56.05015	1.2
56.05841	1.3
56.96564	2.5
57.03416	1.0
57.07067	1.9
59.06114	1.4
67.05505	3.7
68.05029	1.9
69.03430	3.4
69.07066	4.2
70.03767	1.6
70.06584	2.6
70.07417	1.9
70.77431	2.5
71.04997	2.7
75.06974	0.9
79.05509	3.9
81.03430	1.0
81.05811	1.2
81.07056	8.3
82.06577	3.1
82.07377	4.3
82.97517	0.9
83.04992	1.5
83.06104	1.5
83.08614	1.7
84.04518	1.1
84.08169	1.2
84.08947	1.1
85.06548	1.1
85.41000	0.8
86.09693	5.1
88.05357	0.9
91.05496	2.1
93.07046	6.3
93.78212	0.7
94.06606	1.1
94.07323	1.0
95.04964	2.7
95.08608	7.4
96.04499	2.9
96.05296	3.0
96.08141	6.0
96.08932	2.4
97.06535	2.3
97.07634	1.3
98.06030	1.4
98.94887	1.0
98.98469	1.9
99.04458	1.1
99.08092	1.9
100.08412	1.0
101.95059	2.0
102.96857	1.1
105.07050	2.0
106.03673	0.9
106.07351	1.0
107.08599	2.1
109.06506	1.6
109.07642	0.9
109.10141	1.4
109.88727	0.9
110.06052	9.0
110.06808	1.4
110.09680	3.3
110.10435	1.2
111.08077	1.5
111.09221	0.9
119.01922	6.6
119.96033	0.9
120.08119	2.2
120.08926	1.5
120.97932	1.4
121.06487	1.9
121.10140	2.8
122.09650	2.2
122.10493	2.5
123.06813	1.3
123.08090	1.6
123.11718	3.3
124.04801	2.8
124.07594	100.0
124.12014	4.5
125.00014	2.6
125.06041	1.3
125.07101	1.6
125.07932	1.6
125.09653	1.5
128.06219	0.8
129.06993	2.9
131.08557	0.8
137.02991	5.1
137.97113	2.0
137.99295	1.0
138.05463	2.1
138.09134	27.2
138.13660	1.0
138.98985	1.8
139.11151	1.8
140.11534	2.9
142.03543	1.8
142.04922	1.1
142.07767	1.7
143.01913	0.9
143.08560	1.6
148.07565	1.0
148.12090	1.1
149.06017	1.2
149.09636	1.1
155.98216	1.8
156.08076	2.3
156.10219	1.3
156.13890	0.9
157.00034	1.9
157.06598	1.2
157.10104	3.0
161.02943	2.3
166.04898	1.2
166.08632	21.7
166.09906	1.4
166.13135	3.0
170.10916	1.5
177.52119	0.8
184.04617	1.1
184.06125	1.3
184.07489	8.0
184.09712	42.4
184.14267	2.2
185.09708	3.0
185.13271	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	184.0605
Annotation	3-Hydroxy-4-hydroxymethyl-2-methylpyridine-5-carboxylate
Peak:m/z	Relative Intensity
53.03938	0.9
55.01850	0.9
55.05505	3.9
56.05034	1.9
56.96562	20.9
57.03433	2.8
58.06589	1.9
60.04499	2.1
60.08166	5.6
61.02919	1.4
65.03943	1.7
66.16129	0.7
67.05503	1.2
68.05004	1.0
69.03415	2.8
69.07069	1.9
70.06594	7.0
70.14304	3.4
71.04982	1.0
71.07375	2.5
71.95257	2.1
72.04514	1.0
72.08130	2.1
73.02904	3.0
73.06554	1.2
74.97605	1.1
78.49818	0.8
79.05450	1.2
81.03418	2.4
81.07047	1.1
82.06574	2.0
83.04993	1.3
83.06113	1.9
84.04498	2.5
84.08151	1.1
84.96021	1.6
85.02908	4.7
85.06548	1.5
85.07684	0.9
86.06052	2.6
86.09705	30.1
86.58655	0.7
92.05002	1.7
93.07066	0.8
94.06569	1.0
95.04979	2.5
95.06079	2.2
95.08614	1.3
96.04470	1.5
96.05275	1.5
96.08128	1.4
97.02889	3.6
97.07627	2.3
97.99172	1.2
98.06054	2.1
98.07161	1.0
98.97585	6.0
98.98419	4.1
99.04436	0.9
99.08105	0.7
100.07644	1.2
101.00849	7.0
101.95035	8.9
101.97206	0.7
102.25778	0.7
102.96860	2.6
104.01272	0.8
104.10725	2.5
106.03721	0.9
106.87914	0.8
107.04939	3.5
107.08620	0.9
109.07650	2.7
110.01268	1.0
110.06025	2.5
110.07154	1.9
111.09203	1.5
112.07613	2.0
112.08698	0.9
113.00878	0.8
113.07104	0.9
114.06628	0.8
116.00200	1.4
116.98604	4.6
118.03506	1.0
119.01914	98.9
119.96080	6.6
119.98196	1.7
120.02037	3.5
120.04496	2.0
120.08054	1.2
120.97935	4.7
121.07687	1.1
122.06019	1.1
123.04446	1.8
124.03902	1.2
124.04757	1.0
124.07578	2.7
124.08513	0.9
124.99997	21.7
125.07142	3.7
126.05501	1.2
127.03960	1.0
127.08618	0.9
128.02298	1.9
128.98618	2.0
134.99680	6.1
135.00597	1.2
137.02948	59.4
137.97098	11.7
137.99327	1.3
138.03099	2.0
138.05475	7.8
138.09096	1.9
138.98976	7.2
139.07541	0.8
139.08620	2.0
141.06616	0.9
142.02426	1.4
142.03491	25.0
142.04660	1.5
142.09750	0.8
143.00124	1.3
143.01982	1.7
143.03593	2.4
143.08302	0.8
145.01649	0.9
145.62038	0.7
146.99623	1.8
148.03920	61.8
149.01169	1.6
149.07062	1.1
150.01852	0.8
153.00670	1.5
155.04626	5.2
155.98164	8.5
156.00270	0.9
156.10100	0.8
156.99989	1.8
157.09851	1.2
157.94405	0.7
158.99657	1.5
159.03275	1.1
160.04570	12.8
160.97542	1.6
160.98781	2.0
161.01201	3.3
161.02942	13.9
161.04854	5.1
161.52538	0.9
162.00493	0.9
164.05167	1.6
165.05141	1.7
166.04994	100.0
166.09724	1.9
167.05402	1.7
177.00691	3.1
177.04280	0.9
178.99852	1.9
179.02437	1.4
179.03990	16.8
179.05551	1.6
181.00194	0.9
184.03018	1.2
184.04372	1.6
184.04671	1.2
184.06003	17.1
184.07359	38.1
184.09508	2.1
184.10922	6.2
184.13155	3.7
185.09283	1.5
202.03900	1.0
202.05632	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	184.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	2.0
55.01867	2.3
55.05495	2.3
56.05024	4.0
56.96564	17.4
57.03420	4.0
58.06627	1.3
59.06113	3.7
60.04518	2.7
60.08143	2.1
61.02916	3.0
67.04218	1.4
67.05495	2.8
68.05019	5.5
69.03416	6.1
69.04546	1.9
69.07039	1.9
70.06596	9.4
70.95858	1.5
70.98100	1.9
71.04990	3.7
71.06114	1.3
71.07382	1.7
71.49297	1.5
71.60207	2.1
71.95246	2.0
72.08144	2.9
72.93790	1.9
73.02895	2.3
78.17539	1.4
79.05495	1.5
80.05012	2.4
81.03413	2.5
81.04522	3.4
81.07054	5.3
81.33606	1.4
82.06566	2.8
83.00529	1.4
83.06084	6.2
84.04486	4.7
84.08125	2.3
85.02903	6.0
85.07665	2.4
86.06066	3.8
86.09708	16.1
94.06532	1.6
95.04967	3.2
95.06060	2.3
95.08637	1.6
96.04542	1.4
96.05308	4.2
96.08129	2.4
96.09877	1.4
97.02926	7.8
97.06486	1.6
97.07661	6.9
98.06071	3.3
98.97572	2.7
98.98460	3.3
99.04449	2.9
99.05572	3.2
101.00865	6.8
101.95043	9.5
102.05552	2.8
102.96886	2.9
104.10718	2.0
105.03368	1.9
109.02863	1.9
109.06522	3.4
109.07632	5.9
110.06019	2.8
111.05624	1.6
111.09234	1.3
112.02831	4.4
112.07611	1.8
113.07128	2.0
114.05508	1.6
116.98592	3.6
119.01923	100.0
119.96058	6.9
120.02038	2.8
120.97880	2.4
121.03375	6.0
121.07645	2.6
122.06007	1.4
123.04408	2.8
123.09165	3.0
124.03938	2.6
124.04781	3.8
124.07572	8.6
124.08665	4.4
125.00024	12.1
125.02369	1.6
125.07104	4.8
127.03917	2.7
134.99663	3.0
137.02950	59.3
137.07063	1.9
137.97102	9.9
138.05493	4.1
138.09132	5.1
138.10133	1.9
138.98935	6.6
139.03288	2.4
139.08627	2.0
140.10674	3.9
141.06618	2.5
142.03500	27.4
142.04688	2.4
142.87996	1.5
143.03563	2.8
144.08940	3.0
145.01712	5.4
145.03400	2.9
146.04172	1.9
146.99649	1.4
148.04713	3.0
152.07100	1.5
154.03889	1.9
155.98163	6.9
156.10176	2.2
156.99985	1.8
160.04558	12.5
161.01256	2.6
161.02950	11.3
161.04070	2.1
163.02776	11.7
166.05019	3.5
166.08592	3.3
166.09851	2.7
167.08153	3.2
177.00705	2.0
178.99820	2.1
179.02478	2.6
179.03990	14.0
179.05457	2.3
181.03931	2.7
184.04832	12.9
184.07381	21.3
184.09631	7.3
184.11111	8.2
184.13231	6.9
185.04485	1.6
195.55737	3.6
198.75093	1.6
203.02274	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	182.1539
Annotation	(+)-Myrioxazine A
Peak:m/z	Relative Intensity
53.03946	0.6
55.01870	0.7
55.05513	5.2
55.70481	0.5
56.96546	0.7
57.03432	1.3
57.07057	2.0
58.02962	24.9
59.04997	0.5
67.05503	16.0
69.03416	0.6
69.07068	53.1
70.06582	2.3
70.07384	0.6
70.79510	1.7
71.08620	0.5
72.08128	0.7
73.45991	0.5
74.06075	0.8
79.05490	4.7
81.07057	15.9
82.06558	0.6
83.04980	1.3
83.08615	5.5
84.08150	6.8
84.16443	0.6
85.06507	0.6
86.06062	0.8
91.05492	4.3
93.07053	7.5
95.04969	3.0
95.08604	5.0
97.06525	2.7
98.06052	2.1
98.09696	1.7
98.97604	3.8
99.97906	2.2
100.07614	6.6
105.07031	11.5
107.08600	13.8
108.08927	0.6
109.06519	1.6
109.10155	38.9
110.10500	0.6
111.08013	0.6
112.07614	2.6
114.09164	14.2
116.98631	4.1
117.98957	1.6
119.08595	1.3
121.10133	1.9
123.04433	0.9
123.08054	0.7
123.11720	6.4
124.11143	0.8
126.09155	12.5
126.12787	1.3
133.10127	30.0
134.10487	0.7
134.99664	4.2
135.11687	15.8
135.99982	1.7
136.12053	0.7
137.13214	0.6
138.12776	17.0
138.81804	0.5
140.10710	0.9
140.14330	1.0
147.11690	3.5
151.11185	10.1
153.12733	11.6
154.15898	1.8
158.01212	0.6
160.04594	0.7
164.14368	2.1
165.12782	2.4
182.15405	100.0
183.15753	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	184.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.36799	0.4
60.32136	0.4
70.72087	0.9
70.72478	0.8
82.99844	1.1
89.48637	0.4
101.00874	18.2
102.00941	0.6
102.96875	0.6
119.01920	100.0
120.01991	4.6
124.02433	1.1
137.02956	39.4
137.49983	0.4
138.03059	1.3
138.98994	0.4
142.03499	24.6
143.01910	0.4
143.03676	2.5
146.48782	0.6
149.00713	0.4
151.86807	0.4
157.99516	0.6
160.04561	8.5
161.02974	7.9
161.04665	2.4
165.05087	1.2
179.04008	16.6
179.05533	0.9
180.04121	0.5
184.04523	0.5
202.05576	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.0812
Annotation	Tyrosine
Peak:m/z	Relative Intensity
50.07105	0.4
53.03942	0.4
55.01875	0.4
55.05510	0.9
56.96569	3.2
59.29990	0.4
63.62645	0.4
67.05505	0.9
68.05038	0.6
69.03415	1.2
69.07060	1.1
70.06583	0.7
70.23270	1.6
70.23644	0.9
72.04519	0.6
74.02431	1.9
79.05482	0.8
80.05002	0.7
81.03399	0.7
81.07039	1.0
83.06091	0.8
84.08136	0.5
85.02892	0.6
86.06075	0.7
91.05482	28.2
92.05047	0.4
92.05795	0.7
94.06593	0.8
95.04980	4.7
95.06064	0.8
96.04467	0.5
97.02892	1.0
97.07651	0.6
97.31056	0.4
98.06055	1.0
98.97586	4.4
99.97915	1.8
103.05491	0.9
105.03400	0.7
106.06554	0.5
107.04974	0.7
108.08159	0.8
109.06535	2.6
109.07609	0.9
113.05944	1.4
113.07119	0.5
116.98624	5.5
117.98936	2.0
118.06540	2.4
119.04943	29.6
120.05184	0.5
120.08124	0.5
121.06476	0.4
122.06020	1.2
122.06961	0.5
123.04430	13.8
124.07627	0.8
124.32892	0.4
134.99657	4.8
135.56978	1.7
135.99994	1.2
136.07578	100.0
137.05933	0.5
137.07968	1.5
140.07123	0.5
140.08174	0.8
141.06506	0.5
147.04390	5.8
150.05482	2.7
153.00723	0.9
154.08633	0.9
155.04593	0.5
164.07092	3.4
165.05478	9.4
170.05196	0.6
174.96825	0.5
177.00719	1.3
181.84134	0.5
182.00912	0.5
182.04562	0.6
182.08089	8.9
182.12903	0.7
183.02888	1.1
193.48309	0.4
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	Tyrosine
Peak:m/z	Relative Intensity
53.03931	0.2
55.01865	0.4
55.05508	0.4
56.05028	0.2
56.96560	5.4
57.03432	1.6
58.99858	0.1
59.04995	0.2
60.04523	0.2
60.95848	0.2
61.02917	1.4
65.03938	0.4
67.05507	0.3
69.03420	1.6
70.06582	0.2
70.98103	0.2
71.01345	0.3
71.04979	0.4
71.58213	0.1
72.08125	0.3
73.02910	1.3
73.06549	0.4
74.06052	0.1
74.97586	0.3
77.00898	0.2
78.95288	0.2
79.05489	0.1
80.05013	0.1
81.03416	1.0
81.07067	0.3
83.00798	0.1
83.01319	0.1
83.04976	0.3
84.04497	0.3
84.08154	0.7
84.96021	0.7
85.02895	2.5
85.06531	0.5
86.03239	0.1
86.09696	0.2
87.04453	0.4
87.10048	0.1
88.03951	0.1
88.99181	0.1
89.00829	0.2
91.05471	23.8
92.01261	0.1
92.05807	0.4
93.07033	0.4
94.06574	0.2
95.04960	10.1
96.05293	0.1
97.02278	0.2
97.02875	2.7
97.52032	0.2
97.99197	0.1
98.01278	0.2
98.03109	1.0
98.97572	2.7
99.04458	0.4
99.97919	0.4
100.02493	0.5
100.99193	0.1
101.00871	0.3
101.02419	0.1
101.99737	0.1
102.96884	0.2
103.03200	0.1
103.05453	1.0
104.01250	0.1
106.02842	0.1
107.01809	0.2
107.03622	0.3
107.04949	0.9
108.05247	0.1
108.08086	0.9
109.02835	0.6
109.06520	1.0
110.01295	0.1
110.03114	0.3
110.03959	0.2
110.97560	0.2
111.00171	0.1
112.99118	0.4
113.00902	0.2
113.02380	0.1
113.03429	0.1
115.00704	0.3
115.02437	0.3
115.03920	0.2
116.03104	0.2
116.98611	2.3
117.01978	0.2
117.03881	0.4
117.05740	0.2
117.98953	0.4
118.03545	0.4
118.06528	1.0
119.01888	1.5
119.04932	31.3
119.97890	0.2
120.00650	0.2
120.05283	0.4
120.97937	0.1
121.01659	0.2
121.06503	1.1
122.02132	0.1
122.03075	0.1
122.06032	0.2
123.04417	42.7
124.04760	0.6
125.03603	0.5
127.01530	0.2
127.03947	0.4
128.02310	0.7
128.98592	0.4
129.02193	0.7
129.03867	0.2
129.10217	0.3
130.08549	0.1
131.00192	0.5
131.01859	0.8
131.03545	0.2
132.03438	0.2
132.04369	0.4
133.01717	0.3
133.03419	1.1
133.04948	0.1
134.99657	1.6
135.03214	0.2
135.35594	0.1
135.99976	0.3
136.07565	100.0
137.02902	0.3
137.04497	0.1
137.05983	0.5
137.07925	1.5
138.05441	0.2
140.02388	0.1
140.98578	0.2
142.03441	0.4
142.96448	0.1
143.00140	0.2
143.01918	0.1
144.99803	0.7
145.03415	0.3
145.04948	0.2
146.99637	0.5
147.03285	1.4
147.04378	16.1
147.11339	0.1
148.03732	0.2
148.04782	0.3
149.01195	0.4
149.02922	0.3
150.01726	0.2
150.03488	0.2
151.04517	0.2
152.55006	0.1
153.00648	0.2
154.03477	0.4
154.08604	0.3
155.01820	0.1
156.03534	0.1
157.03471	0.2
158.01219	0.2
158.03455	0.1
158.99629	1.4
159.01414	0.2
159.03246	1.3
159.04900	0.5
160.02574	0.2
160.04564	0.6
160.97568	0.1
161.01190	0.3
161.02924	0.2
161.04474	2.0
161.05672	0.4
161.54678	0.3
161.55830	0.2
162.05464	0.1
163.00897	0.1
163.02660	0.2
163.04648	0.1
164.05670	0.2
164.07027	1.2
165.05458	33.4
166.05899	0.6
167.02116	0.2
168.01404	0.4
169.03084	0.2
170.05103	5.9
170.55241	0.8
172.04497	0.1
173.01260	0.1
173.02820	0.1
174.99184	0.1
175.02728	0.2
177.00694	2.2
177.02417	0.8
177.04306	1.9
177.06020	0.4
179.02177	0.2
181.55792	0.6
182.02956	0.2
182.08109	10.1
182.11531	0.2
183.05014	0.1
187.00279	1.0
189.00652	0.2
193.00139	0.2
195.01706	0.4
195.03548	0.2
195.05359	0.9
195.07137	0.4
200.02283	0.1
200.03983	0.2
200.07648	0.2
201.00693	0.3
201.04280	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	181.1222
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.01872	2.0
55.05492	2.3
56.96566	6.8
57.07074	27.8
59.04987	2.1
67.05482	2.5
69.03421	1.4
69.07048	4.5
69.93253	2.7
69.93673	4.1
73.19994	1.0
79.05118	1.0
79.05495	9.5
81.03419	6.4
81.07047	6.7
83.04978	56.1
91.05456	3.4
93.07037	8.9
95.04958	19.1
95.08614	1.7
97.06523	35.0
98.20800	1.3
98.97578	25.2
100.80654	1.0
105.07005	5.0
107.04935	3.6
107.08577	8.4
109.10158	1.5
116.98613	36.6
117.03344	1.3
119.08557	3.3
121.06510	3.9
121.10136	11.3
125.05985	95.9
126.06284	1.8
130.07729	3.1
134.99652	57.4
135.04378	2.2
135.08003	1.2
135.11711	6.1
140.00165	6.3
145.10114	8.4
153.00681	17.0
158.01241	19.3
163.03896	4.6
163.11166	100.0
164.11522	2.7
176.02290	5.5
181.02834	4.3
181.04869	1.3
181.10591	2.5
181.12222	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	181.1222
Annotation	Limonenecarboxylic acid
Peak:m/z	Relative Intensity
50.83912	0.9
53.03934	2.1
55.01878	1.3
55.05506	5.4
56.96332	1.2
56.96567	12.1
57.03429	1.2
57.07072	14.1
59.05003	1.3
59.45563	0.8
60.37494	1.0
64.77966	1.0
67.05492	2.4
69.03415	1.4
69.07055	3.3
71.95245	2.1
79.05493	7.2
81.03399	4.8
81.07055	5.6
83.04981	28.9
83.08599	2.7
85.06524	1.7
91.05476	6.8
93.07034	12.7
95.04965	12.1
95.08610	3.7
97.02919	1.3
97.06540	16.2
98.21542	1.7
98.97582	80.1
101.95828	1.0
102.63027	1.0
105.07011	4.3
107.04942	2.9
107.08599	8.2
108.08111	1.9
109.07700	1.0
109.10134	1.4
116.98618	100.0
117.07018	1.0
119.08573	2.7
121.06500	4.5
121.09319	1.4
121.10149	17.7
122.07095	1.5
123.08047	2.9
125.05990	42.6
130.07854	1.1
134.99657	75.1
135.04407	2.5
135.08020	2.9
135.11694	6.4
136.07578	74.4
138.06683	0.9
139.07542	1.4
140.00197	6.2
140.07050	2.0
140.08105	1.1
142.85435	1.0
145.10118	8.2
149.02341	4.6
149.05959	1.4
151.57765	1.0
153.00720	14.6
158.01247	13.7
163.03876	4.6
163.11176	48.7
163.14857	1.3
164.07063	54.0
164.11488	1.8
176.02342	1.6
181.04994	1.6
181.08611	2.2
181.10912	1.3
181.12227	27.1
181.15807	1.3
182.08096	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	182.0812
Annotation	3-Hydroxy-L-phenylalanine
Peak:m/z	Relative Intensity
51.02369	0.2
53.03939	0.9
55.05530	0.1
59.08181	0.2
65.03952	0.3
67.05509	0.6
69.58281	0.4
69.58705	0.9
77.03927	0.4
79.05087	0.2
79.05480	0.8
80.05009	0.2
81.03403	0.5
81.07057	0.6
83.04983	0.2
91.05474	4.1
93.05779	0.8
93.07040	3.2
94.06559	0.7
94.07418	0.2
95.04970	2.6
95.08614	0.2
96.04491	0.2
98.97582	0.7
99.97920	0.4
105.04545	0.3
108.04470	0.3
108.08131	2.3
116.98609	0.9
117.98938	0.3
120.08927	0.2
122.06052	1.0
122.10511	0.3
123.04437	0.5
123.05563	0.4
126.05521	2.2
126.06345	0.3
134.99677	0.6
136.07573	100.0
137.07932	1.4
140.04622	0.2
140.07076	3.2
140.08157	0.5
154.08623	0.3
164.07062	67.6
165.07375	1.0
182.08075	1.0
182.12538	0.3
182.15335	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	179.1431
Annotation	[R-(E)]-4-(4-Methyl-3-cyclohexen-1-yl)-3-penten-2-one
Peak:m/z	Relative Intensity
53.03955	1.3
54.23672	1.2
54.38013	1.2
55.01871	7.8
55.05508	7.4
56.96565	9.0
57.03430	7.0
57.07060	1.5
58.34976	1.3
64.15068	1.5
67.05170	2.3
67.05505	31.4
69.03422	2.3
69.07058	8.5
69.55104	6.6
69.55508	3.7
71.04981	4.3
79.05491	25.6
81.07056	80.4
83.04982	7.8
83.08616	3.5
85.06549	5.4
91.05480	34.7
92.05855	1.2
93.06467	2.6
93.07044	36.4
95.04976	7.8
95.08604	65.9
96.08900	1.4
97.06530	18.3
99.08128	7.9
99.08665	1.3
103.05444	1.3
105.07033	36.9
107.08597	21.2
109.06496	5.3
109.10163	6.2
111.08069	5.8
117.07057	2.3
119.04930	9.4
119.08578	53.8
121.06508	1.5
121.10154	15.2
123.04443	2.8
123.08062	10.9
123.11685	1.8
132.29602	1.3
133.02849	2.8
133.06480	4.0
133.09109	1.8
133.10129	35.4
135.11693	34.6
136.05132	1.3
137.08327	1.2
137.09628	5.5
137.13237	2.1
147.04430	19.0
151.11185	2.6
161.05978	9.1
161.09587	2.3
161.13252	89.8
162.09134	1.9
162.13600	2.3
179.03384	14.6
179.07175	7.5
179.10725	5.8
179.14310	100.0
180.14687	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	181.1223
Annotation	Nortricycloekasantalic acid
Peak:m/z	Relative Intensity
55.05512	3.0
56.96559	5.8
57.07079	30.7
58.35012	1.8
59.05009	3.2
67.05490	2.1
69.03417	2.5
69.07064	4.8
69.29052	22.9
70.06587	3.5
75.52773	1.9
79.05479	6.1
81.03434	9.7
81.07059	3.2
83.04989	65.4
91.05473	3.0
93.07039	8.3
95.04965	18.2
97.06538	32.3
98.97581	22.4
99.05586	7.3
104.87399	1.8
105.07039	3.7
107.04950	3.7
107.08608	8.2
110.07229	2.0
111.51011	2.2
113.38660	2.2
116.98624	34.2
119.08584	2.3
121.06563	3.5
121.10147	13.0
122.07188	2.2
125.05997	95.5
134.99669	59.9
135.11723	4.6
138.10146	2.5
139.09775	2.8
140.00185	8.3
145.10135	9.6
153.00714	18.1
158.01265	19.5
163.03922	3.5
163.11189	100.0
164.11676	3.3
176.02315	3.4
181.02896	4.5
181.04868	2.5
181.10777	4.5
181.12228	44.2
181.14577	3.4
200.74875	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.034
Annotation	Esculetin
Peak:m/z	Relative Intensity
51.02380	0.3
53.03939	0.4
55.01863	0.4
56.96562	0.4
57.07079	0.8
58.06244	0.2
61.55728	0.2
65.03934	0.2
67.05489	0.7
68.05038	0.2
70.84991	0.5
71.55228	0.1
77.03921	0.5
79.05496	0.4
81.03410	0.3
81.07022	0.2
81.38497	0.2
89.03924	1.5
91.05474	0.5
95.04974	0.8
95.06091	0.4
98.97596	1.1
105.03400	2.0
105.07021	0.3
107.04936	0.3
108.16460	0.2
109.02882	0.5
116.98615	0.9
117.03366	0.7
119.04955	0.6
119.08578	0.3
123.04429	30.9
124.04745	0.4
133.02853	21.3
133.10141	0.5
134.03128	0.4
134.99701	0.2
135.04424	3.6
137.08217	0.7
147.04434	0.9
151.03903	7.2
151.11197	0.2
152.08220	0.3
156.05374	0.2
158.99638	0.7
161.05966	0.6
161.09435	0.2
173.90195	0.2
177.00702	1.0
179.03395	100.0
179.35463	0.2
180.03761	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0339
Annotation	Unknow
Peak:m/z	Relative Intensity
52.91916	0.2
53.03944	0.3
54.00663	0.3
54.03465	0.2
55.01865	0.8
55.05519	0.3
55.25177	0.2
56.96550	0.5
57.03420	0.4
57.07071	0.3
65.03942	0.2
67.05486	1.0
68.05022	0.3
68.99787	0.5
69.03403	0.3
69.07055	0.7
69.52717	0.2
70.20167	1.0
70.67863	0.2
76.02203	0.4
77.03902	0.4
79.05487	0.8
81.03408	0.6
81.07037	1.1
83.04954	0.3
83.06084	0.6
84.92241	0.3
85.02914	0.3
89.03905	1.1
91.05486	1.4
93.07027	0.5
95.04978	1.6
95.06080	0.7
95.08607	1.2
96.05640	0.2
97.02894	0.6
105.03396	1.8
105.07036	2.0
107.04935	0.5
107.08547	0.6
108.04447	0.3
109.02885	0.6
109.06492	0.7
109.10133	0.5
110.07195	0.3
111.04433	0.6
111.05590	0.2
117.03365	0.7
119.04949	1.5
119.08581	1.1
120.08124	0.5
121.06484	0.3
121.10149	1.0
123.04432	24.3
123.08054	0.8
123.11712	0.2
124.04773	0.4
127.03889	0.3
133.02858	17.8
133.06468	1.0
133.10124	1.3
134.03206	0.3
135.04405	3.0
135.50386	0.3
137.05992	0.5
137.08224	1.3
137.09612	0.6
146.03604	0.3
147.00813	0.2
147.04425	2.8
151.02722	0.4
151.03908	6.5
151.05113	0.4
151.07535	0.3
152.08128	0.4
154.24872	0.2
155.03394	0.6
161.02338	0.3
161.06001	1.6
161.09593	0.6
161.13243	0.9
162.05414	0.3
168.06345	0.7
179.03398	100.0
179.09367	1.3
179.10707	1.2
179.14236	1.7
180.03746	2.2
191.07559	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.0864
Annotation	5-Hydroxytryptophol
Peak:m/z	Relative Intensity
54.62510	0.2
55.01897	0.5
55.05546	0.5
56.96598	0.4
67.05569	0.5
68.05053	0.4
70.57307	0.3
71.10264	0.9
79.05542	1.1
81.04626	0.4
81.07101	0.7
82.18322	0.3
83.06088	0.3
83.72556	0.2
88.02261	0.8
91.05483	1.9
92.05865	0.3
93.07088	1.1
94.07433	0.8
95.05016	0.7
95.06130	0.7
95.08649	0.7
98.07202	0.4
105.07050	1.6
106.06604	0.6
107.08631	0.6
108.05653	0.3
108.09002	0.3
109.07684	0.4
109.10191	0.3
110.07197	0.8
115.05457	4.5
116.04993	0.5
117.05776	3.0
118.06552	8.0
118.07333	0.5
118.96804	0.3
119.04929	1.7
119.08604	0.6
120.08151	1.3
121.06466	0.5
122.06053	0.3
122.10517	0.7
123.04440	0.5
123.08121	0.3
132.03561	0.4
132.04453	19.6
132.08089	33.8
133.04875	0.5
133.06511	0.9
133.08432	0.8
133.10152	1.1
134.99609	0.3
136.07591	0.4
137.06013	0.5
137.08234	1.3
140.04941	0.7
142.06516	9.0
145.05229	0.3
146.03613	1.0
147.04396	2.7
150.06383	0.4
150.09171	0.8
151.03815	0.4
151.09772	0.4
160.07579	100.0
161.05992	1.5
161.07967	2.3
161.09312	0.4
178.04961	1.2
178.08612	14.5
178.10847	1.3
178.13234	0.5
178.16748	0.5
179.03392	2.1
179.07091	1.4
179.09218	0.4
179.10687	0.8
179.14261	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	178.1227
Annotation	N-Pivaloylaniline
Peak:m/z	Relative Intensity
55.01868	0.3
55.05510	0.3
56.96568	0.6
66.74533	0.3
70.95834	0.7
80.05019	0.3
83.50266	0.2
84.43811	0.2
88.02179	0.4
91.05479	0.8
92.34095	0.2
93.05780	0.4
93.07058	0.3
105.07037	0.8
107.08575	0.5
115.05495	0.3
117.07031	1.2
118.06547	5.5
118.96777	0.4
119.07327	6.1
123.04420	0.5
132.08060	0.7
133.02846	0.4
133.06526	0.5
134.09651	46.4
135.09958	1.3
147.04404	0.7
160.11253	0.5
161.05898	0.3
162.07985	0.2
162.09128	1.6
163.09911	0.7
174.00769	0.4
178.05005	2.3
178.12267	100.0
179.03397	1.9
179.06889	0.4
179.09341	0.4
179.10910	0.4
179.12598	3.2
197.50006	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	177.1274
Annotation	11,12,13-Trinor-6,9-eremophiladien-8-one
Peak:m/z	Relative Intensity
50.28218	2.8
53.03937	4.3
55.01859	4.5
55.05514	27.1
56.96558	6.5
57.03433	9.3
57.07055	5.7
59.03481	2.8
59.05002	2.9
65.03899	3.2
67.05512	20.4
69.03419	9.9
69.06734	3.1
69.07076	35.5
69.94003	15.6
71.04982	10.9
79.05494	58.1
81.03413	3.4
81.07061	55.9
83.04982	6.7
83.08611	11.4
88.02190	6.2
89.03909	5.0
89.05395	2.7
91.05486	43.0
93.07047	100.0
95.04978	16.7
95.08608	35.5
97.06528	2.8
98.98475	20.7
103.05461	6.3
105.07027	36.6
107.04909	7.0
107.08601	81.1
109.06509	10.6
109.10145	6.4
115.05454	2.8
117.03387	10.0
117.07025	26.3
119.08596	18.4
121.02887	5.5
121.06521	23.7
121.10150	61.3
122.07291	3.3
129.06995	6.4
130.07777	5.8
131.01924	5.4
131.04948	4.0
131.08562	39.0
133.06470	2.7
133.10150	16.7
134.99652	3.6
135.04378	3.8
135.08069	14.6
135.11703	20.7
144.09315	6.6
145.02876	14.6
149.02322	33.6
149.05948	12.4
149.09608	9.1
149.13251	15.1
151.05054	2.9
157.10088	3.0
159.08018	10.9
159.11703	29.9
160.07498	2.8
177.05449	37.2
177.07011	4.4
177.07581	5.6
177.08928	16.4
177.11214	3.6
177.12753	65.8
177.16377	41.1
178.05011	6.2
178.08707	7.7
178.12177	3.7
186.05289	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	177.0071
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19307	0.2
54.98643	0.5
55.94081	0.2
56.96564	13.9
57.31090	0.2
57.96741	0.2
57.97334	0.3
58.99865	0.3
61.81464	0.2
65.49381	0.2
66.04340	0.3
68.76215	0.2
70.98225	0.3
71.52933	0.5
71.95262	1.9
77.00896	0.3
79.05457	0.3
87.05579	0.6
91.05479	0.4
93.07018	0.3
95.01958	0.2
95.08636	0.2
98.97585	86.0
99.97926	0.9
100.02473	0.6
101.00855	0.4
105.02142	0.3
105.07002	0.4
107.08625	0.3
112.24238	0.2
113.00867	0.7
116.00192	0.3
116.98621	100.0
117.98946	1.1
118.03518	0.6
118.99065	0.3
119.01916	1.5
120.01984	0.3
121.01650	0.7
121.10160	0.4
122.52805	0.4
131.01912	6.5
131.08527	0.4
134.01329	0.3
134.03009	0.7
134.99660	87.5
136.00008	1.0
136.02724	0.4
137.02922	0.6
139.02695	0.3
140.00166	2.7
145.02887	0.5
145.06784	0.8
145.56998	0.3
149.03065	1.5
152.02304	0.4
153.00708	17.6
153.04170	0.5
154.01073	0.5
154.03484	3.8
154.07347	0.9
158.01259	6.2
158.99644	0.3
159.01601	0.5
159.03188	0.3
159.11699	0.3
160.04494	0.5
172.04559	0.9
173.02861	0.4
176.02328	0.9
177.00728	3.4
177.02144	0.3
177.04053	1.4
177.09094	0.5
177.12682	0.4
181.02921	0.3
195.01736	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	177.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.5
53.33050	2.1
55.01860	5.3
55.05513	17.8
56.96549	6.5
57.03436	11.3
59.04988	5.2
59.06131	3.9
65.03919	3.9
67.05508	13.1
68.05019	2.6
69.03428	25.2
69.07063	25.0
70.78588	5.2
70.78923	2.2
71.05006	12.3
71.08633	20.7
79.05500	33.8
81.07056	44.4
83.04977	6.8
83.08614	16.9
85.06539	3.7
85.07612	2.3
87.05584	7.4
88.02209	2.7
89.03909	11.5
91.05479	39.2
93.06476	4.9
93.07046	78.3
95.04946	11.8
95.06068	3.4
95.08606	47.2
97.06490	3.3
97.07670	3.4
97.10140	5.3
98.97576	5.7
98.98476	23.6
99.08088	21.4
103.05455	8.8
105.07030	29.6
107.04942	9.8
107.08590	91.2
108.05581	2.3
109.06516	16.1
109.07640	4.4
109.10148	15.7
115.05463	3.9
116.06236	2.6
116.98617	4.4
117.03391	18.9
117.07008	11.5
117.08369	3.6
117.09125	40.8
119.04939	3.4
119.08576	20.1
120.08083	2.9
121.02869	6.3
121.06515	33.4
121.10136	100.0
122.07095	2.7
123.08092	3.3
129.07005	7.2
129.27257	2.2
130.28249	2.4
130.52533	2.3
131.04919	5.7
131.06851	3.7
131.08559	39.9
132.08054	2.5
133.10152	15.3
133.52043	3.0
134.03622	5.3
134.07086	3.1
134.99655	10.8
135.04390	5.4
135.08063	26.5
135.11694	33.1
136.08702	5.8
137.09489	3.7
141.09113	4.4
142.52481	2.4
144.09349	8.3
145.02820	24.0
147.08069	2.4
149.02333	30.0
149.05971	23.8
149.09653	16.3
149.13274	17.8
149.94537	4.4
150.06517	2.6
150.10228	3.1
152.96945	3.3
153.00714	2.7
154.03516	3.2
159.04413	3.7
159.08060	16.1
159.11684	40.3
160.08778	3.1
161.09619	3.6
162.03070	4.5
177.05466	45.1
177.07455	9.7
177.09024	37.8
177.11420	7.6
177.12749	98.5
177.16385	65.8
178.04909	4.4
178.08598	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05503	2.8
55.41874	0.7
63.44803	0.7
67.05497	1.5
68.24814	0.6
69.03430	1.2
69.06789	0.7
69.07076	9.2
69.51996	3.1
69.52429	3.0
79.05482	1.7
80.28281	0.7
81.07050	4.4
81.07452	0.8
83.08627	1.8
85.02911	1.6
91.05471	6.7
93.07031	3.6
94.64484	0.7
95.08589	3.3
97.02880	0.8
98.98473	9.8
103.05475	0.7
105.07037	19.4
107.08588	3.0
111.04436	0.8
117.07008	2.4
119.08585	49.7
129.07074	1.6
130.07802	0.7
131.08586	3.7
133.10132	50.2
134.10481	0.8
141.06926	0.7
142.07758	1.6
144.09410	0.9
145.10133	9.8
147.11684	20.0
151.93794	1.0
153.63312	0.7
157.10124	1.1
159.11661	3.9
160.12511	6.5
160.66469	0.7
161.04715	1.0
161.13217	2.2
173.13350	1.5
175.07495	1.5
175.11317	4.6
175.14827	100.0
176.07040	3.3
176.15176	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	176.0109
Annotation	Unknow
Peak:m/z	Relative Intensity
57.64149	0.5
65.87103	0.5
66.83461	0.5
71.59701	1.0
73.41351	0.6
85.06536	1.9
87.04491	0.7
112.57240	0.5
130.12296	4.6
132.02119	100.0
133.02470	1.4
150.03178	2.7
167.10248	0.6
176.01094	26.9
176.12827	4.8
183.26434	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	176.0232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77502	0.4
54.98643	0.6
56.96567	11.6
69.53219	1.7
69.53645	1.6
71.95264	1.6
88.51704	0.8
89.51565	4.1
90.01647	0.6
98.52129	0.6
98.97584	84.5
100.02478	0.9
101.02333	2.1
111.48314	0.7
116.01904	0.8
116.98621	100.0
117.98573	0.4
118.03523	1.6
119.01935	2.5
120.02011	0.7
120.48859	0.9
120.97926	0.5
121.01691	0.6
126.99133	1.8
128.99602	0.6
129.49352	5.3
130.49222	0.4
131.01923	2.2
131.02719	0.4
131.99603	2.5
134.01324	0.6
134.02966	7.1
134.04623	0.5
134.99658	84.6
135.99988	0.5
137.02931	1.3
137.98380	0.6
138.00067	2.1
138.03075	0.5
138.49883	25.9
138.99898	3.6
139.49727	1.9
140.00206	5.3
140.50322	0.9
141.00137	10.4
141.50194	1.6
141.96971	0.6
142.00131	0.9
147.50468	0.5
149.50874	3.7
150.00694	43.0
150.05962	0.5
150.50708	8.3
151.00562	3.4
152.02322	0.4
152.04015	0.7
152.50981	1.1
153.00710	16.8
153.47842	0.6
154.03503	1.6
157.01459	0.5
158.01251	9.8
158.03011	1.0
159.01367	0.7
161.50206	0.5
161.51509	3.6
161.57013	0.4
162.01559	1.6
162.51447	0.6
171.01414	1.4
172.04576	0.5
176.02322	6.3
176.04195	2.8
176.05890	0.8
176.07140	1.0
177.00810	1.6
194.03395	1.0
194.05144	0.6
195.01610	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03926	1.0
55.01871	1.1
55.05513	6.8
56.96558	2.0
57.03413	1.0
57.07076	1.4
61.91581	0.8
67.05502	3.7
69.03421	2.8
69.07068	15.5
69.75460	3.1
69.75871	1.9
70.06586	1.8
77.10907	0.8
79.05501	5.1
81.07056	12.7
83.04958	1.7
83.08632	4.1
85.02904	3.0
87.04479	1.0
91.05482	18.7
93.07041	6.7
95.04962	1.3
95.08596	8.3
97.02892	2.5
98.03656	1.1
98.20770	1.1
98.98468	22.3
103.05459	1.6
104.06239	0.9
105.07032	34.0
107.04937	1.3
107.08585	5.9
109.10178	1.0
111.04449	2.1
115.03934	1.6
115.05453	3.0
117.07035	5.3
119.08583	81.9
120.08909	1.4
121.06506	1.6
121.10151	3.5
125.02356	0.8
127.03927	1.5
128.06230	1.8
129.07001	5.9
130.06544	3.8
131.08574	7.6
132.95705	0.8
133.06480	2.5
133.10129	80.6
134.10458	2.3
135.07945	1.3
142.07751	3.1
145.06468	1.7
145.10100	6.1
146.10869	1.5
147.08084	3.9
147.10512	0.9
147.11688	16.9
148.07597	1.1
157.06493	1.5
157.10114	4.7
158.06001	1.1
160.05194	3.2
160.08835	2.9
160.12463	2.5
161.04599	1.1
173.13304	2.4
175.02681	1.8
175.03990	1.4
175.06088	1.3
175.07518	22.4
175.09882	1.3
175.11186	20.0
175.14828	100.0
176.06969	6.2
176.15158	3.8
193.03798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05512	6.6
55.97931	0.7
65.03938	0.8
67.05514	4.3
68.89765	0.6
69.03406	0.9
69.07068	13.2
69.54897	5.5
69.55311	0.9
70.06583	0.8
79.05487	4.2
81.07055	18.6
83.08612	2.9
89.28225	0.7
91.05483	12.0
93.07037	7.9
95.08602	11.7
98.98456	4.5
105.07032	34.5
106.07395	0.8
107.08590	8.7
108.72131	0.8
109.10181	1.0
111.95866	0.7
117.07011	2.8
119.08581	100.0
120.08918	2.2
121.10146	3.2
129.06949	1.6
130.06509	2.1
131.08559	4.2
133.10133	58.0
134.10513	1.2
136.19260	0.7
142.07748	0.9
145.10124	4.0
146.10876	1.1
146.24141	0.8
147.08081	0.7
147.11697	15.6
156.77014	0.8
157.10109	1.3
160.12434	2.2
173.13252	1.6
175.07539	3.1
175.11278	6.6
175.14824	80.0
176.07072	2.3
176.15167	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	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59204	0.6
53.96200	0.7
55.05513	6.7
55.92143	0.6
56.10308	0.6
56.60689	0.7
57.07065	1.2
59.71220	0.8
67.05487	1.9
69.07069	18.3
69.42248	7.2
73.83505	0.7
76.77375	0.7
79.05473	2.3
81.07055	4.5
83.08607	4.2
91.05471	5.0
93.07030	1.9
94.17856	0.7
95.08611	5.2
95.83918	0.6
98.20683	1.5
105.07032	20.3
107.08619	5.0
117.07011	2.6
119.08577	73.4
120.08881	1.6
121.10153	2.5
131.08562	3.1
133.10124	62.8
134.10440	1.9
145.10123	4.5
145.27242	0.9
147.11688	8.7
160.12480	3.2
173.13286	2.0
175.14819	100.0
176.15115	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	175.1481
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05506	6.5
57.02211	1.2
65.00618	1.0
69.07070	18.7
69.59850	1.2
70.12142	1.0
70.26665	3.4
79.05454	2.3
81.07045	4.9
83.08614	3.8
91.05498	6.2
93.07056	2.3
93.43848	1.0
95.08598	4.0
98.98450	2.3
105.07041	18.3
107.08595	4.5
117.06982	2.7
117.24718	1.0
119.08585	70.7
121.10124	1.4
126.98589	1.1
129.07076	1.2
131.08569	4.2
133.10132	60.8
134.10449	1.5
135.11705	1.3
145.10092	6.0
147.11684	9.5
159.11552	1.3
160.12489	3.5
173.13286	2.2
175.11307	2.8
175.14825	100.0
176.15175	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	175.1483
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05512	7.7
56.96566	1.5
57.03426	0.7
57.07070	0.8
66.33747	0.5
67.05511	2.7
69.03411	0.6
69.07066	18.8
69.96060	0.9
69.96474	1.9
73.02917	0.8
79.05492	3.0
80.41748	0.5
81.07058	8.5
83.04961	0.5
83.08620	3.6
85.02914	0.6
91.05482	9.5
93.07056	4.4
95.08605	4.8
97.02884	1.0
98.97591	1.0
98.98471	7.0
100.01867	0.6
103.05444	0.7
105.07029	24.0
106.07357	0.6
107.08604	5.2
110.97604	0.5
115.05458	1.0
116.98600	1.0
117.07021	2.9
117.51802	0.6
119.08582	67.6
120.08915	1.4
121.10156	2.3
122.45894	0.5
128.98640	1.1
129.06989	2.2
130.06544	1.3
131.08565	3.2
132.04442	0.8
132.09213	0.6
133.10129	52.8
134.10483	1.6
134.99669	0.7
135.07971	0.6
145.10132	5.0
146.10902	1.0
146.99641	0.9
147.08086	1.0
147.11690	9.5
150.96841	0.7
157.10126	1.2
159.11647	0.6
160.05191	0.6
160.12459	2.3
173.13284	1.9
175.07587	2.7
175.11455	4.2
175.14825	100.0
176.07077	1.5
176.15215	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	175.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97411	0.7
55.05299	0.7
55.05509	7.4
57.03401	0.8
57.07059	1.3
65.03942	0.7
65.49654	0.7
67.05503	3.8
69.03425	1.6
69.07066	15.1
70.06602	0.9
70.98182	1.6
79.05484	5.0
81.07058	12.2
83.04961	1.7
83.08614	3.8
85.02902	2.6
87.04472	1.0
91.05479	16.6
93.07043	6.2
95.04968	1.4
95.08606	9.2
96.97991	0.8
97.02895	2.0
98.98460	18.5
103.05487	1.0
105.07027	36.9
105.70264	0.9
106.07350	1.0
107.04953	1.8
107.08585	7.2
111.04447	1.6
112.07600	0.9
115.03896	1.5
115.05461	2.4
116.99493	1.0
117.07008	4.1
119.08578	82.8
120.08868	1.6
121.06493	1.2
121.10152	3.5
125.02359	0.7
127.03880	0.9
128.06229	1.5
129.07059	3.9
130.06520	9.6
131.08585	6.0
132.04404	1.3
132.05685	1.9
133.02864	1.3
133.06468	2.6
133.10126	76.4
134.07123	0.9
134.10469	2.0
135.11699	0.9
142.07750	2.7
145.06506	1.4
145.10107	6.3
146.10930	1.3
147.04425	0.9
147.08055	3.1
147.11690	16.3
148.07501	1.1
148.08665	1.0
148.11964	0.9
152.66817	0.7
156.91321	0.8
157.10167	4.8
158.06020	3.4
160.05200	3.1
160.08739	1.2
160.12445	2.8
161.04694	1.1
173.13260	2.4
175.04019	0.9
175.07530	11.3
175.11185	17.4
175.14824	100.0
176.07019	6.4
176.15205	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	175.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.2
55.01869	1.0
55.05511	8.9
56.96563	2.0
57.03448	0.6
57.07065	0.7
61.02882	0.6
63.02379	0.6
65.03934	3.4
67.05505	4.6
69.03422	1.5
69.07067	12.0
70.06586	1.4
71.04981	0.9
71.60365	0.6
71.60779	0.8
72.08161	0.9
74.23754	0.5
74.69983	0.5
77.03923	0.7
77.59789	0.5
79.05489	4.9
81.07054	18.2
83.04980	1.3
83.08619	4.9
85.02917	2.9
86.08434	0.7
87.04438	1.0
89.03930	3.1
91.05482	40.8
92.05820	1.4
93.07039	9.6
93.29578	0.5
95.04978	2.9
95.08607	11.5
97.02901	2.2
98.98464	17.5
103.05451	1.2
104.46196	0.5
105.03426	0.8
105.07031	45.0
106.07320	0.7
107.04977	1.3
107.06078	0.8
107.08590	9.8
111.04469	1.6
111.08080	1.1
115.03963	1.4
115.05457	3.8
116.97302	0.6
116.99541	0.9
117.07012	5.5
119.04948	16.9
119.08581	87.8
120.08157	0.8
120.08937	2.2
121.06502	1.1
121.10160	2.8
125.02412	0.7
127.03898	0.9
128.06213	1.5
129.06998	5.2
130.06517	3.2
131.04984	0.8
131.08562	8.5
132.02083	0.7
132.05692	1.5
132.09355	0.8
132.95822	0.9
133.06458	1.1
133.10132	70.2
134.07140	1.6
134.10500	2.1
134.99654	1.2
135.04468	0.7
135.07936	1.0
142.07755	2.0
143.04974	0.8
145.06546	0.6
145.10120	4.3
146.10902	2.4
147.04413	9.9
147.08054	3.6
147.09088	0.5
147.11691	19.0
148.07614	1.1
148.08687	1.1
148.11928	0.6
150.03146	0.9
150.96884	1.2
151.93886	0.9
157.03973	1.1
157.10120	3.6
158.06065	1.4
160.05241	5.6
160.08812	1.1
160.12503	1.9
161.04736	0.9
173.13249	2.0
175.03871	4.0
175.07506	13.7
175.09851	1.4
175.11192	12.1
175.14824	100.0
176.06978	3.9
176.10516	0.6
176.15260	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	175.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.7
55.01865	6.7
55.05508	8.0
56.52785	1.5
56.96565	4.6
57.03437	4.3
59.05000	2.1
67.05502	11.8
69.03420	5.0
69.06779	1.3
69.07077	14.1
70.06603	2.9
71.60409	1.9
72.30239	1.5
79.05508	12.8
81.07057	11.8
83.04964	4.8
83.08606	5.5
85.02891	6.5
87.04467	2.8
91.05482	82.0
93.07070	11.4
95.04974	5.2
95.08610	7.2
97.02887	6.8
97.06516	2.7
98.98468	53.7
103.05467	1.8
105.03439	2.2
105.07034	51.4
107.04945	6.1
107.08585	5.7
109.06501	2.3
111.04457	2.6
115.03939	2.5
115.05426	6.2
116.06277	2.7
116.07055	2.4
116.99503	2.9
117.07049	8.3
118.07748	1.7
119.04945	2.4
119.08588	82.2
121.06465	2.7
121.10108	2.4
127.03954	2.6
127.63015	1.6
128.06223	3.6
129.07007	36.9
130.06512	3.6
131.07149	2.0
131.07535	2.8
131.08563	41.8
131.09523	2.9
133.06508	10.4
133.10146	64.5
139.03952	1.8
142.07784	14.3
145.10147	5.2
147.04422	3.5
147.08025	8.6
147.11700	22.9
151.93903	5.1
152.05882	1.8
154.27307	1.8
157.06520	4.9
157.10132	42.5
158.10442	1.7
160.12434	2.4
175.03899	2.5
175.07567	17.1
175.11191	100.0
175.14819	78.9
175.28403	1.7
176.07027	12.0
176.11623	2.8
176.15359	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	175.1482
Annotation	Ionene
Peak:m/z	Relative Intensity
53.03913	0.6
54.28182	0.6
55.05503	6.8
56.13688	0.7
56.96581	0.9
57.03426	0.8
57.07055	1.1
67.05487	1.9
69.03413	1.1
69.07065	17.8
69.65828	4.0
70.06606	0.9
72.08142	3.0
79.05465	2.0
81.07044	6.2
83.08614	3.8
85.02883	1.2
86.39951	0.6
91.05480	8.6
93.07060	3.0
95.04985	0.7
95.08607	4.5
97.02884	1.6
98.20744	1.1
98.98463	7.2
103.05438	1.0
105.07025	23.2
107.08580	5.4
115.05432	1.3
116.06180	0.6
117.07006	2.1
119.08576	71.4
120.08901	1.1
121.06482	1.1
121.10120	2.2
122.78339	0.5
129.06989	1.9
130.06563	1.7
131.08577	3.9
132.05746	0.7
132.09308	0.9
132.95845	0.8
133.06471	1.3
133.10121	60.9
134.10437	1.9
134.99582	0.7
135.11736	0.7
142.07777	1.1
145.10112	5.7
146.10858	1.4
147.08032	1.2
147.11674	10.7
151.65208	0.6
157.10133	1.3
158.06015	1.1
160.05191	1.5
160.08830	1.4
160.12457	2.7
173.13257	2.5
175.03885	1.5
175.06015	1.4
175.07454	3.6
175.11272	7.7
175.14816	100.0
176.07074	2.3
176.15140	2.8
191.68686	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
55.01852	2.1
55.05498	5.1
56.96566	18.1
57.03439	100.0
57.07076	2.9
60.05643	1.8
67.05493	5.2
69.03422	5.0
69.07058	5.9
70.06580	3.0
70.65496	3.5
70.65862	3.5
71.87524	1.3
75.09652	1.4
79.05488	5.1
81.07072	8.2
83.04989	1.8
83.08627	2.2
85.02897	3.7
86.49551	1.5
87.04460	2.1
90.01521	2.4
91.05470	17.8
92.90080	3.2
93.07037	5.1
95.04990	1.9
95.08586	4.8
97.02917	4.1
97.20663	1.5
98.98468	53.6
105.07039	22.2
107.04961	2.4
107.08601	5.5
115.03918	4.6
116.99516	4.6
117.07021	6.0
119.08582	68.2
122.03154	1.7
127.03934	3.3
129.05608	2.8
129.07002	5.2
130.06551	2.5
131.08562	5.8
131.18965	1.4
133.06479	6.0
133.10123	25.6
139.03905	1.8
142.07796	7.2
143.05397	5.8
147.04454	2.4
147.08054	6.1
147.11700	11.5
151.93837	2.3
152.05951	8.7
157.10153	8.7
160.08791	2.8
161.01210	2.3
161.04736	3.0
161.06439	4.9
163.56718	5.1
164.06837	1.6
174.95464	1.6
175.07498	12.8
175.11180	60.6
175.14813	27.7
176.07062	11.4
192.43298	1.5
193.03720	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	175.1118
Annotation	4,7-Dimethyl-1-tetralone
Peak:m/z	Relative Intensity
53.03940	0.9
55.01859	1.2
55.05515	4.3
56.96547	0.6
57.03437	26.0
65.03926	1.3
67.05166	0.7
67.05505	10.9
69.03429	2.6
69.07064	2.7
70.77732	0.4
71.61111	0.7
79.05122	0.4
79.05491	4.6
81.03421	0.7
81.07056	2.6
83.04952	0.8
85.02895	1.0
87.04477	0.6
91.05479	16.8
93.07044	2.6
95.04968	14.0
97.02888	0.9
98.03679	0.5
98.97855	0.8
98.98465	13.1
103.05457	1.1
105.07028	26.5
107.04951	6.5
107.08582	1.6
115.03922	1.0
115.05451	1.5
116.06224	0.7
117.07021	4.5
119.04960	1.2
119.08582	59.4
120.08888	1.7
121.06497	3.6
126.51608	0.4
128.06232	2.1
129.07016	6.2
130.07770	0.5
131.04958	3.1
131.08566	3.8
132.05696	2.0
132.09299	0.5
133.06494	23.8
133.10130	14.0
135.08023	1.4
141.07001	0.8
142.07771	9.7
145.06482	6.5
145.10149	2.6
146.07271	25.0
147.08052	58.8
147.11691	20.9
148.08372	1.3
151.93901	0.4
157.07619	1.1
157.10127	9.7
160.08850	7.1
160.12360	0.5
161.04803	0.6
173.09650	0.7
175.07700	2.6
175.11186	100.0
175.14751	13.0
176.07045	1.7
176.11575	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	173.1537
Annotation	Isoamyl isovalerate
Peak:m/z	Relative Intensity
52.18686	0.7
55.05513	8.6
56.96566	3.7
57.03442	1.1
57.07069	1.4
59.04990	4.4
62.87102	0.8
66.76215	0.7
67.05499	1.5
69.07068	11.7
69.16965	0.7
70.44454	0.8
70.75220	2.3
71.08631	100.0
72.08955	1.9
72.93037	0.7
72.93777	3.2
79.93285	0.7
80.06175	0.9
81.07061	3.0
83.04968	5.2
85.06547	1.0
90.94837	1.8
91.05482	2.4
96.25272	0.8
97.02892	1.1
99.04469	0.9
99.08094	68.3
100.08462	1.1
101.06030	5.2
105.07031	1.4
108.95885	1.3
111.04442	8.2
113.05945	1.0
114.05495	1.1
117.07023	2.3
120.18950	0.7
123.65779	0.7
127.07584	1.0
129.05507	3.9
129.06984	1.1
129.12761	5.9
130.07767	0.9
131.08571	9.0
132.06496	1.0
137.05392	2.4
142.04678	1.9
143.08572	2.8
144.09319	1.1
145.06485	1.0
145.10126	5.5
149.94017	1.1
149.96077	0.9
151.05174	2.0
155.07025	5.7
155.14299	1.3
158.10890	3.6
160.05685	1.0
167.97206	1.7
173.08180	10.0
173.09691	2.7
173.13251	13.8
174.05531	0.9
192.42090	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
51.11628	0.4
55.05504	3.2
55.61373	0.4
57.07047	0.5
59.04988	0.6
67.05521	2.5
69.03396	0.6
69.98908	2.9
70.95853	0.6
71.04999	0.6
72.93784	2.1
79.05486	1.3
81.07057	2.6
83.04980	3.5
90.94815	1.6
91.05484	6.9
93.07033	1.0
95.08613	1.4
97.06604	0.6
101.06002	2.6
105.07028	8.2
108.95864	0.7
109.10133	0.9
111.04449	5.1
113.05995	0.5
115.05455	0.8
116.06234	1.4
117.06989	3.2
119.07797	1.0
119.08585	9.8
128.06210	1.1
129.05464	1.8
129.07019	5.8
130.07774	2.5
131.08569	55.4
131.97455	0.7
132.08894	1.5
133.10120	2.1
142.07893	0.7
143.08562	14.5
144.09332	5.6
145.06453	0.6
145.10124	20.3
150.96875	1.2
155.07019	3.0
156.09323	1.4
157.10117	0.9
158.10910	26.8
167.97174	1.1
171.11699	2.2
173.08220	4.9
173.13261	100.0
173.98430	0.5
174.07613	0.6
174.13599	2.3
178.98619	0.6
180.55426	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21608	0.4
53.03936	0.6
55.01855	0.6
55.05265	0.6
55.05513	9.0
56.96563	1.1
57.03436	0.8
57.07067	0.8
59.05000	1.6
59.06111	0.8
60.04525	0.6
65.03936	1.0
67.05510	4.6
69.03432	1.0
69.07075	1.0
70.06598	0.6
70.95013	0.9
70.95853	1.0
71.04989	1.0
72.04491	0.5
72.08153	1.1
72.93790	6.6
77.70159	0.5
79.05505	2.4
81.07064	4.4
83.04979	8.7
84.04519	0.8
85.02924	0.6
85.06525	1.9
86.06048	0.6
86.09711	1.0
87.04453	1.1
87.05593	1.7
89.02386	0.8
90.90397	0.7
90.94826	5.1
91.05481	9.5
93.07043	1.3
93.18478	0.5
95.04978	0.6
95.08616	3.5
95.86707	0.5
97.06541	0.7
98.86638	0.4
98.98484	0.6
99.04449	1.2
100.07632	0.4
101.06021	6.7
105.07030	9.3
108.95875	2.4
109.06538	0.6
109.10172	1.6
111.04453	10.4
111.98489	0.9
113.02427	0.5
113.05997	1.3
113.07130	0.7
113.77928	0.4
113.96403	1.3
114.05554	0.6
115.05457	1.8
116.06223	1.5
117.07032	4.7
119.08585	11.3
127.04037	0.5
127.07538	1.7
128.06207	2.2
128.07048	0.6
128.10725	0.7
129.05501	5.6
129.06998	7.4
130.07796	2.9
131.08571	45.5
131.97430	1.2
132.08919	0.9
132.95856	1.0
133.10150	2.8
137.09648	1.4
141.52260	0.4
142.07774	1.1
143.08563	21.2
144.09354	6.4
145.06491	1.3
145.10127	23.2
146.05998	1.1
146.10466	0.4
149.94084	1.0
149.96104	2.1
149.97211	0.7
150.96873	3.9
155.07028	9.2
155.08273	0.7
155.10681	0.9
155.97440	1.0
156.09355	1.4
156.11354	1.0
157.10143	1.5
158.10918	30.6
159.11258	0.6
167.97159	3.7
171.11647	2.4
172.97704	0.6
173.05914	1.0
173.08147	17.4
173.13266	100.0
173.98485	1.7
174.05501	1.5
174.07632	0.7
174.13808	2.2
190.84300	0.4
193.91386	0.5
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
55.05512	6.2
57.03433	1.0
57.07069	1.0
59.04984	1.2
59.37141	0.5
67.05490	2.5
69.03420	0.9
69.07059	1.0
71.04971	0.7
72.93762	1.2
76.02225	0.7
79.05479	2.0
81.03407	0.8
81.07059	3.4
83.04978	7.3
85.02892	0.6
86.06095	0.5
87.04456	0.8
89.02419	0.7
89.80127	0.5
90.90405	1.2
90.94810	1.1
91.04953	1.0
91.05473	9.5
93.07035	1.0
95.04968	1.0
96.04503	1.0
99.04436	1.4
101.06021	6.2
103.03288	0.8
105.07025	10.9
107.08660	0.7
111.04442	7.5
114.05536	1.0
115.05456	2.1
116.06251	2.6
117.07020	10.0
118.06589	1.0
119.08582	11.4
127.07607	0.7
128.06245	1.7
128.07076	0.8
129.05493	5.8
129.06998	9.8
130.07838	3.5
131.08569	64.5
132.08896	1.5
133.10123	1.6
137.05960	0.7
142.07779	0.7
143.08559	17.9
143.09691	0.9
144.09354	8.9
145.06519	1.1
145.10120	33.3
146.08101	0.8
146.10461	1.1
146.23698	0.5
149.94058	0.9
155.07043	7.4
155.08307	0.9
155.88214	0.6
156.09373	1.3
157.10156	1.3
158.07191	1.5
158.10916	24.6
158.12233	1.2
162.00606	0.7
167.97116	0.6
171.11723	1.7
173.04440	2.0
173.08159	13.4
173.09651	7.8
173.13260	100.0
174.05502	1.0
174.07625	0.8
174.13588	2.1
193.77454	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.138
Annotation	2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol
Peak:m/z	Relative Intensity
53.03930	1.4
55.01871	10.5
55.05266	1.3
55.05511	20.5
56.96560	2.5
57.03437	49.4
57.07073	1.7
59.05001	1.2
59.06112	1.0
67.05503	35.2
68.99789	0.9
69.03422	2.5
69.07068	49.4
70.06618	0.8
70.07402	0.8
71.05001	5.3
71.15049	1.3
71.15370	1.2
72.04517	9.6
72.08154	2.0
73.02898	1.2
73.06542	2.8
79.05493	3.8
79.79404	0.8
81.07054	14.2
83.04980	19.5
83.08619	24.0
85.02912	1.7
85.06562	3.6
85.07656	1.0
89.07156	6.6
91.05510	1.3
93.07028	5.6
95.04955	1.9
95.08602	6.7
97.06529	12.5
97.10181	0.8
98.97559	0.9
99.04460	1.0
99.08089	1.3
101.06023	1.9
107.08600	9.5
109.06523	1.7
109.10154	100.0
110.01273	1.3
110.10450	2.2
111.04443	3.0
111.08080	13.0
111.08827	0.9
111.09211	2.0
119.01856	1.7
123.11648	1.1
125.09641	1.9
126.01522	1.0
126.05460	1.0
127.03964	1.1
127.11192	30.8
128.02313	2.3
128.06233	2.9
129.07016	0.8
135.11682	5.8
137.02753	1.2
137.80594	0.7
139.03909	1.9
141.12770	1.0
143.08524	2.4
148.97693	0.9
149.01790	1.6
153.05495	0.9
153.09119	1.7
153.12733	12.4
153.13933	0.8
154.13338	1.2
156.09373	5.4
159.04381	1.1
171.05492	2.1
171.08080	2.1
171.10330	1.3
171.11664	6.7
171.13741	3.1
171.14989	7.3
172.09688	1.6
172.11098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.1326
Annotation	1,1,5-trimethyl-1,2-dihydronaphthalene
Peak:m/z	Relative Intensity
53.03946	0.2
55.05507	2.8
56.96576	0.3
57.03442	0.4
57.07071	0.7
57.52392	0.2
59.04993	0.4
67.05504	1.7
68.06733	0.2
71.59279	0.2
72.93784	0.6
74.06079	0.3
79.05498	1.0
81.03452	0.2
81.07053	1.7
83.04976	3.0
88.07606	0.5
89.02403	0.4
89.07955	0.4
90.90365	1.1
90.94817	0.5
91.05473	6.9
93.07027	0.5
95.04961	0.3
95.08610	0.4
97.02865	0.4
100.02466	0.3
101.05994	1.8
102.09185	0.4
103.05462	0.4
105.07027	7.8
111.04437	2.9
113.06050	0.3
113.85972	0.2
114.05553	0.5
115.05451	1.5
115.70241	0.2
116.06230	1.5
117.07011	4.5
119.08578	8.8
124.02862	0.2
127.07536	0.3
128.06213	1.4
128.07051	0.3
129.05540	2.0
129.07004	6.2
129.07912	0.5
130.07808	2.3
131.08563	61.8
131.93010	0.3
132.08865	1.1
133.10129	1.9
142.07758	1.2
143.08553	17.0
144.09357	5.5
145.06483	0.6
145.10117	20.6
146.08163	0.3
146.10498	0.4
149.94051	1.7
155.07030	2.2
155.08554	0.8
156.09364	1.4
157.10097	1.2
158.07364	1.4
158.10907	29.1
158.99165	0.2
159.11690	2.3
167.95105	0.3
171.11713	1.7
172.95686	0.4
173.04468	0.9
173.08125	4.8
173.09645	5.4
173.13254	100.0
173.17279	4.0
174.05440	0.5
174.07588	0.5
174.13669	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	170.0561
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	2.1
55.05512	1.5
55.93499	1.0
56.05040	1.7
56.05241	0.3
56.96568	5.5
57.03428	0.8
57.04539	0.4
57.07056	0.3
58.06577	1.0
59.06103	0.9
60.04493	1.1
61.04037	0.3
65.03947	0.4
66.21642	0.3
67.05486	0.8
68.01386	3.5
68.05029	1.6
68.05837	0.3
68.99760	0.3
69.03433	1.9
69.04558	0.5
69.07049	1.0
70.06595	2.0
70.94232	0.6
71.04979	0.4
71.06078	0.4
71.60069	0.6
71.60440	0.3
72.04527	2.4
72.08138	1.4
72.93764	1.1
74.06074	0.8
75.05571	0.4
79.05476	1.2
80.05000	0.6
81.03394	0.8
81.04530	0.4
81.07041	1.3
82.06562	1.6
83.01319	0.4
83.04973	0.6
83.06095	1.9
83.08597	0.7
84.04510	2.4
84.08132	1.4
85.02894	1.1
85.04028	21.3
85.07649	0.7
86.06067	2.6
86.09689	0.6
87.04462	0.5
87.05583	0.5
88.07611	0.9
88.96889	0.5
89.07135	0.9
89.96400	0.4
90.94834	0.7
91.05431	0.3
92.04984	1.0
93.04527	0.4
93.05773	1.2
93.07035	0.5
94.06550	1.3
95.04975	0.9
95.06075	1.3
95.08589	0.4
96.04464	1.1
96.06855	0.4
96.08123	1.9
96.08907	0.3
97.02902	0.7
97.03992	0.6
97.06543	0.8
97.07667	1.6
97.99207	0.4
98.06048	1.4
98.97588	0.7
99.04414	0.4
99.05576	0.8
99.09206	0.7
100.07614	0.7
106.06565	0.4
107.04957	0.6
107.08605	0.6
108.08160	0.3
108.08900	0.3
109.02879	0.9
109.06493	0.4
109.07642	1.6
110.03198	0.4
110.06045	2.7
110.07154	1.0
111.01956	1.7
111.04440	0.9
111.05570	1.1
111.08031	0.4
111.09211	2.2
112.01201	0.5
112.05008	0.3
112.07605	3.3
113.07066	0.3
113.96369	0.4
114.09173	0.5
116.98636	0.9
122.06163	0.3
122.07141	0.9
122.52839	0.5
123.05552	0.5
123.09206	0.4
124.04889	0.5
124.07602	3.9
124.08537	0.5
124.11217	0.4
124.12083	0.4
125.06056	0.7
125.07124	1.8
125.07909	0.3
126.05518	0.5
126.10270	0.4
127.04039	0.3
127.05013	0.4
127.08644	1.4
128.04565	100.0
128.95117	1.7
128.98589	1.0
129.02974	0.8
129.03998	0.3
129.04916	1.1
129.06624	0.5
130.08670	1.7
131.53368	0.5
131.97437	0.5
134.06041	0.5
134.99664	0.7
135.04474	0.5
135.05531	0.4
135.09169	0.3
136.06192	0.3
138.05502	0.3
139.00296	1.8
140.03546	0.3
140.08151	0.3
141.96950	0.3
142.05830	1.7
142.08627	3.2
143.08247	0.5
146.96162	3.8
146.97339	0.5
146.99702	1.7
147.96910	1.3
152.04523	0.7
152.07069	2.8
152.08211	1.1
153.01855	0.5
153.05472	0.6
153.06583	0.6
153.10191	2.4
155.08119	0.8
156.03326	0.4
157.01334	4.3
158.06551	1.2
165.00780	0.4
165.97949	1.8
166.00262	0.4
170.04201	0.5
170.05647	10.2
170.08130	4.4
170.09599	6.1
170.11794	0.7
170.12967	1.7
170.15337	0.7
171.02945	1.0
171.11404	0.5
171.14984	1.0
174.04404	1.4
177.00714	0.4
186.04431	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1224
Annotation	Crocusatin C
Peak:m/z	Relative Intensity
53.03937	2.0
54.03450	1.1
54.22649	0.8
55.01863	3.3
55.05505	6.9
56.05016	1.3
56.96548	4.1
57.03438	1.9
57.07077	11.4
59.04993	2.8
59.06118	2.4
65.03929	3.2
67.05505	20.2
68.05025	0.9
68.99773	2.4
69.03425	4.8
69.04544	0.8
69.07066	7.6
70.02901	0.8
70.06569	2.4
71.04992	6.2
71.08625	1.3
71.59116	1.3
72.08157	1.8
74.48376	0.8
79.05485	4.4
81.03423	9.8
81.07055	24.2
83.04968	3.1
83.06103	2.5
83.08610	6.7
84.08105	1.0
85.02895	3.3
85.06532	4.1
85.07661	1.6
85.10205	1.6
86.08429	1.1
91.05472	3.4
93.07040	9.9
95.04973	6.9
95.08604	11.8
96.08143	1.2
97.02944	1.3
97.06518	2.5
98.03657	1.0
99.04469	4.7
99.08083	1.2
105.07038	4.8
107.08607	9.5
109.02884	14.2
109.06513	6.2
109.07653	2.8
109.10153	84.5
110.06044	1.7
110.07147	2.5
110.10486	2.1
111.00797	10.9
111.04458	5.7
111.08080	100.0
111.09174	7.7
112.08397	2.2
113.05984	3.9
123.04438	2.6
123.08064	6.8
123.11710	15.8
124.01517	1.0
124.04667	2.1
124.07613	2.0
124.08678	1.7
125.06044	1.9
125.07096	1.1
125.09663	2.2
126.03140	17.9
126.10240	1.5
127.03904	2.2
127.11191	94.4
128.11504	2.4
128.95076	1.7
133.02835	1.0
133.05164	2.0
133.10132	3.9
137.02332	3.2
139.11215	1.0
141.05461	53.4
142.05743	1.7
142.08624	2.6
146.96133	2.3
151.03883	2.4
151.07558	2.0
151.11171	8.5
152.07050	2.1
152.08171	1.1
153.70361	0.9
154.02620	1.3
154.07777	2.8
169.04958	24.1
169.06256	1.0
169.07404	1.5
169.08598	3.1
169.10034	4.3
169.12231	22.2
170.08098	4.0
170.09633	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	168.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	1.8
55.01873	1.8
55.05515	4.4
56.05025	2.5
56.96563	2.3
57.03432	1.8
57.04577	0.5
57.07065	0.9
58.06591	1.3
59.04983	0.6
59.06119	1.9
60.04526	0.7
65.03934	1.4
67.05505	7.6
67.93556	0.7
68.05010	2.8
68.99795	1.2
69.03419	2.2
69.04547	0.7
69.07070	4.9
69.60409	3.4
70.06591	100.0
70.47168	0.5
71.04993	2.1
71.06916	1.9
71.07305	0.6
72.04510	0.6
72.08161	1.7
79.05489	4.7
80.05009	2.0
81.03416	4.9
81.04536	1.7
81.07052	20.4
82.05319	0.4
82.06590	3.0
82.07396	1.2
83.04990	2.5
83.06097	3.1
84.04503	1.1
84.08142	2.5
85.02888	1.3
85.04066	0.6
85.06536	0.8
85.07687	1.0
86.06064	1.5
86.08469	0.9
91.05481	15.1
91.82030	0.5
92.05817	0.7
93.07048	3.9
94.06571	3.1
94.07382	1.2
95.04967	3.5
95.06084	1.2
95.06885	0.5
95.08607	3.8
96.04491	0.8
96.06853	0.5
96.08146	1.5
96.08897	0.4
97.02896	1.0
97.06512	1.9
97.07671	3.8
98.03665	0.6
98.06052	1.6
98.20744	0.9
99.04445	1.5
99.05586	0.9
99.09154	0.5
102.94855	0.6
105.07026	3.3
106.06583	0.6
106.07378	0.5
107.04927	0.5
107.06080	0.5
107.08577	3.5
108.04465	2.0
108.08122	1.0
108.08913	1.6
109.02883	11.1
109.06503	5.7
109.07647	9.3
109.10155	2.3
110.06067	2.3
110.06734	0.5
110.07202	0.8
110.08479	0.7
111.00784	4.0
111.04471	2.9
111.05547	1.3
111.08089	0.9
111.09215	4.7
112.07597	1.2
113.05989	0.5
113.07135	0.8
121.07596	0.8
121.10134	1.0
122.06009	2.9
122.07129	1.0
122.09655	1.7
122.10483	2.1
123.04433	1.8
123.05525	0.6
123.08144	2.6
123.09181	2.4
123.09988	0.5
123.11706	4.8
124.03903	1.0
124.04692	1.1
124.07587	0.8
124.08618	1.2
125.06008	1.8
125.07122	1.6
125.08231	0.5
125.09658	0.4
125.10809	0.5
126.03119	8.3
126.05505	2.8
126.06595	1.9
126.10278	2.6
127.03941	2.3
127.07548	0.7
127.08605	0.8
128.09460	0.6
133.02885	0.9
133.06549	0.5
133.07552	0.6
133.10117	2.9
136.11244	0.8
138.10229	0.7
140.03290	0.6
140.07039	1.9
141.05470	23.5
141.10211	0.6
143.97426	0.5
144.95844	0.6
144.98192	0.7
145.03477	0.7
150.05463	3.0
150.06569	0.9
150.09087	1.0
150.10164	1.6
150.12750	1.9
151.03905	1.7
151.07588	0.9
151.08650	2.1
151.11252	5.5
152.08217	1.0
152.11845	0.7
154.02591	1.5
168.06444	4.6
168.07794	0.9
168.10135	1.4
168.11520	5.2
168.13828	30.1
169.04964	12.0
169.07370	0.7
169.08612	0.7
169.09766	0.8
169.12225	0.9
169.14272	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1432
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.03932	5.8
55.01852	6.4
55.05511	84.5
56.05022	4.5
57.03418	4.7
57.07053	6.5
57.13038	1.7
57.23010	1.5
59.05001	12.0
59.06100	5.8
65.03922	2.2
67.05168	2.1
67.05505	25.9
68.05012	4.8
68.62193	1.6
69.03429	24.9
69.04528	3.6
69.06728	1.5
69.07072	22.0
69.38382	15.1
70.06571	4.7
71.04984	5.6
72.08163	2.9
78.04681	4.9
78.49794	1.4
79.05069	2.3
79.05496	36.6
81.03425	2.8
81.04519	2.7
81.07060	33.3
82.06583	8.8
83.04982	100.0
83.06036	7.0
83.08144	2.1
83.08621	40.3
84.04484	1.8
84.08129	4.2
84.08968	1.6
85.02908	1.9
85.06541	13.8
85.07647	5.5
91.05483	18.0
93.07043	58.2
94.06562	4.1
94.60660	1.5
95.04978	9.3
95.06095	3.6
95.08614	19.5
96.08121	2.3
97.06538	12.4
97.07624	5.7
97.10161	12.5
98.06017	1.8
98.07097	1.8
98.09686	2.4
99.08083	3.7
99.09163	2.3
103.05421	2.1
103.96912	1.4
105.06396	1.8
105.07032	21.3
106.04138	2.2
107.04977	8.7
107.08592	82.3
108.04487	2.7
108.05563	1.7
108.08910	3.6
109.02858	5.6
109.05785	2.1
109.06516	24.8
109.07629	18.6
109.10152	26.0
110.07156	3.0
110.08449	7.7
111.04454	7.5
111.08086	36.0
111.09202	12.1
111.11702	1.8
112.08847	7.0
113.09611	5.0
119.08530	1.9
121.01648	5.9
121.06503	12.6
121.08448	4.2
121.10143	69.5
122.06049	2.9
122.07126	6.5
122.10480	2.6
123.04456	10.3
123.08041	11.8
123.09172	3.8
123.11708	14.7
124.03870	1.7
124.05188	3.4
124.08694	7.4
125.05988	7.2
125.07227	1.4
125.08220	5.8
125.09639	23.8
125.10586	2.5
126.10325	2.6
131.04886	2.2
131.08560	7.9
135.04388	1.7
137.08215	1.8
139.02710	2.9
139.03923	2.0
139.07512	6.4
139.11162	6.1
144.03238	5.3
149.02306	3.9
149.05966	5.8
149.08371	3.2
149.09610	29.8
149.13261	12.3
150.05498	2.6
150.06587	2.6
150.09171	2.0
150.10260	21.2
151.03879	2.8
152.04701	2.6
162.04446	1.7
167.03400	5.5
167.05803	1.3
167.07050	51.4
167.09334	3.8
167.10663	27.2
167.12939	8.0
167.14307	67.4
168.06494	4.5
168.10039	1.7
168.14737	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	167.1432
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	5.8
55.01852	6.4
55.05511	84.5
56.05022	4.5
57.03418	4.7
57.07053	6.5
57.13038	1.7
57.23010	1.5
59.05001	12.0
59.06100	5.8
65.03922	2.2
67.05168	2.1
67.05505	25.9
68.05012	4.8
68.62193	1.6
69.03429	24.9
69.04528	3.6
69.06728	1.5
69.07072	22.0
69.38382	15.1
70.06571	4.7
71.04984	5.6
72.08163	2.9
78.04681	4.9
78.49794	1.4
79.05069	2.3
79.05496	36.6
81.03425	2.8
81.04519	2.7
81.07060	33.3
82.06583	8.8
83.04982	100.0
83.06036	7.0
83.08144	2.1
83.08621	40.3
84.04484	1.8
84.08129	4.2
84.08968	1.6
85.02908	1.9
85.06541	13.8
85.07647	5.5
91.05483	18.0
93.07043	58.2
94.06562	4.1
94.60660	1.5
95.04978	9.3
95.06095	3.6
95.08614	19.5
96.08121	2.3
97.06538	12.4
97.07624	5.7
97.10161	12.5
98.06017	1.8
98.07097	1.8
98.09686	2.4
99.08083	3.7
99.09163	2.3
103.05421	2.1
103.96912	1.4
105.06396	1.8
105.07032	21.3
106.04138	2.2
107.04977	8.7
107.08592	82.3
108.04487	2.7
108.05563	1.7
108.08910	3.6
109.02858	5.6
109.05785	2.1
109.06516	24.8
109.07629	18.6
109.10152	26.0
110.07156	3.0
110.08449	7.7
111.04454	7.5
111.08086	36.0
111.09202	12.1
111.11702	1.8
112.08847	7.0
113.09611	5.0
119.08530	1.9
121.01648	5.9
121.06503	12.6
121.08448	4.2
121.10143	69.5
122.06049	2.9
122.07126	6.5
122.10480	2.6
123.04456	10.3
123.08041	11.8
123.09172	3.8
123.11708	14.7
124.03870	1.7
124.05188	3.4
124.08694	7.4
125.05988	7.2
125.07227	1.4
125.08220	5.8
125.09639	23.8
125.10586	2.5
126.10325	2.6
131.04886	2.2
131.08560	7.9
135.04388	1.7
137.08215	1.8
139.02710	2.9
139.03923	2.0
139.07512	6.4
139.11162	6.1
144.03238	5.3
149.02306	3.9
149.05966	5.8
149.08371	3.2
149.09610	29.8
149.13261	12.3
150.05498	2.6
150.06587	2.6
150.09171	2.0
150.10260	21.2
151.03879	2.8
152.04701	2.6
162.04446	1.7
167.03400	5.5
167.05803	1.3
167.07050	51.4
167.09334	3.8
167.10663	27.2
167.12939	8.0
167.14307	67.4
168.06494	4.5
168.10039	1.7
168.14737	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	167.1431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	6.6
54.03461	3.4
55.01867	7.5
55.05512	89.8
56.05035	8.9
56.05827	1.8
56.96556	3.5
57.03442	6.6
57.07064	4.4
58.06601	2.4
59.05001	11.9
59.06120	12.5
59.30159	1.2
65.03935	3.5
67.05132	1.4
67.05498	28.0
68.05031	13.2
69.03075	2.0
69.03429	30.3
69.04545	4.1
69.07066	21.1
69.94701	3.5
69.95116	3.1
70.06592	87.0
71.05003	7.3
71.07375	3.2
72.08162	6.2
74.33964	1.4
75.04478	1.3
78.04710	5.1
79.05495	36.7
80.05016	4.9
81.03397	4.5
81.04539	5.8
81.07059	35.8
82.06580	17.7
83.04983	100.0
83.06074	12.1
83.08140	2.8
83.08617	47.9
84.04479	1.7
84.08143	12.4
84.96018	4.7
85.02899	2.5
85.06545	14.8
85.07666	9.5
86.06059	2.0
86.08440	1.6
91.05479	19.1
93.07044	69.3
94.06564	8.3
94.07370	2.3
95.04971	13.4
95.06084	6.9
95.08614	20.9
96.04468	2.9
96.05676	2.7
97.02873	2.8
97.06548	13.0
97.07653	12.9
97.10159	15.9
98.06036	2.0
98.07183	3.0
98.08479	1.6
98.09685	3.9
99.04446	2.2
99.05577	2.2
99.08120	1.9
99.09203	2.4
103.00644	1.5
105.03427	1.5
105.07021	18.5
106.04188	2.7
107.04966	9.2
107.06071	4.7
107.08594	80.0
108.04487	4.3
108.08941	3.2
109.02888	6.8
109.04015	1.5
109.06510	22.6
109.07642	40.7
109.10159	30.4
109.10923	2.1
110.06057	1.4
110.07217	6.9
110.08422	15.0
111.04456	7.1
111.05552	2.7
111.08080	44.1
111.09205	27.5
112.07637	1.5
112.08882	7.5
113.09642	5.3
116.06186	1.7
119.08614	3.6
121.01656	14.7
121.02866	3.5
121.06509	12.8
121.07658	2.9
121.08431	4.8
121.10143	70.6
122.03593	1.3
122.06039	3.7
122.07143	10.3
122.09653	2.3
122.10472	1.9
123.04435	11.3
123.05555	2.3
123.08061	14.0
123.09185	8.5
123.11708	12.8
124.05214	5.8
124.08734	12.0
125.06045	7.9
125.07096	4.1
125.08217	5.5
125.09653	25.1
126.05525	3.4
126.06603	2.7
126.10287	5.0
127.03891	1.8
127.07437	4.2
127.11086	1.8
131.08548	7.7
133.07594	2.3
135.04391	2.3
137.02547	1.2
137.08255	5.0
138.10190	1.5
139.02718	7.2
139.03842	2.2
139.07529	5.4
139.08595	1.9
139.11221	7.6
140.07060	2.6
140.08186	2.7
144.03261	15.2
149.02347	7.6
149.06038	6.8
149.07066	2.1
149.08360	2.9
149.09621	23.8
149.13255	10.9
150.05489	3.3
150.06659	5.3
150.10268	40.2
151.03891	1.5
151.08629	1.8
152.04688	3.0
153.71069	1.6
153.82109	1.4
162.04320	4.9
162.96785	1.3
167.03415	8.0
167.04839	1.9
167.07048	50.7
167.09285	9.9
167.10689	31.7
167.12927	14.8
167.14340	64.2
168.06439	6.4
168.07837	2.3
168.10049	7.1
168.11340	4.3
168.13681	2.3
177.00618	1.4
177.02431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1068
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03942	2.2
55.01880	1.8
55.05507	10.3
56.96569	4.0
57.03453	1.1
57.07070	1.9
59.04998	2.9
61.21043	0.6
65.03951	0.7
67.05514	6.0
69.03424	2.7
69.07070	34.8
69.43420	5.5
70.06575	0.6
71.04993	1.4
78.04704	0.8
79.05490	17.1
81.03426	1.5
81.07056	14.8
83.04990	4.1
83.08621	3.2
84.96034	3.1
85.02911	0.7
85.06511	0.9
91.05476	12.3
93.07044	71.5
94.07416	1.0
95.04968	4.0
95.08608	11.7
97.02894	0.7
97.06523	7.4
97.10162	1.4
98.06004	0.7
98.07152	0.6
100.11284	0.8
103.05468	1.7
105.04512	0.8
105.07034	17.4
106.07835	1.3
107.04935	2.2
107.08598	9.3
109.02913	1.3
109.06521	3.0
109.10143	2.2
111.04460	1.3
111.08057	2.2
111.11717	8.0
116.00293	0.7
119.08569	2.7
121.01659	6.4
121.02890	0.8
121.06519	2.3
121.10144	100.0
122.07067	0.6
122.10462	2.5
123.04443	3.1
123.08073	7.5
123.11713	1.4
124.05293	0.9
125.06033	1.2
125.08225	1.3
125.09601	1.3
126.05523	1.1
131.08589	2.6
139.02699	4.9
139.03783	1.3
139.07556	1.2
139.11179	4.6
143.96689	0.8
144.03252	6.3
149.02339	2.1
149.06000	1.4
149.09619	17.8
149.13309	1.5
150.05463	1.1
151.03978	0.8
162.04282	3.8
163.03943	0.9
167.03410	2.1
167.04845	1.0
167.05557	1.0
167.07024	11.6
167.08398	1.5
167.10672	43.8
167.14348	2.7
168.06500	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1067
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.02369	0.5
52.57934	0.5
53.03949	2.3
53.50510	0.4
55.01872	1.5
55.05508	3.5
56.05026	1.4
57.03437	2.3
57.07064	1.0
59.06123	1.9
65.03937	0.7
67.05503	3.5
68.05022	1.5
69.03425	2.1
69.04572	0.5
69.07062	2.7
70.06583	1.3
71.04994	0.9
71.58218	0.5
72.08150	0.5
74.18768	0.5
75.04478	6.7
78.04722	1.1
79.05489	13.9
80.05038	0.6
81.04542	0.6
81.07056	11.0
82.06567	1.7
83.04978	2.8
83.06094	1.7
83.08622	1.6
84.08149	1.1
84.96052	0.5
85.06521	1.0
85.07645	0.9
87.04448	0.6
91.05477	14.6
93.07041	100.0
94.06571	1.0
94.07370	1.9
95.04970	5.4
95.08608	5.6
97.02866	0.9
97.06539	3.6
97.07644	1.3
97.10143	0.5
98.07164	0.6
103.05471	0.6
105.07018	7.9
107.04960	2.8
107.06100	0.7
107.08592	25.0
108.08901	0.8
109.02872	2.0
109.06517	4.6
109.07632	5.1
109.10137	1.9
110.07153	0.9
110.08411	2.0
111.04433	2.4
111.05601	0.6
111.08076	17.7
111.09166	2.2
112.08665	0.5
119.08595	2.0
121.01665	2.6
121.02849	1.7
121.06508	2.7
121.08434	1.5
121.10139	67.2
122.06032	0.7
122.07159	2.5
122.10495	1.7
123.04450	2.4
123.08075	4.3
123.11718	2.5
124.05169	1.1
124.08709	1.5
125.05990	4.0
125.08240	2.0
125.09677	2.3
126.06598	1.0
126.10294	0.5
131.08545	2.2
139.02715	0.9
139.03802	0.5
139.07541	1.5
139.09549	0.5
139.11172	4.9
144.03224	1.3
149.02386	2.9
149.05974	1.2
149.09613	10.3
149.13232	1.2
150.06569	0.6
150.10236	5.3
151.03845	1.0
162.04242	0.8
167.03389	2.0
167.05563	0.5
167.07031	11.2
167.08478	0.4
167.09183	2.3
167.10635	14.5
167.12938	1.7
167.14331	2.0
168.06503	1.1
168.11238	0.9
178.88597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1276
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
51.02380	0.3
51.25822	0.3
55.01878	1.5
55.05510	2.7
56.05030	0.6
56.96560	0.4
57.03442	2.5
57.07087	2.0
59.05003	0.7
65.03953	0.7
67.01870	0.4
67.05504	8.5
69.03429	1.6
69.07064	3.5
69.68624	0.5
69.69027	2.3
70.06597	0.8
71.04995	0.8
71.08627	1.2
79.05490	5.1
80.05001	0.5
81.03428	0.8
81.04546	0.4
81.06578	0.8
81.07057	12.7
82.06598	0.4
82.07388	0.6
83.04980	2.3
83.06096	0.8
83.08614	1.6
91.05481	12.9
93.07043	9.8
94.04206	0.4
95.04971	6.2
95.06068	0.5
95.08608	10.6
96.05748	0.4
97.06540	1.3
97.07635	0.4
100.02538	0.5
100.86100	0.4
101.00869	1.7
101.02512	0.6
102.02210	0.5
103.05449	0.4
105.07027	10.0
107.04948	1.3
107.06068	0.6
107.08591	8.9
108.08883	0.5
109.02841	0.3
109.06519	15.4
109.10153	10.2
111.09238	0.4
115.23259	0.3
117.07039	1.1
118.03553	0.7
119.01921	14.4
119.03596	1.0
119.04942	12.1
119.08585	16.1
120.02049	1.0
120.03261	0.5
120.04495	0.5
120.05299	0.8
120.08104	3.1
120.08858	0.6
121.06519	1.6
121.10142	19.2
121.74451	0.4
122.07262	7.5
122.10450	0.7
122.88696	0.4
123.04418	1.2
123.08072	9.5
123.11703	4.4
124.02448	0.6
124.04076	0.4
124.08714	0.8
126.03494	0.4
133.02858	0.8
135.08031	1.8
137.02965	7.4
137.09613	100.0
137.13164	1.8
137.98343	1.0
138.03041	0.4
138.05508	0.4
138.09953	4.2
140.48639	0.4
142.03502	11.7
142.96739	0.8
143.03604	0.7
145.10115	0.6
147.04410	27.0
147.08022	1.8
147.11676	7.3
148.02141	2.8
148.04784	1.0
148.08661	0.9
148.12013	0.5
150.10414	3.5
160.04558	5.0
161.04668	0.5
165.01808	1.0
165.05508	2.7
165.07776	0.8
165.09085	6.1
165.12747	45.2
166.03232	0.5
166.04968	1.7
166.08612	1.2
166.13068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03942	0.8
55.01863	0.7
55.05504	2.8
56.96561	0.9
57.03436	1.0
57.07072	0.7
65.03946	0.9
67.05505	8.3
68.05038	0.5
69.03431	1.6
69.07065	1.2
70.06592	0.9
71.04985	0.4
71.60416	0.5
71.60793	0.4
72.72001	0.4
76.00518	0.4
79.05489	2.8
80.05031	0.5
81.03408	1.9
81.04535	0.4
81.07060	7.3
82.07396	0.4
82.99940	0.3
83.04971	2.1
83.06123	0.8
83.08626	0.6
85.06522	0.4
85.07655	0.5
91.05478	14.0
92.05823	0.6
93.07043	3.7
95.04959	3.3
95.06100	0.6
95.08595	5.9
97.06510	0.9
97.07657	0.6
100.02474	0.7
101.00901	1.1
101.02554	0.5
103.05481	1.1
104.06202	0.4
105.03445	0.4
105.07028	5.3
107.04968	2.3
107.06068	0.8
107.08584	3.4
109.06513	4.6
109.07627	0.5
109.10152	10.4
110.07187	0.4
111.09210	0.9
115.05443	0.6
117.07017	1.4
119.01921	13.4
119.03676	0.8
119.04944	12.0
119.08576	16.6
120.02029	1.0
120.03246	0.7
120.05267	0.6
120.08114	6.3
120.08891	0.8
121.06502	3.5
121.07326	0.5
121.10143	3.0
122.07277	10.3
123.04413	0.8
123.08109	4.0
123.11718	1.9
124.08709	1.7
125.09505	0.5
133.02859	1.0
134.04941	0.5
135.08040	1.7
136.08841	6.4
137.02971	6.6
137.05994	1.7
137.09612	100.0
137.98366	0.5
138.03081	0.6
138.06508	0.5
138.09015	0.5
138.09949	3.4
142.02420	0.9
142.03490	10.9
142.96693	1.1
143.03603	0.8
147.04408	26.2
147.08037	2.1
147.09163	1.0
147.11682	4.4
148.04747	1.1
148.08621	1.1
148.12071	0.6
150.10342	0.4
160.04559	5.7
165.01816	1.1
165.05482	3.6
165.09109	39.2
165.11415	1.7
165.12740	24.4
166.04890	0.9
166.09496	1.6
166.13116	0.6
184.70528	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	165.1275
Annotation	Jasmone
Peak:m/z	Relative Intensity
53.03938	1.8
53.98036	0.7
54.03462	0.7
55.01854	2.3
55.05505	8.0
56.05020	2.8
56.96560	1.7
57.03413	2.5
57.07080	4.4
58.06590	1.9
59.04988	0.9
59.06116	1.5
65.03925	2.6
67.05504	24.0
67.35403	0.7
68.05018	3.8
69.03420	6.0
69.07059	5.8
70.06561	2.9
70.78819	2.7
71.04969	3.2
71.08611	2.0
77.03905	1.0
79.05495	12.4
80.04997	2.3
80.05836	0.8
81.03400	3.2
81.04529	3.4
81.07056	38.0
82.05318	1.0
82.06561	3.4
82.07378	1.0
83.05006	4.5
83.06099	7.4
83.08614	3.7
85.02893	1.5
85.06506	0.9
85.07660	2.3
85.10166	2.0
91.05478	34.0
92.05799	1.5
93.06484	0.9
93.07037	15.1
94.04167	1.0
94.06545	1.0
94.07359	0.8
94.40106	1.0
95.04963	12.4
95.06082	2.3
95.08604	40.3
97.02883	0.9
97.06501	2.1
97.07655	3.8
98.07159	1.2
99.04475	0.8
100.02483	0.9
101.00886	3.1
101.02546	2.5
102.02227	1.9
103.05470	2.9
105.03410	1.7
105.07034	26.2
106.07349	1.1
107.04945	3.4
107.06081	3.7
107.08592	20.5
108.05586	1.2
108.08933	0.9
109.06520	16.2
109.07627	2.4
109.10156	54.2
110.07167	1.4
110.10480	1.6
111.08041	0.8
111.09202	2.2
117.07001	2.3
119.01923	46.7
119.04938	40.5
119.08579	26.2
120.02013	3.8
120.03202	1.9
120.04488	1.3
120.05269	1.6
120.08105	23.4
120.08883	1.2
121.06483	2.8
121.07586	1.9
121.10144	20.3
122.07177	8.0
122.10433	1.3
123.04416	3.4
123.06701	1.2
123.08063	16.2
123.10807	1.5
123.11697	24.7
123.96489	0.8
124.02433	1.7
124.03906	0.9
124.08711	8.1
125.09478	2.3
127.07533	1.1
133.02811	3.9
133.06427	1.1
135.08066	1.4
136.08736	1.3
137.01978	1.4
137.02962	28.1
137.05983	6.4
137.07996	1.7
137.09612	22.2
137.13239	4.9
137.98346	1.9
138.03041	2.6
138.05550	2.0
138.06592	2.4
138.10178	2.6
142.03499	46.4
142.96684	2.0
143.03568	4.5
147.04410	100.0
147.08028	8.4
147.11681	16.8
148.04861	4.7
148.07552	1.4
148.08658	6.8
150.26216	0.8
160.04550	24.2
161.04726	1.5
165.01822	1.9
165.05472	14.2
165.07626	3.6
165.09096	26.4
165.11343	9.8
165.12733	37.9
165.16397	11.1
166.04942	5.7
166.08502	5.0
166.09807	1.0
166.13152	1.8
183.06293	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	165.1274
Annotation	p-tert-Amylphenol
Peak:m/z	Relative Intensity
53.03948	0.6
54.04312	0.5
55.05508	3.9
56.53117	0.4
57.07072	0.4
57.38031	0.5
60.31609	0.3
65.03923	0.5
67.05496	2.8
69.03431	0.9
69.07069	2.4
71.04974	0.4
79.05495	2.0
81.03415	1.1
81.07055	6.7
83.04984	1.1
83.08604	2.4
91.05485	6.1
93.07037	2.1
95.04964	100.0
95.08610	4.3
96.05264	2.2
97.06535	0.6
100.02480	0.5
101.00875	1.8
101.02589	0.8
102.02213	0.8
105.07025	4.5
107.08598	9.3
109.06513	20.3
109.10139	2.8
110.65518	0.4
112.76739	0.4
119.01917	13.8
119.03634	0.7
119.04929	9.1
119.08589	4.6
120.02036	0.9
120.03297	0.7
120.08107	1.2
121.10160	2.3
122.07174	0.8
123.08060	1.2
123.11691	1.4
137.02959	6.0
137.05919	0.6
137.09616	3.2
137.13277	1.2
137.98361	0.5
138.03075	0.4
139.40317	0.4
142.03484	11.5
142.96725	0.5
143.03581	1.0
147.04401	21.1
147.08031	0.7
147.11674	10.3
148.04741	1.6
148.12080	0.5
148.53279	0.4
160.04575	5.0
165.01788	0.5
165.05290	1.5
165.09074	5.4
165.12746	70.8
166.04991	0.6
166.13118	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	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03935	1.2
55.01875	1.0
55.05524	2.7
56.05036	0.8
56.96577	1.6
57.03455	2.8
57.07090	1.9
59.05040	0.7
59.06144	0.7
65.03964	1.4
66.28912	0.7
67.05505	10.9
68.05045	0.9
69.03452	3.0
69.07071	4.1
69.64008	4.8
70.06609	0.9
71.05003	1.0
79.05488	5.8
79.48360	0.6
80.05019	0.6
81.03419	1.5
81.04536	1.4
81.07054	17.1
83.04996	2.4
83.06126	2.1
83.08643	1.4
85.06520	0.7
91.05479	20.0
92.05830	0.9
93.07039	10.8
93.07552	1.0
94.07818	0.7
95.04971	11.8
95.06091	0.8
95.08604	13.6
97.06579	1.0
100.02511	1.5
101.00888	3.5
101.02599	1.8
102.02243	1.5
103.05439	1.5
105.07025	12.2
107.04977	1.6
107.06098	1.5
107.08594	10.9
109.06519	15.7
109.10152	12.8
110.07254	1.2
111.09229	1.0
111.66510	0.6
117.07034	1.1
118.03521	1.2
119.01921	34.8
119.03615	1.9
119.04938	26.9
119.08579	19.7
120.02029	1.6
120.03284	1.2
120.05329	0.9
120.08108	7.3
121.06530	1.3
121.07635	1.1
121.10142	20.3
122.07233	9.1
123.04456	1.7
123.06713	1.2
123.08065	11.0
123.10008	0.8
123.11729	4.6
124.02457	1.2
124.04005	0.8
124.08707	2.7
125.09489	0.8
127.07664	0.6
129.06958	0.6
133.02884	1.6
135.08069	1.7
137.02968	13.4
137.05988	2.2
137.09613	100.0
137.13264	1.8
138.05490	0.7
138.09985	4.0
142.03500	28.8
142.96701	2.6
143.03609	2.4
147.04410	61.8
147.07967	4.0
147.11690	9.5
148.04863	3.2
148.08618	2.0
150.10358	2.0
160.04546	14.7
161.04669	1.0
165.01846	2.0
165.05351	7.3
165.07634	2.1
165.09094	10.4
165.11292	3.1
165.12740	46.4
166.04984	2.3
166.08607	2.0
166.13049	2.0
175.15706	0.7
183.06166	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	165.1275
Annotation	exo-Norbicycloekasantalal
Peak:m/z	Relative Intensity
53.03952	1.0
55.01890	1.6
55.05505	2.6
57.03444	2.2
57.07075	1.9
58.06577	0.5
59.05008	0.7
64.77928	0.6
65.03955	0.9
67.05502	9.2
68.05016	0.7
69.03436	2.2
69.07066	3.7
69.63783	4.2
70.06594	0.8
71.04997	0.6
71.08639	1.1
79.05489	6.6
80.05013	0.5
81.03428	1.1
81.04538	0.7
81.07059	13.5
83.01514	0.5
83.04977	2.5
83.06133	0.8
83.08617	0.9
91.05480	12.9
91.18449	0.5
92.05810	0.5
93.07044	11.3
95.04971	7.1
95.06088	0.7
95.08607	10.2
95.65781	0.5
97.06548	0.9
97.07648	0.9
98.20733	0.8
100.02474	0.9
101.00916	2.6
101.02567	1.7
102.02218	0.9
103.05483	0.7
105.07025	11.0
106.07335	0.7
107.04922	0.8
107.06078	0.9
107.08593	10.5
109.06519	16.8
109.10154	9.9
110.09756	0.5
110.10520	0.7
111.09234	0.8
117.07012	1.4
118.03554	1.1
119.01922	23.6
119.03674	1.1
119.04940	13.1
119.08578	17.8
120.02048	0.9
120.03230	0.7
120.04465	0.8
120.05225	0.6
120.08102	3.7
120.08871	0.8
121.06503	1.3
121.10145	19.1
122.07262	7.8
122.10477	0.7
123.04414	1.2
123.08072	9.4
123.11729	4.3
124.02441	1.2
124.08710	1.8
126.42670	0.6
133.02838	0.6
135.08018	2.2
136.08707	0.7
137.02977	11.7
137.05972	1.7
137.09616	100.0
137.13242	2.0
138.03067	0.7
138.05499	0.7
138.09985	3.8
142.03499	21.0
142.96666	0.9
143.03651	1.3
147.04410	30.0
147.08043	2.2
147.11687	8.4
148.02150	4.2
148.04770	2.1
148.07538	0.6
148.08685	1.3
150.10378	2.9
160.04565	10.4
161.04749	0.6
165.01830	1.3
165.05458	2.9
165.07751	1.2
165.09090	6.5
165.11513	1.8
165.12747	47.2
166.03261	0.7
166.05078	1.8
166.08601	0.9
166.13104	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	165.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.3
51.25822	0.3
55.01878	1.5
55.05510	2.7
56.05030	0.6
56.96560	0.4
57.03442	2.5
57.07087	2.0
59.05003	0.7
65.03953	0.7
67.01870	0.4
67.05504	8.5
69.03429	1.6
69.07064	3.5
69.68624	0.5
69.69027	2.3
70.06597	0.8
71.04995	0.8
71.08627	1.2
79.05490	5.1
80.05001	0.5
81.03428	0.8
81.04546	0.4
81.06578	0.8
81.07057	12.7
82.06598	0.4
82.07388	0.6
83.04980	2.3
83.06096	0.8
83.08614	1.6
91.05481	12.9
93.07043	9.8
94.04206	0.4
95.04971	6.2
95.06068	0.5
95.08608	10.6
96.05748	0.4
97.06540	1.3
97.07635	0.4
100.02538	0.5
100.86100	0.4
101.00869	1.7
101.02512	0.6
102.02210	0.5
103.05449	0.4
105.07027	10.0
107.04948	1.3
107.06068	0.6
107.08591	8.9
108.08883	0.5
109.02841	0.3
109.06519	15.4
109.10153	10.2
111.09238	0.4
115.23259	0.3
117.07039	1.1
118.03553	0.7
119.01921	14.4
119.03596	1.0
119.04942	12.1
119.08585	16.1
120.02049	1.0
120.03261	0.5
120.04495	0.5
120.05299	0.8
120.08104	3.1
120.08858	0.6
121.06519	1.6
121.10142	19.2
121.74451	0.4
122.07262	7.5
122.10450	0.7
122.88696	0.4
123.04418	1.2
123.08072	9.5
123.11703	4.4
124.02448	0.6
124.04076	0.4
124.08714	0.8
126.03494	0.4
133.02858	0.8
135.08031	1.8
137.02965	7.4
137.09613	100.0
137.13164	1.8
137.98343	1.0
138.03041	0.4
138.05508	0.4
138.09953	4.2
140.48639	0.4
142.03502	11.7
142.96739	0.8
143.03604	0.7
145.10115	0.6
147.04410	27.0
147.08022	1.8
147.11676	7.3
148.02141	2.8
148.04784	1.0
148.08661	0.9
148.12013	0.5
150.10414	3.5
160.04558	5.0
161.04668	0.5
165.01808	1.0
165.05508	2.7
165.07776	0.8
165.09085	6.1
165.12747	45.2
166.03232	0.5
166.04968	1.7
166.08612	1.2
166.13068	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0911
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
53.03952	0.4
54.03472	0.3
55.01862	0.5
55.05505	1.5
56.05035	0.3
56.96562	0.5
57.03432	0.5
57.07086	0.3
57.49892	0.2
59.06122	0.3
65.03937	0.8
67.05502	11.0
68.05031	0.7
69.03423	1.2
69.07061	1.2
70.06613	0.7
70.71357	0.7
71.04963	0.3
77.03936	0.3
79.05501	3.1
80.05012	0.6
81.03429	0.7
81.04562	0.6
81.07051	6.5
82.06592	0.3
83.04985	2.1
83.06096	1.2
83.08601	0.3
85.07652	0.4
91.05476	15.1
92.05816	0.6
92.96844	0.2
93.07037	3.4
94.07841	0.3
95.04954	3.0
95.06102	0.4
95.08602	5.5
97.06509	0.4
97.07669	0.6
98.21444	0.2
100.02433	0.3
101.00865	1.6
101.02563	0.8
102.02242	0.4
103.05460	1.5
104.06247	0.9
105.07031	4.5
107.04915	1.2
107.06065	0.9
107.08582	3.6
109.06512	2.6
109.07661	0.5
109.10153	11.8
110.07187	0.2
110.09755	0.2
111.09193	0.8
115.05446	0.6
117.07010	2.2
118.03542	0.6
119.01919	11.8
119.03642	0.5
119.04939	10.0
119.08576	15.8
120.01949	0.5
120.03257	0.3
120.08092	2.3
120.08911	0.6
121.06497	1.5
121.07619	0.5
121.10139	2.6
122.07270	9.1
123.04440	1.0
123.08080	2.4
123.11716	1.3
124.02451	0.4
124.05073	0.3
124.08717	1.1
125.09510	0.5
128.97818	0.3
130.63541	0.2
133.02850	0.5
135.08044	0.8
136.08832	2.3
137.02965	4.3
137.06099	1.2
137.09610	57.7
137.13179	0.6
137.98363	0.4
138.03050	0.2
138.09952	1.9
142.03494	9.1
142.04607	0.5
142.96706	0.5
143.03616	0.7
147.04402	24.1
147.08054	3.8
147.09131	0.4
147.11684	3.2
148.04823	0.8
148.08687	1.3
160.04544	4.5
160.34993	0.2
161.04590	0.3
165.01883	0.5
165.05498	2.2
165.09105	100.0
165.12738	11.6
166.05061	0.8
166.09505	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	165.091
Annotation	gamma-Thujaplicin
Peak:m/z	Relative Intensity
50.39713	0.3
50.90887	0.3
51.21374	0.3
53.03955	0.9
54.47105	0.3
55.01873	0.6
55.05507	2.7
56.05039	0.7
56.96561	0.7
57.03438	0.6
57.07072	1.5
58.06588	0.4
59.05025	0.4
65.03951	0.9
67.05502	13.7
68.05047	0.6
69.03434	1.0
69.07052	1.7
69.35826	0.3
70.06602	1.2
70.07890	1.2
70.08298	0.6
71.04998	0.4
71.08627	0.7
73.39845	0.3
77.03960	0.3
79.05486	3.6
80.05025	0.6
81.03424	1.0
81.04549	0.6
81.07054	10.2
81.07516	0.5
82.06566	0.6
83.04987	1.8
83.06089	2.0
83.08617	1.0
85.02898	0.6
85.06559	0.4
85.07652	0.6
88.00499	0.3
91.05477	16.9
91.38255	0.3
92.05854	0.7
93.07043	4.0
95.04973	3.2
95.06100	0.6
95.08601	13.7
97.07683	0.9
101.00903	1.2
101.02563	0.4
103.05450	1.6
104.06243	0.7
105.07024	4.7
105.07682	0.5
105.88112	0.3
107.04956	1.1
107.06097	1.4
107.08586	5.1
108.05740	0.4
109.06513	3.5
109.07640	1.2
109.10148	22.0
109.58997	0.3
110.07207	0.4
111.04492	0.3
111.09209	0.5
112.05081	0.3
116.98610	0.4
117.06992	2.5
119.01919	11.1
119.03616	0.7
119.04935	11.6
119.08572	16.7
120.02010	0.6
120.04449	0.3
120.05353	0.5
120.08102	4.5
120.08882	0.4
121.06505	1.8
121.07629	0.6
121.10150	2.7
122.03304	0.3
122.07262	8.0
123.04459	1.6
123.08057	6.9
123.11700	5.1
124.07626	0.5
124.08719	1.8
125.09495	1.0
127.07533	0.3
129.06985	0.3
132.05646	0.4
133.02863	0.9
134.99632	0.5
135.08057	0.9
136.08833	1.5
137.02954	6.5
137.06027	1.9
137.09608	47.5
138.03076	0.6
138.10030	1.4
142.03497	10.6
142.96741	0.4
143.03630	0.6
147.04404	26.3
147.08031	4.8
147.09138	0.3
147.11688	3.6
148.04819	0.9
148.07584	0.4
148.08670	1.4
160.04532	4.7
165.01921	0.8
165.05537	2.6
165.09103	100.0
165.12749	12.2
165.16330	2.6
166.05011	1.2
166.08499	1.5
166.09523	2.3
178.76828	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	165.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81910	1.1
62.22163	1.4
67.31797	1.4
69.56284	10.4
101.00858	11.7
101.38656	1.4
106.82677	1.1
119.01921	89.6
120.02028	2.3
124.02442	4.4
137.02954	41.0
142.03497	100.0
143.03644	3.6
160.04564	40.1
165.05093	4.3
169.21811	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0546
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.93866	0.3
53.03949	0.3
55.01620	0.2
55.01875	0.4
55.05511	1.1
56.05037	1.3
56.96570	0.6
57.03428	0.4
57.04578	0.3
58.06607	0.7
59.06129	0.7
62.78345	0.2
65.03947	1.2
65.59055	0.2
67.05510	2.7
68.05026	2.0
69.03436	1.1
69.04543	0.6
69.07059	2.5
70.06588	1.6
70.77292	0.2
71.04964	0.3
71.59120	0.3
71.59476	0.3
79.05477	2.5
80.05019	0.8
81.03422	0.7
81.04527	1.3
81.06635	0.5
81.07063	4.9
82.06583	1.3
83.04977	0.9
83.06099	3.4
85.02898	0.3
85.07671	1.2
87.05562	0.3
91.05481	21.6
92.05838	0.6
93.07032	2.8
94.06581	0.4
95.04971	4.3
95.06115	1.3
95.08602	3.8
97.06458	0.4
97.07674	1.5
98.07174	1.1
98.97546	1.3
99.80978	0.3
101.00861	1.3
101.02522	0.3
103.05480	0.5
105.03407	0.3
105.07042	3.5
107.04970	0.9
107.06086	2.3
107.08588	4.2
108.08934	0.4
109.06507	3.2
109.07640	1.9
109.10156	2.6
110.07178	0.8
111.09205	0.9
116.98624	1.4
117.07024	0.9
119.01931	15.8
119.04943	39.9
119.08583	7.8
120.02033	0.6
120.05288	0.5
120.08114	3.1
121.06445	0.6
121.07655	1.5
121.10140	3.5
122.07158	2.6
122.09666	0.6
123.04450	4.5
123.06702	0.3
123.08086	3.7
123.11731	1.8
124.02493	0.5
124.05090	0.3
124.08702	3.0
125.09493	1.7
132.05681	0.4
133.02866	0.6
133.06407	0.3
134.99663	0.8
135.08070	0.3
136.07648	0.3
136.08739	0.6
137.02966	8.4
137.05957	2.1
137.07974	0.5
137.09598	2.8
137.13246	0.7
138.05516	0.4
138.06540	0.5
138.09303	0.3
138.10272	1.6
140.06955	0.3
142.03497	15.7
142.96712	0.5
143.03627	0.5
144.78120	0.3
147.04408	100.0
147.07997	2.1
147.11682	2.3
148.04765	2.4
148.07561	0.5
148.08662	2.8
158.99632	0.8
160.04556	6.0
165.01834	0.8
165.05437	3.8
165.07616	0.9
165.09102	5.3
165.11353	5.3
165.12773	4.6
165.14105	0.3
166.04974	0.6
166.08615	0.6
166.09859	0.4
177.00735	1.1
183.06192	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	164.067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58432	0.1
56.96554	0.2
58.99838	0.4
60.00628	0.1
65.01202	0.2
70.45766	0.1
70.46125	0.1
77.00904	0.1
78.95274	0.1
81.03457	0.1
82.01435	2.0
82.99802	1.0
83.02258	0.2
99.53455	0.1
100.02478	13.9
101.00867	15.1
101.02533	0.6
102.02871	0.1
118.01204	0.1
118.03521	9.8
119.01912	100.0
120.02526	0.1
120.03944	0.1
121.01586	0.1
121.02364	0.3
122.53726	0.1
123.01597	0.1
123.04027	0.7
124.02424	4.7
131.54253	0.1
133.03410	0.1
136.04570	0.6
137.02948	41.2
137.98366	0.1
138.03294	0.1
139.03369	0.3
141.02715	0.1
141.04012	0.1
141.05078	1.0
142.03488	94.5
143.03918	0.1
144.03941	0.1
147.04410	0.2
151.04581	0.1
156.04990	0.2
159.04987	0.1
159.06136	0.3
160.04546	36.4
162.04933	0.2
165.05087	4.2
166.05466	0.1
170.06682	0.1
183.06146	0.8
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
51.02382	0.6
53.03948	2.4
55.01877	0.8
55.05509	8.5
56.05034	0.7
56.96568	1.3
57.03435	2.1
57.07074	4.6
65.03939	0.8
67.05502	3.9
68.05019	1.2
69.03426	1.7
69.07069	23.7
70.07402	0.5
70.29232	1.8
70.29620	1.1
70.36359	0.5
71.04979	0.7
73.02936	0.6
77.03941	0.8
79.05492	18.5
80.05025	0.8
80.05788	0.6
81.03405	1.0
81.04528	3.3
81.07058	12.4
82.05340	0.8
82.06599	0.6
83.04987	0.7
83.06114	0.9
83.08619	7.5
85.02904	2.8
89.03930	1.0
89.06045	0.8
91.04903	0.7
91.05479	14.3
92.02652	0.7
93.04577	0.7
93.07044	30.0
94.07372	1.1
95.04967	7.5
95.06094	2.5
95.08609	11.0
96.06864	1.5
97.02872	0.7
97.07639	1.7
99.04478	0.6
100.02476	2.1
103.05471	10.6
103.07588	1.2
105.03392	2.3
105.04527	1.8
105.07029	13.5
106.06572	0.7
107.04953	5.7
107.06083	1.9
107.08595	100.0
108.05619	1.6
108.08924	2.8
109.06518	2.8
109.07666	1.8
109.10162	2.2
115.05423	1.1
117.03406	0.6
117.07019	5.0
118.03488	3.5
119.01826	0.6
119.04993	1.1
119.06081	2.2
119.08565	7.1
119.09351	0.7
120.05576	1.6
121.06484	2.6
121.10142	67.3
121.96660	0.9
122.07175	5.8
122.10425	2.7
123.07986	4.6
130.06561	0.7
130.07773	1.9
131.04936	11.7
132.08069	0.7
133.02859	5.1
133.07597	1.2
133.10202	1.0
134.99658	0.6
135.04424	8.0
135.07092	0.6
135.08046	9.2
135.11694	31.8
136.07570	4.4
136.08670	3.8
136.12057	1.7
137.07100	0.7
145.03992	1.1
145.06500	2.4
145.10141	4.8
146.02290	0.7
146.06078	1.1
146.07137	2.5
163.03899	38.3
163.07559	11.2
163.09781	9.2
163.11172	13.4
163.14819	39.6
164.03279	1.1
164.04445	1.1
164.07043	4.9
164.08064	0.9
164.11746	0.7
164.15169	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	163.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.7
53.03949	3.8
54.03475	0.8
54.04258	0.5
55.01880	2.3
55.05515	4.9
56.05021	1.0
56.96548	1.9
57.03426	2.0
57.07080	3.4
63.02329	0.4
65.03938	1.2
67.05504	4.3
68.05024	1.8
69.03437	4.2
69.06723	0.8
69.07073	12.8
69.07449	0.9
69.59831	3.8
70.07405	0.6
71.05005	1.3
73.02914	1.2
75.68051	0.5
77.03925	1.2
79.05494	21.5
79.05960	1.1
80.05004	1.0
80.05824	1.2
80.06264	1.0
81.03405	1.9
81.04546	2.8
81.07057	10.8
82.01427	0.7
82.05314	2.2
82.06576	0.7
82.07376	0.7
83.04978	1.9
83.06100	1.5
83.08630	3.8
85.02902	2.1
87.99785	0.5
89.03909	1.0
89.06026	2.3
91.05480	13.7
92.02608	0.9
93.04512	0.7
93.07048	26.1
94.06590	0.7
94.07352	0.7
95.04977	13.4
95.06073	3.8
95.08611	6.1
96.05664	0.4
96.06871	1.0
97.02877	0.6
97.07654	2.0
98.97594	0.6
99.04453	0.7
100.02487	7.9
103.05473	28.6
104.05813	1.0
105.03399	2.9
105.04532	2.6
105.07037	14.2
107.04958	15.0
107.06102	1.6
107.08596	53.7
108.04494	0.6
108.05568	2.1
108.08180	1.2
108.08935	1.5
109.06523	3.5
109.07625	2.0
109.10139	1.1
110.01238	0.5
110.03074	0.4
112.05230	0.5
115.05452	2.2
116.05003	0.7
116.98641	0.8
117.05744	0.6
117.07021	8.4
118.03524	6.8
118.04295	0.7
118.06545	0.7
119.01820	1.1
119.04955	1.8
119.06098	1.5
119.08587	10.8
119.09438	0.6
120.05624	2.0
120.08905	0.5
121.06514	6.5
121.10148	41.6
121.96626	1.0
122.06229	0.8
122.07159	7.3
122.10493	1.3
123.04031	0.5
123.07983	4.1
124.16120	0.5
127.07564	0.7
128.02293	0.5
129.06996	1.0
130.06537	0.8
130.07793	3.2
131.04929	35.9
132.05298	1.7
132.08090	1.2
133.01950	0.3
133.02855	9.5
133.06482	0.9
133.10141	0.8
134.03203	0.5
134.99681	0.5
135.04431	27.6
135.05515	2.1
135.08046	6.8
135.10669	1.1
135.11690	19.7
136.04718	1.8
136.07570	10.2
136.08681	5.4
136.12044	1.0
137.01744	1.0
137.07130	0.6
138.03160	0.5
141.05045	0.8
143.08556	1.0
145.02887	1.2
145.03931	1.1
145.04985	0.5
145.06461	3.7
145.10126	17.0
146.06114	0.6
146.07123	2.7
146.10484	1.0
147.04417	0.5
147.08078	1.0
147.09213	0.6
148.05203	2.0
148.08839	1.4
158.01334	0.5
163.03911	100.0
163.07562	23.4
163.09808	13.7
163.11191	39.1
163.14828	22.6
164.04396	7.4
164.06950	6.0
164.08138	1.4
164.11739	2.6
164.15230	0.8
180.87386	0.4
181.04944	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	163.1119
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.39510	0.9
51.02389	0.9
52.27203	0.9
53.03941	5.9
55.01662	1.0
55.01874	9.6
55.05509	7.2
56.96571	4.5
57.03436	5.6
57.07074	4.1
61.02925	1.8
65.03930	1.5
67.05506	11.5
68.05032	1.1
69.03428	6.9
69.07068	8.5
71.04984	2.4
71.47726	1.9
73.02923	1.7
77.00784	1.3
77.03911	0.9
78.45747	0.9
79.05493	30.6
80.05056	0.9
81.03423	5.0
81.04534	2.0
81.07054	21.4
82.01437	1.3
82.05301	1.5
83.04970	2.7
83.08611	1.9
85.02905	3.0
89.03917	3.1
89.06013	3.1
89.65816	0.9
91.05475	20.9
92.01283	0.9
92.02594	1.5
93.07047	40.1
94.07378	0.9
94.51512	1.0
95.04968	19.7
95.06030	1.6
95.08054	1.1
95.08607	14.2
96.05322	0.9
96.06847	1.0
97.02859	1.0
97.06538	1.1
97.07659	1.1
98.97581	2.2
99.04475	1.5
100.02483	20.4
103.05466	20.4
105.03392	5.0
105.04514	3.0
105.07028	21.3
105.79166	1.0
107.04289	1.5
107.04961	20.7
107.08595	49.8
108.05617	1.2
109.06519	3.9
110.01269	1.6
115.05412	3.1
116.98639	1.9
117.03384	2.4
117.07018	22.1
118.03524	20.1
119.01790	4.0
119.04933	3.2
119.06012	1.0
119.07793	1.2
119.08578	14.5
120.05597	1.1
121.06503	11.2
121.10139	19.7
121.51988	1.4
121.96703	0.8
122.06021	0.9
122.07197	4.8
123.04050	2.2
123.07966	2.5
127.03905	1.6
128.02307	3.7
130.07785	6.0
130.52531	2.1
131.04929	26.3
132.05322	1.0
132.08067	2.0
133.02838	15.9
133.10117	2.2
134.99690	2.3
135.04433	21.3
135.05417	1.1
135.08066	8.6
135.11691	22.5
136.07626	1.9
136.08681	2.3
139.53090	2.2
141.05075	3.1
142.03397	1.7
143.08554	1.8
145.02832	1.9
145.06485	6.4
145.10115	33.0
146.07077	1.8
146.10457	1.1
146.99663	1.1
147.04373	1.1
158.01271	1.5
158.99690	1.3
163.03906	100.0
163.07553	17.9
163.09833	4.8
163.11163	71.0
163.14818	14.2
164.03369	3.2
164.04433	2.1
164.07004	4.3
164.10561	1.7
164.11745	1.3
177.00732	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42847	0.5
53.03941	2.7
55.01869	1.8
55.05511	6.7
56.96537	0.6
57.03435	1.3
57.07084	3.1
59.05013	1.1
61.02921	0.7
65.03933	0.8
67.05499	2.4
68.05001	0.7
69.03429	5.3
69.07067	10.0
70.55481	1.3
71.04987	1.1
76.66148	0.5
77.03964	0.9
79.05491	16.4
80.05008	0.6
81.03426	1.5
81.04537	1.9
81.07050	8.7
82.05335	1.2
83.04984	1.5
83.06137	0.6
83.08623	2.7
85.02906	2.0
89.06044	1.6
91.05476	21.3
92.80779	0.6
93.04482	0.7
93.07038	45.3
95.04967	11.4
95.06079	1.8
95.08595	4.7
96.06849	0.8
97.07646	1.0
99.04463	0.8
100.02489	2.1
103.05457	20.3
104.05775	0.9
105.03387	1.9
105.04542	2.9
105.07027	22.6
106.07306	0.7
107.04950	7.9
107.08589	100.0
108.05612	1.6
108.08189	0.9
108.08924	1.6
109.06520	4.7
109.07644	1.4
109.10158	1.2
110.01291	0.6
113.20241	0.6
115.05453	1.8
117.03396	0.7
117.05653	0.6
117.07008	8.2
118.03513	1.9
119.01813	0.8
119.04945	0.9
119.06067	1.6
119.08574	13.7
120.05598	1.1
120.09357	2.4
121.06493	6.4
121.10136	36.5
122.07165	4.1
122.09634	0.7
122.10446	0.8
123.08009	2.4
128.06165	0.5
129.06975	0.9
130.06541	0.8
130.07780	4.3
131.04922	25.2
132.05296	0.8
132.08113	1.1
133.02859	6.4
133.06566	0.6
133.10158	1.0
135.04419	7.6
135.08078	5.8
135.11682	91.1
136.07552	1.6
136.08681	2.0
136.12057	2.5
137.09641	0.7
143.08597	0.9
145.03960	0.9
145.05067	0.5
145.05450	0.6
145.06480	4.2
145.10114	15.9
146.07103	1.7
147.09164	0.6
148.08804	1.3
156.66570	0.6
163.03899	33.4
163.07545	13.5
163.09784	6.7
163.11147	45.0
163.14818	14.9
164.04427	1.3
164.06932	2.6
164.11603	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	163.1117
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
50.42847	0.5
53.03941	2.7
55.01869	1.8
55.05511	6.7
56.96537	0.6
57.03435	1.3
57.07084	3.1
59.05013	1.1
61.02921	0.7
65.03933	0.8
67.05499	2.4
68.05001	0.7
69.03429	5.3
69.07067	10.0
70.55481	1.3
71.04987	1.1
76.66148	0.5
77.03964	0.9
79.05491	16.4
80.05008	0.6
81.03426	1.5
81.04537	1.9
81.07050	8.7
82.05335	1.2
83.04984	1.5
83.06137	0.6
83.08623	2.7
85.02906	2.0
89.06044	1.6
91.05476	21.3
92.80779	0.6
93.04482	0.7
93.07038	45.3
95.04967	11.4
95.06079	1.8
95.08595	4.7
96.06849	0.8
97.07646	1.0
99.04463	0.8
100.02489	2.1
103.05457	20.3
104.05775	0.9
105.03387	1.9
105.04542	2.9
105.07027	22.6
106.07306	0.7
107.04950	7.9
107.08589	100.0
108.05612	1.6
108.08189	0.9
108.08924	1.6
109.06520	4.7
109.07644	1.4
109.10158	1.2
110.01291	0.6
113.20241	0.6
115.05453	1.8
117.03396	0.7
117.05653	0.6
117.07008	8.2
118.03513	1.9
119.01813	0.8
119.04945	0.9
119.06067	1.6
119.08574	13.7
120.05598	1.1
120.09357	2.4
121.06493	6.4
121.10136	36.5
122.07165	4.1
122.09634	0.7
122.10446	0.8
123.08009	2.4
128.06165	0.5
129.06975	0.9
130.06541	0.8
130.07780	4.3
131.04922	25.2
132.05296	0.8
132.08113	1.1
133.02859	6.4
133.06566	0.6
133.10158	1.0
135.04419	7.6
135.08078	5.8
135.11682	91.1
136.07552	1.6
136.08681	2.0
136.12057	2.5
137.09641	0.7
143.08597	0.9
145.03960	0.9
145.05067	0.5
145.05450	0.6
145.06480	4.2
145.10114	15.9
146.07103	1.7
147.09164	0.6
148.08804	1.3
156.66570	0.6
163.03899	33.4
163.07545	13.5
163.09784	6.7
163.11147	45.0
163.14818	14.9
164.04427	1.3
164.06932	2.6
164.11603	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	163.0964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02372	0.8
53.03953	3.9
54.03465	1.0
55.01859	1.8
55.05515	11.5
56.96550	1.5
57.03440	19.3
57.07079	28.2
59.04996	2.1
59.06120	0.8
61.02923	2.0
64.20202	0.7
65.03938	1.2
67.05511	8.7
68.05022	3.1
69.03440	7.0
69.07070	24.8
69.82388	5.4
71.04980	3.0
73.02930	1.2
75.47948	0.7
77.03918	1.0
79.05054	1.4
79.05493	19.8
80.05004	1.0
81.03409	1.5
81.04549	4.1
81.07062	14.6
82.05294	1.2
83.06104	1.8
83.08624	6.8
85.02904	4.2
85.06545	23.3
87.04488	0.9
89.03922	2.7
89.06011	1.5
91.05487	15.6
93.04501	0.9
93.07047	34.1
95.04965	12.5
95.06068	4.3
95.08616	14.3
96.06876	1.9
97.02914	1.1
97.07664	1.4
99.04484	1.1
100.02486	2.9
101.06008	2.6
103.05469	13.1
103.07584	40.5
104.05788	0.8
105.03399	2.1
105.04520	2.7
105.07031	13.1
107.04953	7.9
107.06081	2.5
107.08599	100.0
108.05586	3.2
108.09425	1.8
109.06511	3.3
109.07639	2.5
109.10139	4.5
110.06028	0.9
116.98624	0.8
117.03374	3.2
117.07011	4.6
118.03526	2.1
119.01766	1.0
119.04934	2.4
119.06084	2.1
119.08566	6.8
120.05576	3.2
121.06499	3.1
121.10148	63.8
121.96710	1.3
122.07166	7.8
122.10429	1.0
123.07962	5.6
125.25314	0.9
127.07526	2.2
130.06558	1.2
130.07642	0.9
131.04933	16.9
131.07034	1.0
133.02864	6.3
133.10127	1.2
135.04424	12.7
135.08061	6.4
135.10678	1.6
135.11696	25.2
136.07582	3.9
136.08688	6.7
137.07080	1.0
145.02835	2.1
145.03943	1.2
145.06487	1.9
145.10130	5.3
146.06042	0.9
146.07097	3.3
146.41350	0.9
163.03911	56.8
163.07565	14.1
163.09781	16.0
163.11183	15.9
163.12477	1.2
163.14828	50.0
164.03317	1.4
164.04489	1.4
164.07068	2.7
164.08244	1.2
164.15253	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	163.0867
Annotation	5-methoxy-6-methylbenzimidazole
Peak:m/z	Relative Intensity
53.03934	0.9
55.01870	1.1
55.05512	1.0
56.05035	0.3
56.96559	2.6
57.03431	1.6
57.07057	0.6
58.02932	0.2
58.06577	0.3
59.06118	0.3
60.04510	0.7
60.95852	0.3
61.00879	0.2
61.01152	2.8
61.02918	1.3
62.92981	0.9
63.92936	0.4
65.03937	0.3
67.05499	0.5
68.05022	0.4
68.88168	0.2
69.03426	3.6
69.07061	0.4
70.06570	0.6
70.79243	0.5
70.79584	0.3
71.01355	0.3
71.04977	0.7
72.04530	0.3
72.08146	1.2
73.02921	1.2
74.06071	0.4
75.02701	2.0
75.28478	0.2
78.95284	1.1
79.05495	1.9
79.45178	0.2
80.05015	0.5
81.03413	1.2
81.04539	0.7
81.07048	0.6
82.05334	0.2
82.06549	0.2
83.01368	0.2
83.04955	0.5
83.06093	0.6
84.08141	0.6
85.02905	7.4
86.06059	0.2
87.04446	0.7
88.03924	0.3
89.03897	0.4
89.06027	0.5
91.03917	0.3
91.05472	1.8
92.04990	0.9
93.04474	0.3
93.07066	1.0
95.04964	1.6
95.06074	0.7
95.08619	0.4
97.02341	0.3
97.02896	2.1
97.07661	0.5
98.97550	1.1
99.04462	1.2
99.05554	0.3
100.02460	0.6
100.07642	0.2
101.02373	0.3
102.96854	0.4
103.02187	0.2
103.05482	1.2
105.03371	0.7
105.04488	0.3
105.07014	0.9
106.06535	0.4
107.04956	2.3
107.06087	0.5
107.08580	1.5
108.05571	0.4
109.02918	0.4
109.07607	0.3
110.01276	0.7
111.07334	0.2
115.03923	0.4
116.98615	0.9
117.03343	0.2
117.05547	0.8
117.07011	0.8
118.03507	0.6
118.05064	0.2
118.06535	1.2
119.01791	0.7
119.04958	0.5
119.06042	0.5
119.08590	0.3
119.97858	0.4
120.08141	0.3
120.97932	0.5
121.01647	0.5
121.06499	0.9
121.10125	1.0
121.96640	2.3
122.07146	1.2
122.94199	0.3
123.04395	0.2
123.07973	0.9
127.03903	0.9
128.02272	0.5
130.06540	0.5
130.52560	0.4
131.04936	2.1
132.08075	0.9
133.02846	2.1
133.07610	11.6
134.07912	0.4
134.99643	0.9
135.04414	4.0
135.08023	1.1
135.11668	0.4
136.07549	1.1
136.08688	1.1
138.98926	0.4
139.01796	0.4
139.02740	0.4
145.02879	0.5
145.03963	0.4
145.06483	1.1
145.07594	14.0
145.09996	0.9
146.04408	0.2
146.05995	1.0
146.07129	0.6
146.08257	1.2
146.99663	0.2
152.38399	0.2
158.96303	0.7
163.03925	16.1
163.08659	100.0
163.14796	0.7
163.96880	0.3
164.03409	0.7
164.04579	0.3
164.07057	0.8
164.09082	3.0
181.02905	0.4
181.97878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1125
Annotation	L-Carnitine
Peak:m/z	Relative Intensity
50.69044	0.4
55.01865	0.8
55.05512	2.4
56.05037	0.7
56.96564	6.4
57.03436	4.8
58.06589	1.4
59.07369	0.6
60.04512	0.4
60.08161	31.0
60.21521	0.4
61.02921	0.9
67.05497	0.5
69.03410	1.6
70.06595	2.5
70.85341	1.2
71.04966	0.9
72.08137	0.5
73.02919	5.1
73.06543	1.7
74.06065	0.9
79.09194	0.4
81.03420	0.7
81.07037	1.4
83.00782	0.7
83.08629	2.0
84.04502	1.2
84.08125	1.7
84.96044	0.7
85.02903	19.7
85.06538	2.3
86.01273	0.5
86.06055	0.5
86.67578	0.4
90.05552	1.0
92.01301	0.8
94.51571	0.4
96.01539	1.4
97.02893	1.3
97.99209	0.8
98.01303	0.8
98.06043	2.1
98.09675	0.6
98.97585	7.2
99.02072	0.7
99.04465	0.7
102.05544	1.3
102.09177	16.5
102.51340	0.4
102.96873	1.2
103.03940	40.1
103.05427	1.2
104.01243	0.5
104.04266	0.6
105.02060	0.7
109.06535	0.5
109.52052	0.5
110.01291	4.8
110.97551	0.9
114.69034	0.4
116.07099	1.1
116.10717	1.7
116.98613	5.3
119.01794	5.7
120.01979	0.4
120.06573	1.2
120.97905	1.2
121.05018	0.5
121.52100	1.0
126.09143	1.4
127.01566	1.0
127.03922	0.8
128.02315	5.3
128.98611	1.0
130.52585	1.6
131.01897	0.5
131.04933	1.6
133.02834	0.5
133.07576	0.6
134.05984	0.4
134.99635	2.5
135.04425	1.0
138.98889	0.8
139.53096	1.9
140.00182	1.6
144.06526	1.0
144.10185	0.9
146.99614	1.1
151.03932	0.7
158.01251	2.8
162.05496	1.1
162.11249	100.0
162.99130	0.4
163.03900	2.5
163.07547	0.6
163.08693	3.4
163.11562	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	162.0551
Annotation	Jineol
Peak:m/z	Relative Intensity
53.03937	1.5
55.01855	0.9
56.05025	1.6
56.96568	3.7
57.03425	1.2
58.06591	0.8
59.06110	2.2
60.04544	1.1
60.08169	0.6
62.92986	1.2
65.03938	0.6
67.05486	0.8
68.05025	0.9
69.03422	1.5
69.85837	1.2
69.86246	2.6
70.06588	0.7
71.04985	0.8
72.04502	1.6
72.08165	0.6
73.02917	0.9
74.06081	4.0
75.05591	0.7
79.05500	3.2
79.99883	0.5
80.05026	0.8
81.03405	1.2
81.04542	1.2
83.06099	1.1
84.04511	1.2
85.02895	2.4
85.07649	0.7
86.06085	0.7
87.05609	2.7
89.03922	1.6
91.05488	2.3
92.01303	0.8
93.07036	1.9
95.04979	2.7
95.06112	0.9
97.02895	0.8
97.07652	0.7
98.06028	1.1
98.97565	1.1
101.00766	0.7
101.07146	1.0
102.05530	2.4
102.96848	1.1
103.03929	1.2
103.05469	4.7
103.52055	0.6
105.03368	1.1
105.07014	1.3
106.06563	1.6
106.07355	1.8
107.04970	2.7
107.06060	1.0
107.08583	0.7
108.05587	0.7
109.07671	0.7
110.01238	1.0
115.05428	0.8
116.04967	1.8
116.07070	1.8
116.98627	1.1
117.03365	1.0
117.05633	0.7
117.06637	1.7
118.06530	0.9
119.01803	1.4
119.04937	0.8
120.04465	3.0
120.05701	1.0
120.06580	2.6
120.08114	3.7
120.96500	0.7
120.97903	2.4
121.00778	0.8
121.06461	1.5
121.07683	0.5
121.10164	0.6
121.96616	1.5
122.07169	1.3
123.07929	1.5
128.02296	1.6
131.04933	5.6
133.02832	3.2
134.03714	0.7
134.05984	2.1
134.06857	1.3
134.99658	1.6
135.04430	5.6
135.05409	1.0
135.08095	1.2
135.09062	0.5
136.08664	1.0
136.64453	0.5
138.98961	3.1
139.01796	2.8
139.02754	0.6
139.52975	2.4
144.04427	1.5
144.06566	1.2
145.06422	0.7
145.09842	1.3
146.07085	0.6
148.53465	0.9
156.96089	0.6
157.00044	1.1
158.01352	1.2
162.05502	100.0
162.08957	4.0
162.11267	2.4
162.13684	0.8
163.03906	22.1
163.05893	2.0
163.07420	3.1
163.09781	2.8
163.11151	1.3
177.00682	0.6
181.02835	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03938	1.0
55.01868	0.9
55.05510	6.1
56.96561	0.7
57.03416	0.6
63.26671	0.5
67.05512	2.9
69.03439	1.2
69.07070	7.5
71.58579	0.8
71.58981	0.8
73.02897	0.7
74.06075	1.0
75.40389	0.5
79.05490	4.9
81.07052	7.5
87.05618	0.7
91.05479	13.5
93.07051	3.7
95.04998	1.3
95.08623	0.9
98.01810	0.6
99.04455	0.6
101.02356	0.5
103.05457	2.3
105.03404	1.4
105.07030	64.0
106.07336	1.3
107.06078	0.6
107.08586	1.7
114.50686	0.5
115.04009	0.6
115.05484	2.6
117.07006	4.6
118.04160	1.1
118.06522	0.7
119.08581	100.0
120.05604	1.3
120.06603	0.7
120.08110	1.1
120.08912	2.6
121.06387	2.4
121.10157	1.1
127.88956	0.7
128.06232	0.9
131.08574	4.9
133.06485	5.8
133.10132	29.4
134.07059	1.2
134.10445	0.9
143.08586	2.6
144.06554	0.7
145.10083	1.1
146.03592	0.9
146.07266	1.3
146.10939	2.1
159.11729	1.7
161.05998	6.0
161.08180	1.9
161.09615	16.3
161.13260	68.2
162.05478	2.2
162.07703	0.6
162.09035	1.1
162.13606	1.7
172.08499	0.5
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
51.02388	0.8
51.39497	0.5
53.03944	1.7
55.01870	4.0
55.05510	10.6
56.05039	1.0
56.96563	0.8
57.03441	1.3
58.06579	0.6
58.99585	1.8
59.06119	1.6
60.04520	1.7
67.05502	2.6
69.03429	2.8
69.07067	11.9
70.06588	0.6
71.58228	1.0
71.61359	0.5
72.08170	0.8
73.02895	0.6
73.11479	0.5
74.06078	1.7
76.04001	0.8
77.03903	0.5
78.93125	0.7
79.05492	9.7
81.04533	0.8
81.07050	5.9
83.04999	1.0
84.04494	1.3
85.02896	1.5
85.07668	1.3
86.06089	0.7
86.99043	0.8
87.05587	1.5
88.02219	1.6
90.04708	0.8
91.05479	14.7
92.02634	0.9
93.04548	2.5
93.07038	4.9
95.04987	3.0
95.08607	1.0
97.02915	1.0
98.06041	0.8
99.04445	0.8
100.07622	0.6
101.06010	0.6
101.07137	1.8
102.05524	1.2
103.03920	0.8
103.05458	10.2
105.03392	1.5
105.07027	100.0
106.06609	1.2
106.07362	3.1
107.04949	0.8
107.06074	1.3
107.08578	2.9
113.02371	1.0
115.05442	14.4
116.01675	2.2
116.05775	1.0
117.07059	5.1
118.04174	7.4
119.08578	97.4
119.95722	0.7
120.05587	2.8
120.06523	0.8
120.08086	2.2
120.08937	2.4
121.06397	4.0
121.10120	2.6
125.40504	0.5
128.06194	2.2
131.04936	2.6
131.08589	6.0
132.05760	0.6
132.09383	1.2
133.06490	28.9
133.10124	41.4
134.06056	0.8
134.07047	3.5
134.10461	0.8
137.96759	0.9
138.06657	0.8
138.98978	0.7
143.03383	0.9
143.04942	0.8
143.06050	1.9
143.08563	3.5
144.09271	0.6
145.06471	0.9
145.10141	1.1
146.03627	1.7
146.07248	2.2
146.10913	2.6
159.11678	3.0
161.04591	1.2
161.05972	14.8
161.08206	4.8
161.09616	18.4
161.13249	79.8
162.05385	3.1
162.06648	0.8
162.07735	0.9
162.09132	1.8
162.11343	0.8
162.13626	2.9
162.14769	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.5
55.05505	0.3
56.96563	0.2
58.50376	0.2
65.03933	0.2
66.59887	0.2
67.05488	0.3
69.03432	6.0
69.47908	1.5
79.05482	0.7
91.05482	2.5
93.07047	1.1
94.06955	0.2
94.32101	0.2
95.12433	0.2
103.05464	0.3
105.07034	10.0
106.07347	0.4
107.04962	0.4
107.08618	0.2
115.05451	0.7
117.07038	0.8
118.07787	0.3
119.04926	0.3
119.08591	1.6
121.06482	0.8
128.06236	3.3
131.04916	0.8
131.08578	0.8
132.05724	0.8
133.06517	1.2
133.10129	5.3
143.08559	6.2
144.08919	0.3
145.06491	2.7
146.07274	3.9
154.61131	0.2
159.08052	3.3
161.09621	100.0
162.05496	0.3
162.09979	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	161.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01867	0.5
55.05506	0.7
64.00623	0.3
67.05508	0.4
69.03427	7.5
69.07059	0.3
79.05483	0.7
81.07056	0.4
91.05487	3.7
93.07039	2.3
95.04983	0.3
103.05491	0.4
105.07033	28.7
106.07381	0.8
107.04958	1.8
115.05466	1.0
115.92124	0.3
116.06258	0.3
117.07045	1.5
118.07816	0.4
119.04902	0.6
119.08586	5.0
121.06506	9.9
122.06814	0.5
128.06230	5.7
131.04062	0.3
131.04887	1.9
131.08568	1.2
132.05725	1.2
133.06512	2.2
133.10130	19.1
134.05986	0.4
134.10483	0.8
143.08562	9.5
145.06487	2.2
146.07271	18.6
147.07629	0.9
149.74202	0.3
159.08075	1.2
161.09621	100.0
161.13193	3.9
162.05447	0.5
162.09990	4.3
178.04974	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96574	2.5
58.96166	0.4
59.06111	1.3
60.04534	0.4
71.02968	0.6
71.05869	0.9
82.99841	1.0
84.04542	0.4
85.07693	0.4
98.97584	3.1
99.97924	1.5
100.02486	2.6
100.97177	1.6
100.98000	1.8
101.00874	14.4
101.07114	0.6
101.95023	0.6
102.05527	0.5
103.02443	0.5
105.53452	0.8
107.05306	0.6
111.04429	0.5
116.05785	1.4
116.98624	3.4
117.98967	1.5
118.03528	4.9
118.98208	2.8
118.99058	2.0
119.01921	100.0
120.02012	2.1
120.03260	0.6
121.01643	0.6
124.02433	2.9
134.99673	2.5
136.00003	0.9
136.02719	0.8
136.04553	5.1
136.99275	2.0
137.00142	1.5
137.02954	45.1
138.03085	0.6
142.03500	60.9
143.03659	2.8
153.00784	0.5
154.59149	0.4
155.00238	0.4
160.04559	50.2
161.02975	2.3
161.04697	1.9
165.05066	2.3
178.05609	14.6
179.03975	4.0
179.05295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0598
Annotation	2,3-Dihydroxynaphthalene
Peak:m/z	Relative Intensity
51.02391	0.3
53.03947	1.4
55.01875	4.4
55.05509	1.8
56.05020	0.3
56.96569	0.4
58.99586	0.3
59.06120	0.9
60.04527	0.6
65.03938	0.4
66.04716	1.3
67.05496	0.6
69.03431	0.6
69.07059	2.1
69.55737	0.6
69.56143	2.3
73.02930	0.6
74.06068	0.6
74.83851	0.3
75.80115	0.3
77.03870	0.4
78.93130	0.6
79.05495	15.9
80.05859	0.4
81.03411	0.7
81.04488	0.4
81.07053	0.8
83.06046	0.3
84.04499	0.7
85.02898	0.4
85.07671	0.4
86.06044	0.4
87.04450	0.3
87.05607	0.5
88.02193	0.6
89.03928	0.9
90.04682	2.0
90.71606	0.3
91.05488	6.7
92.02621	0.4
93.04544	0.5
93.07053	1.1
94.04173	0.4
95.04967	3.8
97.02863	0.5
99.04475	0.5
102.04691	0.4
102.05557	0.6
103.05473	19.3
104.05785	0.5
105.03383	0.8
105.07031	100.0
106.07351	2.2
107.04959	1.0
107.08583	0.7
115.05458	23.4
116.05785	1.0
116.07124	0.3
117.06979	0.9
117.40385	0.3
118.04165	15.2
119.01925	0.6
119.05053	0.3
119.08582	17.3
120.05580	0.9
120.08128	0.5
121.06398	1.4
121.10088	0.3
128.06216	1.2
131.04927	4.2
131.08530	1.4
132.05707	1.0
133.06494	51.5
133.10124	8.0
134.06888	1.9
137.02946	0.3
143.04993	0.6
143.06027	4.0
143.08537	2.0
144.04514	0.3
146.03654	0.6
146.07251	1.0
146.10931	0.7
159.11703	0.7
159.81458	0.3
161.04655	0.4
161.05980	15.2
161.08217	1.2
161.09607	7.0
161.13260	16.5
162.05484	1.0
162.06627	0.4
183.38132	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
51.49319	0.4
55.01849	0.4
56.96564	0.7
67.05511	2.7
67.05810	0.6
67.88087	0.4
71.04980	0.9
71.19062	0.7
71.19384	0.5
72.04509	0.7
76.92865	1.6
76.93360	2.3
79.05492	0.5
81.07061	0.6
84.98109	0.4
85.02908	0.6
86.06081	0.5
91.05477	5.6
94.94395	1.0
95.04961	0.4
97.50579	0.4
98.97588	0.6
100.03979	0.4
103.05459	0.6
105.07029	15.6
106.07440	0.5
111.73209	0.4
112.95450	0.5
113.02347	1.1
113.06039	0.9
114.05535	0.5
115.05447	1.9
116.06231	1.5
116.98622	1.1
117.06221	0.7
117.07017	13.0
117.95988	3.3
118.06546	0.9
118.07278	0.5
119.08576	8.3
120.08954	0.4
128.06232	1.5
129.07013	10.7
130.07794	3.5
131.04889	0.5
131.08571	24.6
132.06578	0.6
132.08925	0.8
134.99637	1.4
135.97023	3.6
141.01831	5.5
142.07771	1.5
143.08595	1.8
144.05661	1.4
144.09363	22.7
145.06436	0.5
145.09958	0.4
151.27911	0.4
154.96562	0.4
157.10150	3.9
158.98601	1.0
159.02957	0.6
159.08101	9.3
159.11691	100.0
159.15797	1.3
160.07455	0.6
160.12050	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	159.1168
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
53.03963	0.5
54.25288	0.4
55.01863	0.7
55.05511	1.2
56.96565	6.6
56.97064	0.4
57.03439	1.8
58.07436	0.5
62.51936	0.5
66.82320	0.6
67.05511	3.9
69.03445	0.8
69.07057	0.6
70.06557	0.7
71.05006	1.9
71.59493	0.4
71.59991	0.8
74.06115	0.6
76.92928	1.0
76.93367	5.8
79.05501	1.5
81.07056	1.7
82.06548	0.6
83.04966	1.0
85.02899	1.0
91.05480	13.1
91.69962	0.5
93.07067	1.4
94.94382	2.6
95.04964	0.9
96.04511	0.5
97.99165	0.7
98.97585	1.6
99.04471	0.7
99.05534	0.7
102.66223	0.5
103.05477	0.9
104.03073	0.7
105.07032	16.0
113.02375	1.8
113.06024	1.4
113.07919	0.8
114.05531	1.1
115.05447	3.8
116.06252	1.4
116.98627	2.5
117.07017	25.0
117.95999	4.1
118.06528	2.2
118.07304	0.9
119.08577	7.9
126.55350	0.6
128.06250	0.9
129.06998	12.5
130.07785	13.0
131.08566	67.7
132.08017	1.2
132.08899	1.9
134.99652	3.1
135.96989	4.9
137.05386	0.7
141.01852	6.4
141.05516	0.6
141.06953	0.7
142.07758	1.2
143.08574	1.3
144.09338	17.1
145.09674	1.2
151.75114	0.5
153.00697	0.8
157.10153	3.5
158.98624	1.4
159.02899	0.6
159.04352	0.7
159.08102	4.0
159.11685	100.0
160.06143	0.6
160.07562	1.3
160.09761	0.8
160.12033	4.1
164.04185	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.9
55.05516	6.2
56.05037	9.9
56.96294	1.0
56.96565	18.1
57.03439	16.6
57.04553	1.1
57.07057	2.7
57.93570	1.4
58.02954	1.4
58.06606	4.9
59.06124	13.3
60.04526	26.4
67.05504	4.0
68.05011	2.8
69.03436	1.4
69.04571	0.9
69.06773	0.8
69.07070	8.9
70.06601	10.6
71.04974	2.7
71.06094	3.3
71.18482	1.7
71.95246	1.9
72.04499	2.9
72.05636	0.8
72.08139	1.6
73.04045	1.1
74.06078	6.5
74.93839	1.5
75.05597	3.2
76.03990	1.5
76.93372	6.9
79.05503	5.4
80.05002	0.9
81.04519	2.3
81.07061	30.8
82.02937	1.3
82.06595	10.2
82.07366	1.2
83.04990	6.3
83.06095	7.9
84.04507	5.7
84.08146	4.0
85.02891	1.8
85.03999	0.8
85.06529	1.6
85.07645	2.1
86.06067	4.1
86.08427	1.2
86.09708	7.8
87.05592	27.9
88.07609	1.3
93.07024	1.3
94.06595	1.0
94.94414	1.1
95.04962	2.9
95.06065	3.4
95.08619	8.1
96.04497	1.3
96.08108	1.4
97.02884	0.9
97.03972	0.8
97.06507	3.0
97.07644	2.7
98.06083	5.3
98.07175	6.1
98.09694	24.3
98.97586	58.9
99.04453	2.9
99.05589	9.8
99.07482	1.5
99.08099	25.1
99.09120	1.1
99.97896	0.9
100.03973	2.8
100.07623	14.3
101.07121	1.9
102.05521	0.9
102.09174	2.7
103.05447	1.1
105.07039	1.2
110.07146	2.8
111.05572	1.3
111.07959	1.5
111.09188	2.0
112.07629	7.9
112.11233	2.0
113.02424	1.1
113.05980	2.1
113.07132	4.2
113.09654	0.9
114.05504	1.2
114.09167	0.8
115.04971	0.9
115.08674	1.8
116.07075	4.4
116.08213	0.9
116.10725	5.3
116.97227	5.1
116.98622	82.5
117.06636	3.3
117.95999	4.5
122.09639	1.3
123.05520	1.9
123.08040	2.9
128.10716	7.7
130.06544	4.9
130.08623	0.9
131.04926	1.7
131.08508	1.5
131.70992	0.8
134.99660	100.0
135.96974	5.1
136.00002	1.3
140.00203	2.9
140.07033	2.5
140.08138	3.1
140.10696	7.0
140.11627	1.3
141.01810	3.5
141.05652	0.8
141.06586	4.7
141.09128	1.8
141.10228	2.5
152.96944	2.6
153.00713	24.1
158.01265	9.5
158.06030	9.0
158.08101	4.3
158.09555	21.7
158.11754	29.9
158.12860	1.6
158.15395	5.1
159.07803	3.2
159.11708	3.4
176.02327	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	158.0127
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10208	1.0
56.96567	15.2
70.39730	4.6
71.95259	2.4
73.02908	1.3
84.91172	1.2
85.50014	1.2
98.97588	41.9
116.98622	57.7
119.01938	1.8
125.82739	1.2
126.03402	2.1
131.02007	1.4
134.99660	100.0
136.00125	3.5
140.00162	2.8
152.44670	1.0
153.00720	26.5
158.01289	10.3
158.04068	2.2
176.02319	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0813
Annotation	2-Hydroxyethylclavam
Peak:m/z	Relative Intensity
53.03945	0.6
54.19893	0.5
55.01866	3.9
55.05510	1.3
56.05022	1.8
56.11824	0.5
56.96291	0.8
56.96567	14.1
57.03436	1.2
57.93545	0.9
58.02958	0.7
58.06593	0.8
59.06128	4.3
59.43871	0.6
60.04512	2.4
67.05494	1.6
68.05022	2.2
69.03421	4.1
69.07056	2.3
70.06596	16.2
70.90419	1.9
71.04985	1.3
71.06119	1.2
71.95262	1.9
72.04512	2.4
72.08168	1.3
74.06083	0.8
75.05605	1.2
75.94588	0.5
76.93352	1.6
81.03410	1.6
81.04535	1.0
81.05812	1.0
82.02939	0.7
82.06578	0.6
83.04987	1.0
83.06108	3.8
84.04514	6.0
84.08131	2.5
85.02896	1.3
85.07664	1.3
86.06056	1.2
87.04472	4.6
87.05585	10.0
88.07606	1.0
94.06568	16.6
95.06089	1.5
95.07353	5.2
95.08593	0.8
96.04494	17.4
96.08128	6.9
97.02876	1.8
97.07614	0.9
98.02444	0.6
98.06060	14.8
98.07156	1.7
98.97584	62.9
99.04440	1.6
99.05577	3.3
100.03974	0.8
100.07612	1.1
101.07163	1.1
102.05544	1.3
102.09221	0.8
110.07240	0.8
112.07609	14.3
112.55737	0.8
113.07134	1.7
114.05531	19.1
116.07099	3.7
116.97240	4.0
116.98618	75.4
117.06615	1.5
117.95998	1.1
119.07333	1.4
122.06019	5.6
123.05575	0.7
126.00723	0.7
130.06543	0.8
131.01962	0.7
132.08061	2.0
134.99660	71.2
135.96991	1.2
136.00008	0.6
138.05470	1.4
140.00183	2.8
140.07063	100.0
140.10667	1.7
141.01874	1.1
141.06577	1.6
141.07420	2.6
141.10147	1.0
142.06421	0.6
147.05806	1.9
149.06651	1.6
152.96951	1.6
153.00710	13.8
156.06334	0.6
158.01251	6.1
158.08127	42.0
158.09541	8.7
158.11679	1.2
158.12868	0.8
158.15436	3.0
159.09209	1.8
176.02335	1.4
177.00719	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.1223
Annotation	4-Hydroxynonenal
Peak:m/z	Relative Intensity
51.59663	0.7
53.03936	0.9
55.01860	2.7
55.05511	25.8
56.05036	1.3
56.05832	0.7
56.96559	12.8
57.03422	2.0
57.04568	0.6
57.07065	2.4
57.93533	0.7
58.05347	0.8
58.06593	1.3
59.04998	5.2
59.06124	3.7
60.04517	1.4
65.03957	0.8
67.05500	9.2
69.03424	9.4
69.07065	47.1
70.06593	5.5
70.07386	1.3
70.71764	1.6
70.72123	1.0
71.04982	2.1
71.06106	0.9
71.08621	0.8
71.95232	0.9
72.04504	1.1
72.93782	0.9
73.02907	1.8
73.04037	1.0
73.93812	0.7
74.93828	12.9
79.05492	13.1
81.03437	0.8
81.07056	8.8
83.04979	8.4
83.08614	4.0
84.04561	0.7
84.08136	1.3
85.02896	1.6
85.06533	0.9
86.07139	0.7
86.09705	2.7
87.04456	0.6
87.05583	6.8
88.69615	0.5
91.05481	5.5
92.94852	4.0
93.07041	32.3
94.07375	1.0
95.04971	4.8
95.08604	46.1
96.08893	0.7
97.02901	4.0
97.06528	13.8
97.10168	20.0
97.99174	0.9
98.06056	2.4
98.07185	2.3
98.97576	8.7
99.04430	0.9
99.05579	2.9
99.08115	0.8
100.07594	1.3
102.09191	1.2
103.05470	3.4
105.07027	24.7
106.07861	1.4
109.10144	10.0
110.95842	0.8
111.04453	3.7
111.08057	3.9
111.11733	4.2
112.03999	0.8
112.07617	4.3
114.10296	0.8
115.96438	13.1
116.00217	1.5
116.07046	1.4
116.08198	0.6
116.97231	2.1
116.98617	13.2
119.08578	4.0
121.10138	100.0
121.40547	0.6
122.10475	3.9
123.08089	6.6
128.06216	2.0
129.07013	7.1
130.06505	3.8
133.07625	2.1
133.97459	13.6
134.99661	19.5
139.03908	2.1
139.07521	1.8
139.11168	25.2
140.00183	0.8
140.07047	2.0
140.08141	1.2
140.11499	1.2
141.06984	1.8
141.09096	0.8
142.07782	12.8
143.08591	3.5
150.96829	1.3
151.97049	0.9
153.00685	6.0
156.99104	2.2
157.01314	1.7
157.04967	2.4
157.06401	1.9
157.07639	0.8
157.10078	13.2
157.12213	2.2
158.01266	2.2
158.04810	0.7
158.06039	3.3
158.08124	3.5
158.09630	12.5
158.10829	1.4
158.15428	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	155.143
Annotation	4,6-Dimethyl-4-octen-3-one
Peak:m/z	Relative Intensity
50.82809	1.0
55.05510	11.8
56.96553	4.4
57.03443	2.3
57.07085	6.7
58.39894	1.3
65.03922	1.4
67.05168	1.6
67.05503	19.2
69.03433	1.3
69.07066	37.6
69.43346	2.8
69.43767	8.7
70.95861	2.8
71.04990	5.7
71.08633	53.6
72.08978	1.4
72.93790	87.1
73.93829	1.3
75.48838	1.3
79.05491	3.1
81.03402	1.7
81.07058	22.3
83.04963	2.8
83.08614	2.0
85.02878	3.3
85.06547	45.5
90.94824	16.9
93.07025	4.0
95.04952	4.6
95.08074	1.7
95.08615	25.7
96.05611	1.3
97.06541	1.2
97.10149	1.2
98.98498	2.9
99.04458	1.8
99.08089	28.9
108.95859	4.3
109.06520	3.3
109.10143	11.3
110.06045	2.6
111.04429	2.3
111.11734	1.7
112.08730	2.3
113.05968	2.5
113.96405	45.1
123.04453	1.6
127.03887	2.1
129.68927	1.1
131.97444	48.7
132.95825	2.3
137.06021	1.9
137.09641	3.1
137.13228	1.7
138.05450	1.9
138.06619	1.3
150.96880	4.9
154.99043	6.3
155.03404	3.1
155.07018	7.9
155.08238	3.2
155.14302	100.0
156.06584	2.3
156.08011	1.8
156.14726	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	156.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66931	1.0
55.01863	2.8
56.96559	4.0
57.03431	3.1
60.07439	1.1
61.02922	2.1
69.03422	2.7
69.27274	1.2
69.27674	11.7
73.02917	3.1
74.09722	16.5
75.00339	1.1
83.04981	1.9
84.01555	1.5
85.02890	1.6
92.52740	1.2
93.02087	3.6
96.96909	4.0
97.02912	1.9
100.02479	2.6
103.00609	1.1
103.02351	2.4
105.02076	1.9
110.07178	8.9
111.02071	1.9
117.02074	1.9
118.03544	2.1
119.01886	2.8
121.03472	1.5
123.03032	1.2
126.02560	1.8
130.06314	17.2
131.00150	1.8
132.02003	1.9
132.95872	2.2
133.03499	2.6
133.82439	1.2
137.02972	1.4
139.00266	1.1
149.01204	5.3
150.96921	3.8
151.04510	2.0
156.04214	100.0
156.07715	2.3
156.10152	1.7
157.01347	1.9
157.04675	1.7
167.02275	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	156.102
Annotation	Arecoline
Peak:m/z	Relative Intensity
53.03937	0.8
54.03452	1.0
55.01880	1.7
55.05508	16.8
55.93517	1.7
56.05036	7.1
56.96571	9.5
57.03427	2.5
57.04544	2.0
57.07050	1.0
57.93574	1.0
58.06599	3.8
59.06119	7.3
60.04520	5.9
66.03441	0.8
67.02981	1.6
67.05505	7.6
68.05030	4.8
68.05824	1.5
69.03420	2.9
69.04546	3.5
69.07069	5.9
70.02962	1.6
70.06592	8.5
70.41248	1.4
70.95863	20.7
71.01341	0.7
71.04993	10.1
71.06120	3.4
72.04512	4.3
72.08150	2.5
72.93791	21.6
73.02909	1.0
73.04017	1.1
73.93828	3.2
74.06065	2.8
74.08043	0.7
74.09709	0.8
74.93830	11.8
76.04007	0.8
79.05499	9.9
80.05016	1.4
81.04534	5.1
81.07040	2.7
82.02942	1.8
82.06579	6.3
82.07387	2.0
83.04976	3.5
83.06100	5.8
83.08634	0.9
84.04485	3.5
84.06886	1.1
84.08167	1.3
85.02872	1.0
85.04011	1.5
85.06543	55.0
85.07636	3.0
86.06066	12.8
86.09712	3.9
87.04469	1.4
87.05589	2.4
88.07648	0.9
88.96905	8.4
90.94825	7.8
91.05457	0.9
91.94872	1.2
92.94867	4.2
93.04568	0.8
93.07039	3.1
94.06544	2.8
95.04957	3.8
95.06104	1.6
95.08595	2.5
96.04482	2.7
96.05627	4.8
96.08131	10.5
96.08935	1.0
97.02888	3.1
97.04018	5.3
97.06530	6.7
97.07637	6.2
97.99232	0.9
98.04808	1.8
98.06059	2.6
98.07170	4.7
98.09675	2.3
99.05568	2.3
100.03976	2.2
100.07610	3.1
101.07142	0.9
106.06554	24.8
106.97926	1.6
108.05571	1.6
108.95854	2.3
109.07645	1.9
110.06066	3.7
110.07191	4.3
110.09677	2.6
110.10484	2.1
111.04449	3.5
111.05575	6.1
111.08044	4.9
111.09209	2.8
111.98483	10.9
112.03941	0.9
112.05076	1.0
112.07603	1.9
113.07115	4.0
113.10746	2.5
113.96404	4.2
114.05569	2.0
114.06667	13.4
114.09183	1.1
114.96658	0.9
115.05063	3.4
115.08683	2.5
115.95654	1.4
115.96435	13.3
120.05583	3.0
121.01535	1.6
121.07693	0.8
121.10103	1.0
122.07200	1.1
124.07589	100.0
125.07959	1.8
126.06601	0.9
126.09119	1.6
128.06233	1.2
128.07100	2.6
128.08101	0.7
128.10716	1.4
129.06963	1.4
129.10239	1.6
129.99529	10.2
130.06554	0.8
131.97462	4.4
132.95830	22.1
132.97575	2.4
133.97466	12.7
134.01239	0.8
138.05493	4.2
138.06612	9.4
138.09132	6.4
139.03970	1.3
139.05026	2.1
139.07526	3.9
139.08684	4.8
139.12303	1.2
141.07001	2.2
142.07793	2.8
150.96889	78.4
151.97075	1.6
153.01105	2.3
155.97427	5.6
156.04161	1.4
156.06523	4.0
156.07684	8.9
156.10199	45.9
156.11317	5.2
156.13811	1.5
156.15042	1.4
156.99113	1.4
157.01340	1.4
157.04965	1.5
157.06311	1.4
157.07625	3.0
157.10205	2.8
168.97925	4.8
173.98482	10.3
174.98923	0.8
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	(+)-2,6-Dimethyloct-7-en-4-one
Peak:m/z	Relative Intensity
55.01871	0.8
55.05509	3.9
55.93526	0.7
56.92764	0.7
57.03437	2.3
57.07076	100.0
58.07410	1.2
59.06127	0.9
65.03957	1.1
65.88932	0.7
67.05508	10.4
69.07079	2.1
69.85632	3.0
69.86041	1.1
70.06595	0.8
70.95878	1.5
71.05002	2.2
72.08169	1.0
72.93789	28.9
74.09747	0.6
79.05504	1.4
81.03436	1.6
81.07063	8.4
83.04996	2.5
83.06102	0.7
85.02943	1.3
85.06544	15.4
86.06081	0.7
90.94839	6.2
91.05481	1.3
93.07068	1.3
95.04971	4.0
95.08603	8.8
96.05646	1.5
97.02921	1.1
97.06532	1.3
98.07197	1.3
98.20815	0.9
98.98477	0.9
99.04455	1.6
108.95902	1.2
109.02909	1.5
109.06548	1.7
109.10154	6.0
110.06050	1.2
110.07232	1.6
110.08106	0.6
111.04457	2.3
111.08096	1.0
111.98508	1.0
112.08746	2.2
113.06024	1.8
113.96405	16.2
113.97143	1.0
114.06694	2.1
118.26003	0.7
127.03905	0.8
127.07651	0.7
131.97433	17.0
131.98341	1.2
132.95847	1.7
137.06085	1.4
137.09663	1.8
138.06607	0.9
149.97336	0.6
150.96878	5.7
154.99059	1.1
155.03441	1.9
155.07095	5.5
155.08263	1.3
155.10710	1.1
155.13058	1.2
155.14294	8.8
156.04269	2.4
156.06621	1.1
156.10257	1.3
173.98567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	155.0466
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.3
54.03461	1.0
55.01872	3.9
55.05513	23.3
55.93512	2.6
56.05027	2.7
56.05845	1.2
56.96568	88.3
57.03442	6.1
57.04549	1.3
57.07071	1.4
58.06593	1.7
59.05000	1.4
59.06120	1.9
60.04504	2.9
61.02924	2.6
65.03930	2.8
67.05508	16.3
68.05014	2.6
69.03427	9.3
69.04546	1.5
69.07066	1.8
69.96184	1.9
70.06589	2.6
70.21754	1.1
70.22132	1.4
70.95868	29.0
70.98122	0.8
71.01347	1.0
71.04976	3.1
71.06104	1.3
71.93021	0.8
71.95264	1.4
72.04507	1.9
72.08142	2.1
72.93791	100.0
72.96033	1.8
73.02910	3.7
73.06179	1.0
73.06563	17.7
74.02068	0.7
74.06081	1.2
74.97601	2.4
79.05493	1.7
81.03441	6.0
81.04550	1.6
81.07057	8.2
82.06583	1.7
83.04978	7.7
83.06098	2.3
83.97613	2.3
84.01553	2.7
84.04506	2.2
84.08139	3.4
84.96058	1.0
85.02905	9.2
85.06525	2.1
85.07655	1.2
86.06066	1.8
87.04465	1.6
88.96898	10.4
89.00781	2.3
90.94830	31.5
91.00497	1.5
91.05466	2.0
93.02084	1.4
93.03329	0.9
93.04529	0.9
93.07034	1.6
94.06560	1.4
95.01358	1.1
95.04974	6.9
95.06081	2.4
95.08604	4.4
96.04540	1.2
96.05602	2.4
97.02888	8.8
97.03923	1.6
97.06480	2.0
97.07639	2.2
97.99173	2.0
98.01307	2.7
98.07175	1.9
98.09673	1.2
98.97575	21.6
98.98500	4.7
99.04462	4.7
99.05565	1.5
100.01002	1.0
100.02511	1.7
101.98653	1.2
102.03323	0.9
104.01289	1.1
105.02043	1.6
106.01044	3.8
106.02766	1.1
106.97947	1.6
108.95878	7.4
109.02894	6.9
109.06520	4.9
109.07648	2.5
109.10156	7.4
109.52039	1.2
110.01254	0.9
110.06053	3.9
110.07153	2.9
110.07935	1.2
110.09653	1.2
110.97540	1.3
111.02032	1.0
111.03870	1.3
111.04471	10.8
111.05570	1.2
111.08047	1.3
111.09246	0.9
111.98479	15.1
112.01004	3.2
112.07670	1.0
112.08752	0.9
113.06004	5.2
113.08245	1.9
113.96404	46.6
113.98640	6.6
114.05489	1.2
114.06683	4.6
116.00188	1.3
116.03088	1.6
116.98621	15.7
117.51836	1.1
118.03557	0.9
119.01825	4.8
119.03625	1.4
119.97330	2.6
120.00743	3.4
120.05605	1.4
121.01560	5.0
122.03065	0.9
123.04471	1.4
123.51804	1.0
125.03625	1.6
125.07184	1.0
126.04418	1.5
127.03938	9.0
127.07565	3.9
127.08674	1.4
128.02316	2.8
128.08205	0.8
128.97781	6.4
128.98618	2.3
129.01306	1.2
129.02213	1.0
129.99503	11.3
131.00168	1.7
131.01842	1.2
131.97446	55.8
131.99680	27.9
132.52368	1.3
132.95839	26.4
132.97414	1.0
133.03520	0.9
134.01248	1.7
134.99634	9.1
136.93048	1.2
137.02309	1.7
137.05931	2.2
137.07069	1.9
137.08101	1.2
137.09503	0.8
137.98369	12.3
138.05513	2.1
138.06609	2.9
139.04974	0.9
140.48628	1.9
141.01212	0.9
142.03508	1.1
143.00121	0.9
146.04121	1.7
146.99756	3.9
147.03278	8.5
149.01219	1.1
149.49165	3.3
149.97246	9.9
149.98373	1.2
150.00749	36.8
150.96898	93.9
153.00912	1.4
154.90698	1.3
154.99022	5.1
155.01291	1.5
155.03378	8.1
155.04649	25.6
155.07056	15.9
155.08173	3.6
155.09126	3.9
155.10526	1.5
155.11803	3.2
155.12848	0.9
155.54799	2.1
155.97459	5.4
156.06505	1.1
156.07678	2.4
156.10187	1.1
156.11348	1.4
156.13844	1.2
158.01202	0.8
158.99661	12.0
159.99910	0.8
161.01202	1.0
162.99080	0.8
163.44215	0.8
164.05180	12.9
164.55374	0.9
165.00700	1.1
165.04372	7.8
166.55473	4.3
167.98196	1.3
168.01787	5.9
168.97923	5.1
170.04755	0.9
172.95250	2.4
172.98820	1.3
173.02361	2.7
173.98491	10.4
174.00838	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.6
53.82286	0.2
55.01868	0.5
55.05508	4.4
56.05039	0.9
56.05840	0.3
56.96572	0.3
57.03434	0.7
57.07073	30.2
58.06601	0.5
59.06111	0.2
65.03934	0.3
67.05503	3.8
67.05869	0.2
67.16486	0.2
68.05025	1.1
68.05836	0.2
69.03429	1.1
69.04565	0.4
69.07066	1.1
70.02940	0.3
70.06592	1.4
71.04990	1.0
71.06110	0.3
71.08601	0.2
71.46948	0.3
71.94104	0.7
71.95270	0.6
72.04522	0.5
72.08143	0.5
72.93784	9.2
79.05493	1.7
80.05031	0.6
80.05841	0.3
81.03425	0.4
81.04545	0.5
81.07052	7.4
82.06573	1.3
82.07384	0.6
83.04979	1.7
83.06109	0.9
83.07364	0.2
83.08603	1.0
84.04533	0.5
84.05317	0.8
84.08163	0.7
85.02924	0.2
85.06539	5.2
85.07641	0.4
86.06109	0.2
87.04472	0.3
90.94819	3.0
91.05470	0.6
92.05108	0.2
93.05807	0.4
93.07069	0.6
94.06546	0.6
94.07368	0.4
95.04955	2.4
95.06079	1.6
95.08604	2.6
96.04508	0.5
96.05316	1.0
96.08127	0.6
96.08936	0.4
97.02872	0.3
97.03955	0.2
97.05273	2.2
97.06537	0.6
97.07659	0.6
98.06056	2.5
98.07095	0.2
98.09686	1.6
99.04453	0.7
107.06140	0.2
107.08595	0.3
108.04444	0.3
108.05567	0.2
108.08131	2.0
108.08930	0.9
108.95871	0.7
109.02889	0.7
109.06518	5.0
109.07620	1.4
109.08326	0.2
109.10155	3.4
110.06052	3.6
110.06781	0.4
110.07182	0.3
110.10512	0.3
111.04443	0.7
111.05589	0.5
111.06821	2.4
111.08092	0.5
111.09202	1.0
112.04800	0.4
112.08745	1.3
113.02348	0.2
113.05965	1.1
113.07161	0.5
113.10764	0.3
113.96394	5.7
114.06657	0.3
116.98660	0.2
119.08502	0.2
121.06397	0.2
123.04440	0.2
124.07613	0.3
125.08369	0.8
126.05482	0.3
126.09140	2.6
126.10007	0.3
127.03951	0.4
127.04996	0.3
127.07593	0.4
127.08621	0.3
131.97441	7.7
136.03946	0.3
136.07573	1.5
136.08630	0.6
136.12015	0.3
137.02333	0.3
137.05952	0.6
137.07109	0.6
137.09596	0.8
137.10683	0.3
138.05537	0.5
138.06593	0.3
139.06299	3.2
139.07388	0.4
148.97383	0.6
152.07042	0.3
154.08621	100.0
154.99042	0.6
155.02261	0.2
155.03346	1.1
155.07065	2.2
155.08984	4.2
155.10631	0.5
155.12990	0.5
155.14285	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	155.0465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.4
54.03459	1.3
55.01874	3.7
55.05508	24.0
55.93510	3.2
56.05023	3.2
56.05839	0.9
56.96560	89.7
57.03435	4.1
57.04554	1.7
57.07070	1.6
58.06593	2.0
58.81326	0.7
58.96145	0.7
59.04992	1.6
59.06117	3.0
60.04510	1.7
61.02910	2.0
63.21024	0.7
65.03934	4.5
67.02972	1.1
67.05499	25.9
68.05014	2.6
69.03422	9.2
69.04541	2.6
69.07054	3.1
69.96172	2.2
70.02941	1.2
70.06578	4.2
70.24240	0.6
70.95860	27.6
71.01344	1.9
71.04994	4.0
71.06097	1.8
71.22086	0.8
71.22459	1.6
71.95274	1.6
72.04523	2.6
72.08145	2.3
72.93783	100.0
72.96055	1.9
73.02916	4.9
73.06548	16.2
74.04797	0.8
74.06107	1.1
74.97608	2.2
79.05473	4.1
81.03426	6.7
81.04540	2.6
81.07047	10.3
82.02942	0.8
82.05312	0.7
82.06587	2.4
83.04974	7.9
83.06093	4.3
83.08647	0.9
83.97621	2.1
84.04490	2.8
84.05621	1.0
84.08138	3.1
84.96037	1.2
85.02892	8.0
85.04029	1.1
85.06538	3.4
85.07663	1.3
86.06052	2.0
86.51803	0.9
86.91758	0.7
87.04469	1.7
88.96898	12.1
88.99141	0.8
90.94819	30.2
91.00518	2.5
91.05483	3.1
92.03127	1.9
92.98635	0.8
93.03370	0.9
93.04548	0.9
93.07032	2.3
94.06567	1.4
95.01343	0.9
95.04973	9.1
95.06075	3.9
95.08590	5.7
96.04500	2.7
96.05627	3.5
96.08113	1.6
96.96176	0.7
97.00513	1.3
97.02882	9.5
97.04002	3.0
97.06483	2.8
97.07658	3.0
98.01276	2.0
98.06059	1.9
98.07171	4.3
98.97582	20.2
98.98463	2.9
99.04442	4.9
99.05573	1.9
99.08134	0.7
99.09248	0.7
100.01046	1.5
100.03953	0.9
100.07560	0.8
101.98717	0.9
103.00467	0.9
103.02348	0.9
106.01038	2.9
106.97936	2.6
107.06045	0.7
108.04394	0.8
108.05624	0.8
108.95849	8.1
109.02231	0.8
109.02885	8.0
109.04011	1.0
109.06504	7.7
109.07605	4.3
109.10136	9.9
110.01238	1.3
110.03116	1.6
110.06039	4.1
110.07194	4.1
110.97568	1.2
111.02067	0.9
111.03819	1.5
111.04462	10.7
111.05548	1.8
111.08043	1.8
111.09211	1.8
111.98467	14.7
112.01005	2.7
112.04004	0.7
112.07631	1.7
112.08695	0.8
113.02396	1.0
113.03585	0.7
113.06015	6.2
113.07123	1.9
113.08282	1.5
113.96393	45.5
113.98638	8.0
114.06644	6.3
114.10327	0.8
115.01582	1.2
115.05133	0.7
116.98614	18.5
117.03878	1.8
119.01863	5.0
119.03622	2.2
119.08584	0.9
119.96475	0.8
119.97279	1.5
120.00742	1.3
120.05548	1.4
121.00652	0.6
121.01555	3.1
123.04423	1.9
125.03584	1.4
125.07137	0.7
127.03929	10.7
127.04849	1.3
127.07545	4.4
127.08527	1.2
128.02348	1.5
128.04276	0.8
128.07079	1.6
128.08176	1.3
128.97786	4.0
128.98630	2.7
129.02214	1.6
129.05409	1.7
129.10242	0.8
129.99509	11.0
130.01880	0.9
131.00099	0.8
131.01913	1.2
131.53304	1.0
131.96259	2.1
131.97432	62.2
131.99657	22.5
132.00577	0.8
132.52350	1.5
132.95827	27.0
132.97789	1.2
133.03419	1.6
134.01266	2.1
134.99660	9.8
137.02199	4.3
137.05981	3.5
137.07111	2.5
137.08084	1.0
137.09607	1.1
137.98351	6.3
138.05507	2.7
138.06642	4.8
138.09123	1.4
139.08641	0.9
139.91548	0.8
140.04707	1.0
140.48627	1.5
143.00139	1.2
145.01727	0.7
145.04930	0.9
146.04160	2.0
146.99664	3.6
147.03271	8.2
149.01250	0.8
149.49194	0.8
149.97221	10.3
149.98454	1.8
150.00732	39.5
150.06189	0.8
150.96877	89.4
153.00955	1.3
154.90720	1.7
154.94125	0.8
154.99005	5.9
155.01320	0.9
155.03400	10.4
155.04662	25.6
155.07030	17.5
155.08180	6.1
155.09259	5.2
155.10638	1.6
155.11784	2.0
155.12892	1.6
155.54852	2.4
155.97409	6.8
156.06566	1.7
156.07700	3.3
156.10179	1.5
156.11362	1.4
156.13872	0.8
158.99640	10.5
161.01221	1.6
162.99158	1.1
164.05173	12.0
164.55397	1.3
165.00717	1.0
165.04344	10.2
166.55428	3.6
167.98247	1.5
168.01776	6.4
168.97977	5.1
172.95264	3.0
172.98779	0.8
173.02411	2.6
173.98471	11.1
174.00819	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00295	1.3
53.03949	2.7
55.01869	1.6
55.05512	15.7
56.96564	1.2
57.03430	2.3
57.07071	1.5
59.04996	9.2
65.03937	22.2
66.04242	1.3
67.05503	8.5
68.05019	2.5
69.03413	4.3
69.07061	14.0
69.72423	8.1
70.06593	3.3
70.94270	5.4
70.95840	1.4
71.04593	2.3
71.04990	41.1
71.94105	2.5
71.95263	4.3
73.06168	2.1
73.06550	24.1
79.05487	30.0
79.21154	1.3
81.03407	1.1
81.07053	100.0
82.07401	3.0
83.04970	8.8
83.06100	1.3
83.08601	2.6
84.04531	1.0
85.06566	1.3
85.07640	1.9
87.04422	1.3
88.95318	1.4
88.96894	1.5
91.05476	8.7
93.03400	10.3
93.07037	50.8
94.06546	1.2
95.04972	8.6
95.06075	2.9
95.08585	14.0
97.02883	1.7
97.06527	12.7
105.04441	1.5
105.07021	3.6
107.04942	4.4
107.08591	47.7
108.04510	1.4
108.08122	1.2
109.06505	8.8
109.07664	1.7
109.10152	14.3
110.03646	4.0
110.07159	2.3
110.21041	1.0
111.04438	49.3
111.08086	8.7
111.09202	2.3
111.96864	1.9
112.04757	1.2
112.08723	6.5
119.08568	1.5
125.05990	22.2
125.06924	0.9
125.09639	2.4
126.06376	1.1
126.10248	2.5
128.52802	1.7
129.97905	3.9
134.06027	1.2
135.04399	3.6
135.08054	5.3
135.11682	40.5
136.03897	1.5
136.07562	3.8
136.08620	1.8
148.97334	1.4
153.01813	2.2
153.05464	10.0
153.07896	1.3
153.09128	8.4
153.11336	8.6
153.12738	24.5
154.04971	3.2
154.09761	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1275
Annotation	cis-Citral
Peak:m/z	Relative Intensity
53.03946	1.8
55.01865	3.5
55.02970	0.7
55.05512	44.7
56.05030	0.8
56.96576	1.3
57.03429	2.8
57.07083	1.9
59.04994	3.6
60.34055	0.7
62.98068	0.8
63.56387	0.7
65.03943	37.8
67.05505	12.1
68.05014	2.8
68.99792	0.9
69.03426	4.6
69.04549	1.6
69.07072	13.3
69.86306	4.9
70.06593	3.5
70.33721	0.9
70.94264	5.7
70.95879	1.1
71.04978	3.9
71.06104	1.0
71.94100	3.1
71.95258	2.5
72.08134	1.4
73.06547	1.2
79.05489	14.9
80.05033	1.1
80.05849	0.9
81.03403	2.5
81.04537	1.0
81.07055	13.7
82.06563	1.2
83.04981	98.2
83.08625	6.1
84.04527	1.0
84.05311	2.0
85.06568	0.9
85.18118	0.8
87.04471	1.3
88.95298	2.1
88.96889	0.8
91.05482	8.9
93.03407	14.0
93.07043	32.7
95.04972	8.9
95.06107	3.3
95.08604	16.5
95.67561	0.8
97.02917	1.6
97.06532	17.9
97.07620	1.0
105.07030	3.1
107.04968	8.2
107.08596	38.1
108.08907	1.0
108.93229	0.8
109.06526	5.7
109.07669	2.7
109.10162	25.9
109.10925	1.3
110.01280	0.9
110.03674	6.3
110.07195	3.0
111.04445	100.0
111.08079	9.2
111.09207	3.2
111.96877	3.8
112.04797	2.7
112.08751	7.7
112.96737	1.1
113.05850	1.8
117.07024	0.9
121.02872	3.5
125.02388	1.2
125.05993	43.9
125.09631	3.2
126.05505	1.1
126.06353	1.8
126.10242	1.2
129.97903	6.5
130.97723	2.7
134.05991	2.2
134.11684	0.8
135.04395	3.8
135.08080	8.5
135.11687	20.1
136.03932	1.0
136.07576	4.7
136.08612	1.6
148.97363	1.2
153.01851	1.6
153.05484	23.5
153.06592	1.2
153.07834	1.5
153.09113	12.2
153.10184	1.7
153.11372	8.9
153.12750	39.7
154.03908	0.9
154.04918	4.1
154.06053	0.8
154.08615	2.3
154.09731	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	153.1274
Annotation	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
53.03929	2.4
53.06662	0.8
54.93808	0.8
55.01865	2.5
55.05510	45.2
56.96552	1.4
57.03423	3.2
57.07064	1.5
59.04989	3.3
65.03605	1.7
65.03939	31.0
66.04277	1.3
67.02982	0.8
67.05503	11.4
68.05022	1.7
69.03423	3.9
69.04559	1.1
69.07070	14.4
70.06589	2.4
70.72369	2.9
70.94254	5.2
70.95863	0.9
71.04990	7.8
71.06120	1.3
71.94088	2.8
71.95248	1.5
72.08190	0.9
73.06544	2.8
76.62961	0.8
79.05489	14.7
81.03429	1.9
81.07052	19.9
83.04979	100.0
83.08611	4.7
84.05351	1.3
85.02862	0.9
85.06533	1.1
88.95296	1.5
88.96931	0.9
91.05466	6.4
93.03401	12.6
93.07038	34.0
94.06578	1.0
95.04971	7.4
95.06094	2.7
95.08607	17.9
97.04087	0.8
97.06532	19.1
97.07600	1.5
105.06987	2.2
107.04962	4.8
107.08591	39.0
108.05657	1.4
108.08165	0.9
108.08860	1.1
109.06494	4.5
109.07659	1.2
109.10148	18.1
110.03675	4.9
110.07152	2.8
110.07908	1.0
111.04441	68.7
111.08060	8.6
111.09198	2.2
111.96881	4.1
112.04020	0.9
112.04800	2.8
112.08773	4.1
112.15240	0.7
113.05878	2.3
117.07051	0.9
119.08543	1.2
119.58334	0.8
121.02869	4.0
125.02408	1.0
125.05987	31.5
125.09647	2.8
126.06360	1.6
126.10243	1.1
129.97893	4.4
130.97722	1.8
135.04419	3.1
135.08104	5.6
135.11684	20.0
136.03928	2.6
136.04962	1.0
136.07567	2.9
136.08603	1.9
137.07207	1.0
153.01828	1.9
153.05484	16.7
153.06607	1.8
153.09149	9.3
153.11375	7.7
153.12749	41.5
154.04994	3.0
154.08627	2.3
154.09763	2.0
154.13133	1.2
155.94913	0.9
158.80193	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	(+)-cis-p-Mentha-2,8-dien-1-ol
Peak:m/z	Relative Intensity
53.03951	1.3
55.01881	1.7
55.05510	9.0
55.91382	0.5
56.96560	1.6
57.03441	3.8
57.07066	2.7
59.04998	2.1
59.33012	0.5
62.20531	0.6
65.03936	7.5
67.05503	23.1
68.05040	0.9
69.03416	2.6
69.07066	37.3
70.07418	0.7
70.94260	3.2
70.95856	1.4
71.04996	3.1
71.06284	1.3
71.06629	0.8
71.94096	4.6
71.95264	6.6
73.06554	1.5
79.05490	19.4
80.05824	0.6
81.03413	0.9
81.07056	31.9
82.07407	0.9
83.04974	8.2
83.08620	4.8
84.04554	0.7
85.06537	1.6
85.47106	0.6
87.04462	1.0
88.96902	0.7
91.05482	4.3
93.03410	2.1
93.07042	36.9
94.07362	1.3
95.04964	3.9
95.08605	18.7
97.02907	1.3
97.06528	15.1
98.06876	0.6
105.07059	1.6
106.96272	0.6
107.04942	3.0
107.08591	40.9
108.04538	0.9
108.08927	1.1
109.06525	1.8
109.10155	29.1
110.03668	2.3
110.10488	0.8
111.04465	15.3
111.08080	6.7
111.11711	1.3
111.96864	1.2
112.04751	1.3
112.96709	1.2
121.02843	0.6
125.05990	7.2
125.09631	1.0
126.05515	0.7
126.06330	2.2
126.09171	0.7
129.97906	2.3
130.97769	1.3
130.98956	0.7
135.04422	2.0
135.08080	2.7
135.11690	91.9
136.03915	1.3
136.07587	3.4
136.11977	2.9
138.05023	1.2
153.01877	1.2
153.05501	7.4
153.07486	6.7
153.09200	5.1
153.12741	100.0
154.04979	3.2
154.06067	1.0
154.08635	1.1
154.13095	3.0
154.15891	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
54.21758	1.1
55.05505	8.5
55.09491	1.0
55.91842	1.2
57.03411	3.0
58.12931	0.9
59.04998	7.5
65.03934	15.3
67.05502	27.1
67.36777	0.9
68.77523	0.8
69.03409	3.5
69.06718	1.3
69.07066	15.2
70.92717	1.0
70.93037	2.4
70.94250	2.1
70.95846	1.8
71.04993	11.4
71.94102	2.1
73.65553	1.1
79.05500	9.8
81.07054	22.5
83.04975	7.3
83.08613	4.6
91.05467	6.4
93.03396	6.6
93.07039	47.5
95.04971	14.6
95.08604	35.7
96.08902	1.1
97.06532	14.2
105.07032	3.6
107.04962	2.1
107.08591	78.9
108.08894	1.6
109.06514	3.3
109.10150	100.0
110.03652	1.3
110.10475	2.2
111.04441	23.4
111.08069	6.0
111.11652	1.1
111.96861	2.1
112.08720	1.6
112.96684	1.0
117.06943	1.1
119.08573	1.7
121.02860	9.1
122.74717	0.9
125.05988	9.4
125.09607	1.9
126.06551	1.0
129.97913	2.7
135.04411	1.3
135.08041	9.1
135.11691	48.9
136.07550	2.2
136.12033	2.0
153.05499	7.2
153.09117	3.8
153.11374	2.8
153.12737	74.0
154.04913	2.3
154.09651	1.2
154.13049	2.0
162.91151	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00317	2.5
53.03938	2.9
55.01878	5.7
55.05510	24.4
55.38582	1.8
56.96565	5.0
57.03433	4.8
57.07068	3.6
57.62572	1.6
57.78868	1.9
59.05000	11.9
65.03604	3.2
65.03939	42.8
65.74409	1.9
67.01862	4.6
67.05503	22.9
68.05024	4.2
68.75245	1.8
68.99784	2.4
69.03429	7.9
69.07072	25.7
70.06573	5.7
70.93372	3.1
70.93709	3.9
70.94255	10.2
70.95852	4.1
71.04995	39.1
71.94096	4.9
71.95260	5.5
72.08130	2.8
73.06554	17.9
79.05491	34.7
80.05001	2.9
81.03383	2.4
81.07056	100.0
83.04984	20.4
83.06071	2.4
83.08615	6.7
85.02888	2.2
88.95298	2.9
88.96880	1.9
91.05481	15.9
93.03400	17.8
93.07040	72.4
95.04976	14.9
95.06112	3.2
95.08591	26.4
97.02870	2.9
97.06528	23.4
105.07045	3.8
107.04957	11.9
107.06006	2.1
107.08592	77.5
108.08161	1.9
108.08907	3.0
109.06506	9.3
109.10155	35.2
110.03665	6.5
110.07171	6.3
111.04443	96.7
111.08066	14.9
111.09209	5.0
111.96881	8.7
112.08736	9.9
113.05926	2.1
119.08558	2.3
125.05985	45.4
125.09627	4.9
126.05502	2.7
126.06358	2.5
129.97913	5.6
130.97748	2.5
131.97531	1.7
135.04431	4.8
135.08083	11.1
135.11688	51.8
136.03961	5.9
136.07581	7.5
136.08618	3.8
153.01802	8.2
153.05487	28.4
153.06584	2.9
153.09151	13.8
153.10335	2.5
153.11383	15.0
153.12750	49.9
154.04971	5.3
154.08601	4.8
154.09726	4.5
171.02907	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	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00307	1.9
53.03947	3.5
54.03460	1.7
55.01862	4.9
55.05507	23.4
56.05027	4.2
56.96553	5.6
57.03425	5.2
57.07066	4.6
58.06590	3.7
59.05000	14.7
59.06121	1.6
65.03939	33.2
67.02975	1.9
67.05502	22.8
68.05015	6.5
68.96345	2.1
69.03428	12.1
69.04542	5.7
69.06720	2.3
69.07064	25.2
69.94948	9.0
70.06599	10.0
70.94250	13.3
70.95850	5.1
71.04990	42.5
71.06087	2.7
71.94090	2.6
71.95259	2.2
72.04482	1.5
72.08136	5.5
73.06555	19.7
74.06002	1.3
79.05489	47.9
80.05005	3.0
80.05814	3.3
81.03407	4.1
81.04534	5.7
81.07053	100.0
82.06566	3.4
82.07353	2.0
83.04980	17.9
83.06084	6.8
83.08598	6.4
84.08132	2.9
85.06556	2.1
85.07655	3.3
87.04427	2.4
88.95286	4.5
88.96899	1.9
91.05477	19.6
93.03403	12.5
93.07039	80.8
94.06545	4.9
94.07394	1.6
95.04966	35.3
95.06066	11.4
95.08602	32.2
96.05614	3.9
96.08154	1.5
97.02892	3.5
97.03997	2.0
97.06525	32.1
97.07644	5.0
98.06053	3.4
98.07191	1.9
99.04435	1.8
99.05567	3.1
105.02106	1.6
105.04545	1.8
105.07024	9.5
107.04952	17.1
107.06094	2.5
107.08591	91.7
108.05646	3.4
108.08108	2.2
108.08895	3.4
109.06532	20.2
109.07657	12.3
109.10151	35.5
110.03639	7.1
110.07175	8.7
111.04434	65.4
111.05561	3.0
111.08067	21.9
111.09184	9.3
111.96851	6.6
112.04815	2.5
112.07581	2.8
112.08733	13.0
112.96747	1.7
113.05887	11.0
113.07103	2.4
113.09510	1.5
115.05466	1.4
117.07011	4.4
119.03609	1.7
119.06044	1.9
119.08572	3.3
123.06745	1.6
123.08068	10.6
123.11710	2.3
124.08740	1.9
125.05986	38.9
125.09629	11.0
126.05520	2.7
126.06535	2.7
126.09172	1.7
126.10255	4.9
129.97897	10.5
130.97755	2.1
135.04414	14.2
135.08057	48.5
135.09096	2.6
135.11679	48.9
135.12715	2.7
136.03909	5.5
136.04932	3.1
136.07545	5.5
136.08626	8.7
136.12048	2.0
137.07083	1.9
138.06772	2.4
148.97348	4.7
149.72964	1.4
153.01851	3.0
153.05469	28.1
153.06519	3.0
153.07661	6.7
153.09087	28.6
153.10246	3.4
153.11345	34.7
153.12733	41.8
153.13899	2.3
154.04982	8.4
154.06053	1.7
154.08762	7.3
154.09621	7.4
154.13145	2.0
167.96284	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	153.091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
54.71175	0.3
55.01874	2.1
55.05262	0.5
55.05511	6.0
56.05025	0.6
56.96584	0.4
57.03433	2.5
57.07075	0.7
58.06593	0.6
59.05000	1.1
65.03944	6.3
67.05180	0.4
67.05510	6.7
68.05016	1.5
69.03430	3.4
69.04546	0.8
69.07067	3.5
70.06578	2.0
70.21512	0.3
70.94262	1.4
70.95879	0.4
71.01349	0.8
71.05003	2.4
71.06111	0.8
71.58318	0.4
71.58637	0.5
71.94093	0.8
71.95261	0.6
72.08162	1.2
73.06564	0.9
79.05057	0.7
79.05492	10.6
80.05018	0.4
80.05826	0.4
81.03415	1.1
81.04539	0.7
81.07056	13.3
82.06570	0.8
83.04983	10.3
83.06104	1.1
83.08614	0.7
84.96238	0.3
85.02898	0.5
85.07651	0.5
86.06062	0.4
87.04447	0.8
88.95315	0.7
88.96878	0.3
91.05477	4.6
92.05829	0.5
93.03395	1.8
93.07043	12.6
94.06575	1.0
94.07398	0.4
95.04970	100.0
95.06038	2.3
95.08607	3.9
96.05282	3.0
96.08145	0.4
97.02877	0.7
97.06530	4.3
97.07644	0.8
98.07184	0.4
105.07005	1.7
107.04964	3.2
107.06088	0.4
107.08593	19.0
108.05584	0.4
108.08929	0.7
109.06520	32.2
109.07682	1.6
109.10146	4.6
110.03651	1.2
110.06087	0.4
110.07164	1.1
111.04446	23.8
111.05636	0.9
111.08078	9.1
111.09216	1.5
111.96896	1.0
112.04831	0.6
112.08730	3.6
113.05874	1.3
115.05463	0.5
117.07046	0.9
121.02872	9.7
123.04417	0.5
123.08086	0.8
125.05997	5.2
125.09621	3.7
126.09206	0.6
126.10261	0.8
129.97922	1.5
135.04425	1.7
135.05435	0.4
135.08052	8.8
135.11687	3.2
136.07581	2.6
136.08693	1.7
137.06033	0.3
148.97385	0.5
153.01950	0.8
153.05475	8.0
153.06569	0.6
153.07651	1.2
153.09128	9.0
153.10143	0.5
153.11378	6.5
153.12746	5.8
154.04912	1.7
154.06100	0.5
154.08620	1.9
154.09698	1.2
155.87830	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.091
Annotation	2,6,6-Trimethyl-2-cyclohexene-1,4-dione
Peak:m/z	Relative Intensity
53.03946	0.5
55.01872	0.7
55.05511	1.5
57.03434	0.4
59.05006	0.7
65.03938	4.4
67.05515	2.1
67.93660	0.3
69.03440	1.9
69.07062	1.4
70.06581	0.3
70.94265	0.8
71.01356	0.4
71.04992	1.0
71.58423	0.6
71.94091	0.9
73.06529	0.4
73.11774	0.3
74.35596	0.3
79.05492	14.3
81.07058	4.2
83.01328	0.5
83.04972	1.7
83.08615	0.4
85.26945	0.4
91.05481	13.6
92.05779	0.5
92.06308	0.4
93.03417	2.2
93.07047	5.1
95.04966	3.8
95.08622	2.0
97.02923	0.3
97.06542	1.6
105.07024	6.4
107.04946	1.4
107.08595	23.3
108.08921	0.7
109.06517	5.9
109.10162	3.9
110.03667	0.6
110.07140	0.4
111.04442	7.2
111.08071	1.9
111.09251	0.6
111.96868	0.6
112.08739	0.6
112.96734	0.4
115.05466	0.8
117.07005	1.0
119.06043	1.2
121.02873	7.6
125.05999	3.1
125.09636	2.6
135.08054	100.0
135.11624	2.6
136.08398	4.1
138.06757	2.6
153.01866	0.4
153.05548	1.9
153.09103	36.3
153.11263	1.0
153.12671	3.7
154.09567	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
53.03939	5.4
54.03458	1.2
55.01862	5.7
55.05507	24.0
56.05025	2.8
56.96551	2.2
57.03185	1.7
57.03436	20.3
57.07079	2.0
58.06593	1.5
59.04990	6.3
65.03942	19.8
67.02988	1.9
67.05508	18.7
68.05013	4.0
68.05788	1.4
69.03429	30.2
69.04542	5.1
69.06725	2.2
69.07068	24.6
70.06574	5.8
70.94243	6.7
70.95863	2.0
71.04991	18.6
71.06110	1.9
71.42590	3.0
71.95246	2.0
72.04501	1.5
72.08136	4.4
73.06553	9.2
75.04480	7.6
76.82521	1.2
79.05489	38.7
80.05027	2.2
81.03400	2.4
81.04501	3.0
81.07052	55.8
82.06577	2.8
83.01365	6.0
83.04980	23.6
83.06087	6.2
83.08616	4.2
84.04504	2.2
84.08132	1.9
85.02914	2.7
85.06529	1.7
85.07658	2.4
86.06001	1.4
87.04465	2.2
88.95306	1.8
91.05483	25.7
93.03416	8.5
93.07039	42.7
94.06551	3.7
95.04967	25.6
95.06058	7.7
95.08607	26.0
96.04457	1.5
97.02890	3.5
97.04002	1.5
97.06528	75.5
97.07630	4.3
98.06017	2.8
98.06860	1.2
105.07017	9.7
107.04951	22.4
107.06063	1.7
107.08592	59.9
108.05630	2.4
108.08105	3.3
108.08870	1.8
109.06516	20.7
109.07648	6.5
109.10152	16.1
110.03655	3.3
110.06061	1.7
110.07176	3.6
111.04445	43.1
111.08078	36.7
111.09180	6.6
111.96877	4.3
112.04793	1.7
112.08726	9.3
113.05865	7.7
113.07146	3.0
113.09632	1.2
115.05456	3.0
117.07023	8.2
119.06066	1.9
123.04422	1.3
123.08074	15.3
125.06004	18.9
125.06940	1.7
125.09631	13.3
126.05521	1.8
126.06467	1.9
126.09166	2.5
126.10235	3.9
129.97897	5.1
135.04433	13.8
135.08052	21.0
135.11700	19.1
136.03934	3.7
136.04984	2.5
136.07561	7.3
136.08652	5.4
137.07071	2.1
139.06277	1.6
148.97354	2.5
153.04178	2.2
153.05473	41.3
153.06424	2.1
153.07758	4.6
153.09099	100.0
153.11331	17.8
153.12724	16.6
154.04984	3.8
154.06081	1.7
154.08618	23.6
154.09689	6.6
154.13307	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	153.0545
Annotation	4-Hydroxyphenyl acetate
Peak:m/z	Relative Intensity
51.10127	0.8
53.03963	1.1
55.01881	1.4
55.05504	9.9
56.05025	0.7
56.96555	0.7
57.03447	1.8
57.07087	1.0
59.05010	2.6
65.03938	45.8
66.04283	0.9
67.05505	8.4
68.05044	0.7
68.42062	0.6
69.03448	2.6
69.07064	8.2
70.06604	0.9
70.94263	2.7
70.95862	0.9
71.04984	4.7
71.50602	0.8
71.94112	1.0
72.08172	1.0
73.06553	1.7
79.05477	7.2
80.48009	0.7
81.03422	0.8
81.07049	12.0
83.04974	11.0
83.08611	3.2
88.95327	0.7
91.05472	3.9
92.15426	0.7
92.66985	0.6
93.03401	21.8
93.07037	18.3
95.04973	4.1
95.06087	1.1
95.08599	13.1
97.02914	0.7
97.06522	8.0
105.07021	1.3
107.04943	3.4
107.08588	25.7
109.06535	3.3
109.07671	0.9
109.10149	31.4
110.03665	6.9
110.07193	1.3
111.04435	100.0
111.08060	4.8
111.09225	1.2
111.96873	1.2
111.98480	0.7
112.04764	2.1
112.08717	2.1
113.05869	0.8
119.76496	0.6
124.47023	0.7
125.05989	45.1
125.09628	1.0
126.06323	1.3
129.77206	0.6
129.97841	0.9
134.05969	1.7
135.04440	1.6
135.08066	2.9
135.11688	18.1
136.07588	1.0
136.08675	0.9
138.02936	0.8
148.97327	0.6
151.13588	0.5
153.05460	21.6
153.09163	3.5
153.11330	4.3
153.12709	26.3
154.09679	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	151.1118
Annotation	(-)-Carvone
Peak:m/z	Relative Intensity
53.03943	7.4
55.01863	5.1
55.05511	100.0
56.05025	3.4
56.05843	2.9
56.96561	14.2
57.03443	6.2
57.07072	4.7
59.04993	7.1
59.06112	3.3
61.02933	1.1
65.03930	5.4
67.05505	47.2
68.05037	10.7
68.95282	3.7
68.99773	1.5
69.03424	7.6
69.04550	2.0
69.07071	10.9
70.06593	5.7
71.04994	3.3
71.26199	1.1
71.26533	1.8
73.02912	5.3
74.97595	1.3
75.05595	1.7
79.05492	23.9
80.05016	2.8
81.03417	5.0
81.04556	3.0
81.07057	69.8
82.06577	3.3
82.07375	1.7
83.05004	2.9
83.06113	9.1
84.04489	1.6
84.05641	1.3
85.02908	2.8
85.06570	1.4
87.05579	2.4
89.06076	1.4
90.01566	3.3
91.05492	27.1
92.01268	1.7
93.04546	2.8
93.07041	35.4
94.06565	2.5
95.04970	30.0
95.06089	5.2
95.08610	26.3
96.01559	2.2
96.04529	2.4
96.05676	1.5
96.08131	6.6
97.02890	2.6
97.06531	19.4
97.07648	6.8
98.01308	2.3
98.97578	7.7
104.01297	2.7
105.03396	1.2
105.04537	2.0
105.07029	39.2
106.06604	2.5
106.07339	2.4
107.04937	3.2
107.06084	3.1
107.08597	35.8
108.02101	4.7
108.04461	2.6
108.05688	1.9
108.08164	1.7
108.08911	1.9
109.02876	1.9
109.06517	34.4
109.07633	14.7
109.10157	49.1
110.01295	7.1
110.06025	2.4
110.07196	15.4
110.10487	1.4
111.04433	2.8
111.05604	2.3
111.07953	28.3
111.09200	4.4
112.06362	1.4
112.09983	2.7
116.48155	2.7
116.98637	5.4
119.01804	10.3
119.04953	4.0
119.51942	1.3
121.06461	1.4
121.10143	3.2
122.07207	1.8
123.03649	1.4
123.04453	6.9
123.05269	1.0
123.08068	31.1
123.10825	1.6
123.11716	28.5
124.03971	1.6
124.07582	4.8
124.08717	6.0
124.12017	1.3
125.07098	2.6
127.03855	1.2
127.07563	1.4
128.02310	8.8
128.98589	2.9
130.52599	3.7
131.08597	2.4
132.42770	1.1
133.02863	2.8
133.06506	5.1
133.07562	2.0
133.10130	21.5
134.06042	3.3
134.07144	5.0
134.99658	2.9
135.05573	1.4
135.09198	4.9
137.02840	2.9
139.53059	2.4
141.05487	6.0
146.99663	4.3
151.02875	2.7
151.03912	44.7
151.05034	9.7
151.06161	2.3
151.07556	23.7
151.08630	3.3
151.09810	18.5
151.11182	55.0
151.97495	2.2
152.01642	4.7
152.03314	2.5
152.04466	2.6
152.05698	2.8
152.07056	13.4
152.08191	7.4
152.10677	1.5
152.11768	6.4
152.88654	1.1
153.04092	1.1
158.01218	1.6
158.99561	1.1
165.00708	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	151.1118
Annotation	Lyratal
Peak:m/z	Relative Intensity
51.84462	1.3
53.03947	5.1
55.01861	5.2
55.05510	28.6
56.05051	3.1
56.96565	9.1
57.03432	4.9
57.07077	5.7
58.06605	1.4
59.04995	4.5
59.06119	2.1
61.02932	3.0
65.03938	4.4
67.05506	50.4
68.05022	13.7
68.05823	1.1
68.95296	3.4
68.99816	1.6
69.03435	9.3
69.04548	3.1
69.07067	8.1
70.06586	4.4
71.04996	2.8
71.59756	1.8
71.88091	1.2
73.02924	3.1
74.97581	1.1
77.03910	2.6
79.05489	27.0
80.05013	3.7
81.03415	7.4
81.04564	2.8
81.07056	89.2
82.06587	3.3
82.07393	2.3
83.04993	4.3
83.06114	9.2
83.08604	1.3
84.04517	2.5
84.05621	2.2
85.02921	2.7
87.05588	1.3
89.06036	4.1
90.01560	2.1
91.04984	2.5
91.05495	35.1
91.06070	1.7
92.01283	1.3
93.04537	3.2
93.07047	52.6
94.06569	3.1
94.07388	1.4
95.04970	30.6
95.06092	4.9
95.08605	45.1
96.05679	1.2
96.08132	8.2
97.02896	1.5
97.06535	2.8
97.07652	5.4
98.01289	1.5
98.97597	3.5
101.00739	2.2
103.05452	2.2
105.03391	3.8
105.07029	61.1
106.06615	1.3
106.07330	2.3
107.04954	5.5
107.06078	3.3
107.08592	44.1
107.47661	1.2
108.04521	1.8
108.05705	2.8
108.08167	1.3
109.02885	2.2
109.06516	48.8
109.07635	11.0
109.10157	52.7
110.01283	7.5
110.06072	2.6
110.07191	19.6
110.08438	1.5
110.10499	1.5
111.04456	1.6
111.05575	2.6
111.07956	38.5
111.09212	2.6
112.09989	2.4
116.48167	4.8
116.98647	5.1
119.01794	8.7
119.04964	4.3
121.06503	1.6
121.10132	5.7
122.06068	2.6
122.07226	4.3
123.04430	9.6
123.05424	1.2
123.08071	41.2
123.11706	31.7
123.12588	2.2
124.02187	1.6
124.07676	8.0
124.08686	9.1
124.12029	1.9
125.07162	1.6
125.48729	1.3
128.02324	8.6
128.98642	2.8
130.52615	2.5
131.08638	1.7
133.02884	1.8
133.06503	8.9
133.07414	1.3
133.10129	31.3
133.11069	1.9
134.06050	4.8
134.07149	5.8
134.99672	3.6
135.04480	1.4
135.05513	1.8
135.09189	3.5
136.08833	2.3
137.02864	3.3
139.53102	2.6
146.99667	4.9
151.02850	4.2
151.03946	17.5
151.05035	2.6
151.07570	47.8
151.08649	5.7
151.09845	31.2
151.11211	100.0
151.14874	3.2
152.01643	9.0
152.03452	3.0
152.04608	1.2
152.07089	17.7
152.08185	8.8
152.10712	1.7
152.11743	7.4
158.01244	2.1
165.00748	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	151.0391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.6
53.71851	1.3
55.01868	4.5
55.05507	2.7
56.96566	100.0
57.03436	23.1
60.04525	3.0
60.95850	1.7
61.02689	1.4
61.02931	16.5
67.05502	8.2
68.02643	4.2
68.05018	2.4
68.98282	4.5
69.03430	14.4
69.07063	2.5
69.89227	8.3
70.06609	1.9
71.01336	1.9
71.04990	5.2
73.02919	25.3
74.97606	5.9
75.01038	2.4
75.05589	2.5
77.00813	7.7
78.33104	1.4
79.05483	4.6
81.03416	11.4
81.07057	6.3
82.01440	4.7
82.87414	2.0
83.00781	8.3
83.04982	2.0
83.06114	1.6
84.01574	1.8
84.96036	3.7
85.02903	21.4
85.53736	2.4
86.03699	3.8
86.99330	8.9
87.05589	3.3
88.02712	1.9
88.51664	5.6
89.00768	5.9
89.01717	2.3
90.01556	13.3
91.05025	2.7
91.05517	3.5
92.01299	6.5
93.07037	6.0
93.35326	1.8
95.00759	2.0
95.01918	1.9
95.04955	4.0
95.08602	5.1
95.52306	1.9
96.01549	14.9
96.50568	1.7
97.00490	4.8
97.02887	15.7
97.07664	2.0
97.96794	3.2
97.99164	6.0
98.01303	12.4
98.20773	2.9
98.97583	54.2
98.98193	3.3
99.02074	5.4
99.04472	3.0
100.02483	32.3
100.52539	4.2
101.00761	10.0
101.02400	8.5
101.52357	6.0
102.02242	3.1
103.03122	1.7
103.05051	2.7
103.52081	2.5
103.81249	1.7
104.01298	14.3
104.54518	1.8
105.00378	13.5
105.02090	10.4
105.07018	5.4
106.01062	3.3
107.01829	7.8
107.08593	5.0
107.52316	1.6
108.51270	1.9
108.53130	1.7
109.02878	7.9
109.06525	7.1
109.07642	3.9
109.10176	5.6
109.52101	2.4
109.53719	2.4
110.01286	48.5
110.07161	2.4
110.51462	2.6
110.52863	2.8
110.97552	9.7
111.04417	3.1
111.07938	4.3
112.51536	2.2
113.01780	5.8
113.03461	1.7
114.02583	2.3
115.52048	2.8
116.00238	6.1
116.01321	2.7
116.02158	1.7
116.03045	2.1
116.98631	42.3
117.02126	1.8
117.03953	1.8
117.05650	1.8
117.51824	2.4
118.01108	2.6
118.03533	26.0
118.52614	4.0
118.56090	1.9
119.01818	69.3
119.03625	4.7
119.51970	3.3
120.02001	3.0
120.03311	4.3
121.03477	1.8
121.52068	6.5
122.02328	1.6
123.01401	2.9
123.08086	3.3
123.11668	2.5
124.08736	1.7
124.97588	9.3
125.01810	5.4
126.02612	2.4
127.03925	3.8
127.47813	4.1
127.54768	2.1
127.55716	2.4
128.02348	67.9
128.49471	3.2
128.52475	5.6
128.97789	2.7
128.98616	17.5
129.03958	5.5
130.52600	7.2
131.00101	1.8
131.01904	2.0
133.03581	2.6
133.10094	2.0
133.98093	45.5
134.01372	2.5
134.07106	2.0
134.48140	5.4
134.98065	8.0
134.99657	25.3
135.03148	2.0
136.48357	13.6
136.98454	1.8
137.02846	27.1
137.48273	1.6
137.50012	20.0
137.53064	2.1
138.00084	4.3
139.53105	11.0
140.00243	10.4
140.04980	2.3
140.98592	2.1
141.05133	2.1
142.03505	3.0
142.98610	12.1
143.03603	1.6
143.98505	2.4
144.03279	2.8
144.98123	1.8
145.03468	2.6
145.04584	1.7
145.48900	75.2
145.98933	11.4
146.02983	17.3
146.48746	13.6
146.99654	24.2
147.01410	4.1
147.05002	5.6
147.99124	2.4
148.53648	2.9
149.00826	22.7
149.50911	3.6
151.03792	4.8
151.07494	4.1
151.08669	1.8
151.09811	5.4
151.11159	7.1
152.07079	2.1
152.08257	2.0
153.00700	3.2
154.49399	12.8
154.99431	2.4
155.49261	4.2
156.99733	4.8
158.01262	5.9
158.99643	4.9
160.51660	1.8
161.01295	2.9
161.02875	3.1
162.99168	3.7
163.03912	6.7
165.00679	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	150.0912
Annotation	Isogentialutine
Peak:m/z	Relative Intensity
53.03932	1.4
55.01860	1.5
55.05513	5.0
56.05024	1.3
56.96563	4.3
57.03418	2.1
57.07069	1.3
59.04991	0.9
59.85497	0.7
61.02900	0.8
65.03934	3.4
66.04261	2.7
66.86448	0.6
67.05503	8.0
67.93575	0.8
68.05010	1.8
68.95286	0.8
69.03441	4.0
69.07050	2.6
71.04982	0.9
71.60580	0.9
73.02909	1.2
77.11265	0.6
79.05492	9.0
80.05009	2.1
80.05836	0.6
81.03414	3.1
81.05782	1.2
81.07053	17.0
82.06567	1.3
83.04967	0.6
83.06095	0.7
85.02894	0.8
87.08368	0.6
87.35793	0.6
89.06024	0.6
91.05478	9.7
92.05751	1.1
92.06239	2.1
93.05790	3.7
93.07043	9.9
94.03720	1.5
94.06566	7.3
94.07344	3.6
95.01349	0.8
95.04977	7.3
95.06096	0.9
95.08604	8.8
97.02299	1.5
97.02857	1.1
97.06536	0.8
98.97581	1.7
103.05447	1.1
104.07105	1.0
105.03384	1.0
105.04500	0.8
105.07029	21.1
106.02843	1.8
106.06542	5.2
106.07291	1.1
107.04917	0.7
107.07337	26.5
107.08534	7.8
108.04444	1.6
108.08109	2.6
108.08923	2.9
109.06513	10.7
109.07613	3.1
109.10139	6.5
110.01272	1.7
110.07146	2.2
110.08403	4.0
111.07946	4.7
112.04695	0.9
115.03361	1.1
115.05420	0.8
116.48097	0.8
116.98586	1.8
117.05766	2.5
119.01810	4.8
120.08096	1.7
121.02892	0.9
121.03973	0.6
121.06493	0.6
121.08871	2.8
121.10139	1.6
122.03191	7.9
122.04173	1.1
122.06051	5.7
122.09665	36.7
122.10461	3.1
123.04464	1.6
123.05464	0.8
123.08052	7.5
123.09156	2.2
123.09932	1.2
123.11698	8.3
124.08679	1.3
128.02335	3.9
131.07329	0.7
132.06554	2.2
132.08054	2.1
132.08913	0.8
133.06491	1.9
133.07521	0.9
133.10117	6.4
134.99663	1.8
135.06789	9.3
137.02803	1.8
139.53105	0.8
150.02684	24.6
150.03740	2.9
150.05502	6.7
150.06580	2.3
150.09128	100.0
150.10162	6.4
150.12744	2.2
151.02809	1.5
151.03908	4.5
151.07571	10.7
151.09605	5.7
151.11168	15.7
168.03648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.4
55.01860	1.5
55.05513	5.0
56.05024	1.3
56.96563	4.3
57.03418	2.1
57.07069	1.3
59.04991	0.9
59.85497	0.7
61.02900	0.8
65.03934	3.4
66.04261	2.7
66.86448	0.6
67.05503	8.0
67.93575	0.8
68.05010	1.8
68.95286	0.8
69.03441	4.0
69.07050	2.6
71.04982	0.9
71.60580	0.9
73.02909	1.2
77.11265	0.6
79.05492	9.0
80.05009	2.1
80.05836	0.6
81.03414	3.1
81.05782	1.2
81.07053	17.0
82.06567	1.3
83.04967	0.6
83.06095	0.7
85.02894	0.8
87.08368	0.6
87.35793	0.6
89.06024	0.6
91.05478	9.7
92.05751	1.1
92.06239	2.1
93.05790	3.7
93.07043	9.9
94.03720	1.5
94.06566	7.3
94.07344	3.6
95.01349	0.8
95.04977	7.3
95.06096	0.9
95.08604	8.8
97.02299	1.5
97.02857	1.1
97.06536	0.8
98.97581	1.7
103.05447	1.1
104.07105	1.0
105.03384	1.0
105.04500	0.8
105.07029	21.1
106.02843	1.8
106.06542	5.2
106.07291	1.1
107.04917	0.7
107.07337	26.5
107.08534	7.8
108.04444	1.6
108.08109	2.6
108.08923	2.9
109.06513	10.7
109.07613	3.1
109.10139	6.5
110.01272	1.7
110.07146	2.2
110.08403	4.0
111.07946	4.7
112.04695	0.9
115.03361	1.1
115.05420	0.8
116.48097	0.8
116.98586	1.8
117.05766	2.5
119.01810	4.8
120.08096	1.7
121.02892	0.9
121.03973	0.6
121.06493	0.6
121.08871	2.8
121.10139	1.6
122.03191	7.9
122.04173	1.1
122.06051	5.7
122.09665	36.7
122.10461	3.1
123.04464	1.6
123.05464	0.8
123.08052	7.5
123.09156	2.2
123.09932	1.2
123.11698	8.3
124.08679	1.3
128.02335	3.9
131.07329	0.7
132.06554	2.2
132.08054	2.1
132.08913	0.8
133.06491	1.9
133.07521	0.9
133.10117	6.4
134.99663	1.8
135.06789	9.3
137.02803	1.8
139.53105	0.8
150.02684	24.6
150.03740	2.9
150.05502	6.7
150.06580	2.3
150.09128	100.0
150.10162	6.4
150.12744	2.2
151.02809	1.5
151.03908	4.5
151.07571	10.7
151.09605	5.7
151.11168	15.7
168.03648	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.0583
Annotation	D-Methionine
Peak:m/z	Relative Intensity
55.01875	2.1
56.05037	100.0
56.08595	0.5
56.96286	1.2
56.96566	16.3
57.03440	11.7
57.05359	1.2
58.99559	0.7
59.05010	2.3
60.04516	0.5
61.01152	57.5
61.02931	4.2
65.03941	2.1
66.04286	1.6
67.05511	2.4
68.02632	0.8
68.99792	0.6
69.03433	5.3
69.07056	0.7
70.06597	0.7
70.86761	1.5
71.02997	0.8
71.04995	0.8
71.53040	0.7
72.02881	0.7
72.04517	0.8
73.02914	5.0
73.52848	0.7
74.02443	7.6
74.06078	8.8
74.97600	1.1
74.99036	0.7
75.02720	0.7
75.04477	0.9
77.00922	0.5
78.52966	0.9
79.03026	1.4
79.05482	2.1
79.52833	0.8
80.05013	0.6
81.01077	0.5
81.03412	3.6
81.07054	2.8
82.53382	0.5
83.00812	1.3
84.04496	3.5
85.02910	7.4
86.06113	0.8
86.52707	1.5
87.01919	0.8
87.02698	13.8
87.04476	1.7
87.52590	2.3
87.53480	0.8
88.02697	1.9
88.07621	1.3
89.00823	1.2
89.05981	0.9
90.01563	3.1
91.05511	0.9
92.01282	1.2
93.07037	2.3
93.53508	1.0
94.06563	1.4
94.07359	0.8
95.00766	1.0
95.01334	1.4
95.04971	4.1
95.08624	1.6
95.53240	0.7
95.81493	0.5
96.01550	2.6
96.03281	1.6
96.04476	1.0
96.53091	2.0
97.00558	0.6
97.02868	3.0
97.99213	0.7
98.01277	2.5
98.97584	6.2
99.02077	0.9
99.04459	0.8
100.02479	6.4
100.52406	0.7
101.00791	3.2
101.02573	2.2
101.52354	0.7
101.53209	0.6
102.02282	2.9
102.05544	23.5
104.01300	1.9
104.05330	76.5
105.00148	2.1
105.02039	1.0
105.03739	1.6
105.05679	0.6
105.07047	3.9
106.01058	0.9
107.01795	0.7
107.08602	1.8
107.46318	0.5
107.52290	0.6
107.53198	0.6
107.54236	0.6
108.04495	0.7
109.02915	1.7
109.05102	0.6
109.06525	1.8
109.10179	1.0
109.52093	0.9
109.52945	0.7
110.01280	7.8
110.53683	0.5
110.97562	0.5
111.02947	2.3
111.52921	0.6
113.02411	0.8
113.53215	0.9
115.02377	1.0
116.00211	0.8
116.98640	5.4
117.01951	0.5
117.51844	0.5
118.01046	1.5
118.03539	6.4
119.01855	19.0
119.03625	2.1
120.02024	1.5
120.03307	2.2
121.01665	1.6
121.52091	1.0
122.03197	4.6
122.04285	0.8
122.06010	2.4
122.06805	0.6
122.10468	0.7
122.53736	1.4
123.04477	2.9
123.08069	2.4
123.11768	0.9
124.02486	0.8
127.01543	0.9
127.04102	2.0
127.07066	1.1
128.02341	12.6
128.98596	1.6
129.02541	0.6
130.52594	2.3
131.01894	2.3
132.05202	0.8
132.06554	1.2
132.10231	0.8
132.12175	0.5
133.03191	54.1
133.10155	1.2
134.03549	1.5
134.99686	5.7
135.03122	1.0
135.51376	0.5
137.02885	5.5
138.54988	0.7
139.53111	1.8
140.00169	0.7
142.03514	9.9
142.05177	0.8
143.03610	1.8
144.03268	0.8
144.99823	1.4
145.03468	1.9
146.99631	3.0
149.02963	1.0
150.00790	0.5
150.02692	15.0
150.03722	1.3
150.05722	10.6
150.07744	24.3
150.09076	2.3
150.10135	0.9
150.11258	1.4
150.12741	0.6
150.96855	0.8
151.03880	3.3
151.05942	0.6
151.07547	1.9
151.11171	1.8
151.23708	0.6
153.00679	0.6
154.03462	1.2
158.01257	1.6
158.99637	0.6
160.04568	1.1
160.97615	0.6
161.02913	1.4
162.99138	0.7
165.00688	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	150.0584
Annotation	D-Methionine
Peak:m/z	Relative Intensity
50.15207	0.2
52.54305	0.2
53.03947	0.5
55.01880	0.9
56.05035	100.0
56.96565	6.6
57.03437	4.9
57.05378	1.2
58.99579	0.8
59.05003	0.7
60.02116	0.3
61.01151	59.5
61.02930	1.5
62.01485	0.6
65.03931	1.4
66.04282	0.4
67.05503	6.9
68.02658	0.2
69.03426	1.5
70.06595	0.3
70.85477	0.5
70.98094	0.2
71.01354	0.3
71.03011	0.3
71.53040	0.3
73.02917	2.0
73.90600	0.2
74.02438	6.8
74.06078	8.1
74.99079	0.3
75.02714	0.8
75.04479	0.5
77.00735	0.5
79.05492	1.5
80.52724	0.3
81.03423	1.2
81.07050	0.5
82.01411	0.3
83.00787	0.6
84.04510	2.9
84.52979	0.2
84.96027	0.3
85.01108	0.3
85.02911	4.2
87.02692	13.4
87.04470	0.7
87.52563	0.7
87.53448	0.2
88.02663	0.6
88.07629	0.6
89.00767	0.6
89.04260	0.3
89.06008	0.2
90.01548	0.3
91.02295	0.3
91.05484	0.3
92.01325	0.4
92.52692	0.3
93.07056	0.4
93.53524	0.3
93.84222	0.2
94.06567	18.1
95.00764	0.3
95.01313	0.5
95.03468	0.3
95.04962	1.8
95.06901	0.6
95.53207	0.3
96.01568	0.9
96.03304	0.3
96.04462	0.5
96.53070	0.4
97.00527	0.4
97.02847	1.3
97.99158	0.3
98.01318	0.8
98.97591	2.6
99.53469	0.4
100.02467	2.5
101.00829	1.0
101.02564	0.3
102.02289	1.0
102.05541	22.4
103.03922	0.3
103.05886	0.5
104.01295	0.6
104.05328	71.3
104.52702	0.3
105.00076	1.1
105.02065	0.7
105.03754	1.5
105.05665	1.0
105.07024	0.8
106.01012	0.8
106.06557	4.7
106.07246	0.4
107.01794	0.5
107.08599	0.3
108.04444	0.4
109.02966	0.5
109.06544	0.4
109.10155	0.4
109.52966	0.3
110.01283	2.4
110.97591	0.4
111.02952	0.6
113.01773	0.4
113.53211	0.7
115.02348	0.3
115.07514	0.2
115.52074	0.2
116.98627	1.7
117.51823	0.3
118.01092	0.4
118.03550	2.3
119.01860	6.5
119.03590	0.6
120.01971	0.4
120.03316	0.6
121.01577	0.4
121.52055	0.3
122.02450	0.2
122.03197	1.2
122.06029	9.8
123.04425	0.6
123.06342	0.3
123.08034	0.3
124.02472	0.6
124.05106	0.2
125.01781	0.3
127.04153	0.9
128.02342	3.6
128.98598	0.8
130.52577	0.5
131.01894	1.0
132.05176	0.3
132.06543	0.5
132.10133	0.2
133.03191	45.7
134.03537	1.1
134.99663	1.0
136.02115	0.2
137.02885	1.7
139.53094	0.8
140.00217	0.3
142.03505	3.3
143.01897	0.4
143.03635	0.5
144.99820	0.3
145.03476	0.6
146.99644	0.9
148.03922	0.4
148.53618	0.2
150.02744	3.8
150.05531	27.0
150.07671	5.7
150.11134	0.4
151.03926	0.6
151.05963	0.9
151.07466	0.4
151.11198	0.4
154.03497	0.5
156.05054	0.2
157.03392	0.5
158.01305	0.5
160.04498	0.7
160.97620	0.4
161.02913	0.7
165.00659	0.3
168.01431	0.3
168.05168	0.5
168.06557	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62349	0.6
53.03942	1.5
55.01860	2.6
55.05499	1.9
65.03940	27.2
66.04253	0.7
67.05494	1.0
67.91689	0.8
69.07053	2.9
69.81209	2.3
69.81617	1.8
79.05493	6.3
81.04534	0.8
81.07048	3.3
91.05475	8.4
93.03401	7.7
93.07040	18.6
94.06550	0.8
95.04942	2.2
95.08588	1.0
98.03680	1.6
103.05444	2.4
103.94329	0.6
105.03397	0.8
105.07020	9.6
107.04944	2.1
107.07340	2.7
107.08591	18.4
108.04450	0.8
109.06526	2.8
110.08433	1.1
111.04454	6.8
116.06269	0.9
119.08577	1.9
121.02866	41.1
121.03967	6.8
121.06501	5.8
121.10140	26.7
122.03205	2.2
122.06036	0.8
122.07129	2.8
122.09682	2.0
122.10484	1.5
123.08046	1.4
126.05498	0.7
131.02440	1.0
131.04958	2.0
131.08531	3.5
149.02345	100.0
149.05959	3.2
149.08054	3.4
149.09619	12.9
149.13268	9.0
150.02666	6.0
150.03693	1.3
150.05547	1.7
150.09134	6.8
150.10225	1.6
167.03424	1.3
167.05638	1.5
169.03477	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	150.055
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
53.03952	2.5
54.03457	0.4
55.01866	0.6
56.05046	1.1
56.96332	0.5
56.96566	6.2
57.03168	0.5
57.03429	1.3
61.01158	0.5
61.02922	1.2
65.03946	3.6
66.04253	0.6
67.05505	17.1
68.05019	2.3
69.03425	1.0
69.96077	2.7
70.02959	0.4
70.06602	0.7
71.95324	0.4
72.66765	0.4
72.93779	0.9
73.02908	2.1
74.02444	4.7
75.05582	0.4
76.03979	1.3
77.00784	0.6
79.05487	3.2
80.04987	0.6
81.03408	1.2
81.04529	0.6
81.07027	0.7
82.06620	0.6
83.00824	0.5
84.08131	1.1
85.02887	2.0
86.06026	0.5
88.03978	0.8
89.00774	0.8
90.01529	0.6
90.90412	0.6
90.94820	0.5
91.05501	3.5
93.05781	0.6
94.06568	52.5
95.04961	3.0
95.06109	1.1
95.06893	1.3
95.08622	0.8
96.01543	0.8
96.04495	0.5
97.00524	0.7
97.02872	0.8
98.01300	1.6
98.97034	0.5
98.97581	3.5
101.00717	0.8
102.01924	1.2
104.01303	1.1
104.07098	0.5
105.02072	0.6
105.07018	1.4
106.01049	0.5
106.05830	0.8
106.06554	14.4
107.01797	0.6
107.06907	0.5
109.07643	3.6
109.10162	0.7
109.52038	0.5
110.01275	4.0
110.08431	4.8
111.04465	0.6
111.07938	0.6
111.53655	0.6
112.04720	0.6
112.07638	0.6
116.98654	2.2
119.01798	7.2
119.04938	1.5
121.52048	1.0
122.03192	1.6
122.06031	31.2
123.04446	0.7
123.06342	1.0
123.08053	1.3
123.09184	3.1
127.03896	0.7
127.07054	0.8
128.02322	6.9
128.98605	0.8
130.52574	0.6
132.06557	0.7
133.03040	0.6
133.07620	1.5
133.10167	0.6
134.99619	1.4
137.02827	1.7
139.53104	0.8
146.99663	0.8
148.03886	0.9
150.02808	8.6
150.05501	100.0
150.10240	7.9
150.96872	0.4
151.03888	1.5
151.05884	2.8
151.07545	2.2
151.08640	0.9
151.09860	0.5
151.11172	1.1
158.01230	0.6
168.06563	15.5
168.07985	1.0
169.06949	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpene
Peak:m/z	Relative Intensity
53.03931	1.5
54.96398	0.9
55.01870	2.1
55.05513	4.6
56.96534	1.4
65.03607	1.5
65.03940	27.4
67.05492	2.6
69.07069	6.6
70.07876	3.2
79.05492	19.0
81.07054	12.9
82.19937	0.8
91.05481	13.2
93.03400	6.7
93.07045	39.2
94.07329	1.1
95.04955	2.4
95.08602	3.2
98.03677	2.3
102.81618	0.8
103.05450	1.5
105.04501	1.1
105.07022	5.7
107.04956	1.6
107.08593	32.1
108.04459	1.1
109.06523	1.2
111.04445	5.5
119.08616	1.2
121.02863	38.9
121.03972	8.6
121.06474	4.2
121.10139	11.7
122.03209	3.4
126.05509	1.1
131.04936	2.6
131.08542	1.6
149.02342	100.0
149.06026	3.5
149.08299	2.1
149.09618	5.7
149.13261	18.5
150.02693	6.8
150.03743	1.6
150.05513	2.4
163.03914	1.1
167.03366	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
53.43848	0.9
55.01864	2.2
55.05507	3.4
58.77074	1.1
65.03943	26.4
67.05500	2.3
69.07061	4.8
71.05805	2.8
74.03575	1.0
79.05500	13.3
80.05836	1.0
81.07045	3.5
91.05479	12.4
93.03385	6.4
93.07044	25.2
95.04974	3.8
95.08611	1.4
98.03656	1.5
99.24503	1.0
101.37317	1.3
103.05468	5.0
105.07027	29.7
107.04966	1.4
107.08595	28.9
108.04482	1.7
109.06507	3.6
109.07638	3.8
110.08416	3.6
111.04443	7.1
117.04155	1.0
119.08595	6.5
120.09370	1.8
121.02865	41.4
121.03965	7.9
121.06517	6.2
121.10143	100.0
122.03192	2.0
122.06031	1.2
122.07132	2.4
122.10480	5.0
123.08057	5.2
123.09026	1.1
131.04924	3.7
131.08572	3.7
132.06609	1.4
133.07632	2.3
149.02347	93.0
149.05963	3.8
149.08060	4.7
149.09616	16.2
149.13257	13.1
150.02681	6.2
150.03729	2.0
150.05446	2.4
150.10239	5.3
167.03398	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	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41700	0.8
53.03945	1.3
54.50086	0.8
55.01863	2.1
55.05503	3.2
57.03425	0.7
57.07054	0.7
58.63648	0.6
63.50708	0.8
65.03942	28.8
67.05492	3.0
69.07085	5.4
70.60880	1.5
70.61283	1.5
75.69111	0.6
79.05490	8.4
81.07060	8.7
91.05482	10.1
93.03406	8.6
93.07047	26.9
94.07373	1.3
95.04971	2.4
95.08619	1.7
98.03664	1.7
103.05471	3.0
105.03401	0.8
105.07033	8.9
106.84746	0.9
107.04970	1.5
107.06079	0.7
107.07448	1.3
107.08595	23.3
108.04438	1.7
109.06519	1.8
110.14581	0.7
111.04453	7.6
119.08611	1.6
121.02869	45.4
121.03973	7.8
121.06509	6.4
121.10144	17.5
122.03209	3.3
122.06053	0.9
122.07137	1.2
122.09656	1.0
122.10473	0.9
123.08047	1.9
126.05535	1.0
131.02559	0.8
131.04932	2.5
131.08574	1.3
132.08060	1.2
133.07567	0.9
149.02350	100.0
149.05998	5.4
149.08377	1.6
149.09633	12.9
149.13264	15.8
149.14389	1.5
150.02676	8.3
150.03748	1.5
150.05486	2.0
150.07796	0.8
150.09021	3.5
150.10229	1.1
167.03419	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	1.4
53.40255	0.6
55.01874	1.5
55.05501	2.2
56.96555	0.8
65.03941	29.0
66.04279	0.7
67.05505	7.2
69.07063	3.2
70.20130	3.3
79.05492	11.3
79.71297	0.7
81.07053	18.2
83.08618	1.5
84.27143	0.7
91.05473	6.5
93.03400	9.1
93.07045	20.9
94.41671	0.8
95.04951	1.8
95.08597	2.8
97.28764	0.7
98.03668	1.6
103.05488	2.1
105.03362	1.0
105.07047	2.6
107.04956	4.6
107.08601	15.4
109.06492	1.6
111.04434	8.2
121.02866	40.2
121.03960	7.2
121.06497	5.3
121.10158	6.9
122.03211	1.7
122.06055	1.0
122.06946	0.9
131.01259	0.7
131.04907	2.0
131.08545	1.3
149.02344	100.0
149.05966	3.2
149.08472	1.3
149.09607	7.0
149.13245	13.5
150.02673	6.5
150.03734	1.6
150.05505	1.1
150.09126	1.9
150.13593	1.0
167.03407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
55.01858	3.2
55.05493	3.9
57.07058	1.8
59.02864	1.0
65.03613	1.9
65.03941	28.1
67.05496	1.4
68.05011	1.7
69.03436	1.4
69.07055	3.4
69.83914	2.7
69.84319	2.1
73.06567	4.1
78.75282	0.8
79.05499	13.5
80.05005	1.4
81.04520	1.5
81.07058	4.3
82.33363	0.8
83.08616	1.3
84.08154	1.1
85.04004	1.4
91.04971	1.5
91.05486	19.2
92.05865	0.9
93.03413	8.4
93.07040	29.3
93.07628	1.8
94.06541	1.1
94.07353	1.2
95.04941	2.9
95.06060	1.5
95.08639	1.3
98.03648	1.7
103.05476	3.3
105.06393	1.1
105.07033	13.9
107.04951	2.9
107.06084	1.5
107.08593	38.3
108.08889	1.1
109.06524	4.4
109.07638	4.0
110.08405	6.2
111.03839	0.9
111.04447	7.0
116.06282	1.8
119.06102	0.9
119.08606	3.4
121.02865	45.3
121.03965	8.2
121.06502	8.5
121.10143	29.8
121.11017	1.3
122.03191	2.6
122.06010	1.3
122.07144	3.2
122.10468	1.6
123.08084	2.4
123.09169	2.9
131.04948	2.9
131.08571	4.9
132.08878	1.0
133.07668	1.9
134.10893	1.1
149.02344	100.0
149.05997	5.2
149.08224	3.0
149.09618	22.6
149.10721	0.8
149.12177	1.6
149.13257	15.2
149.97775	7.8
150.02676	5.2
150.03757	2.1
150.05507	4.1
150.06578	1.5
150.09106	2.0
150.10252	9.0
150.13625	1.3
167.03442	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	149.0961
Annotation	Dehydrocarvacrol
Peak:m/z	Relative Intensity
50.99857	0.8
53.03939	1.7
53.54429	0.9
55.01866	3.2
55.05502	2.2
55.32460	0.8
56.96557	1.2
62.43351	0.8
65.03939	28.6
66.04266	0.9
69.03430	1.5
69.07057	2.1
71.58302	0.9
71.58709	1.6
77.03902	0.9
79.05492	12.0
81.07053	1.9
82.05266	0.9
83.81559	0.9
91.05475	18.5
93.03407	6.3
93.07042	31.7
94.07397	0.9
95.04985	4.7
98.03671	2.1
103.05500	5.9
105.04538	1.0
105.06384	1.5
105.07036	19.7
106.07819	2.5
107.04967	1.7
107.08594	6.9
109.06500	2.0
111.04469	6.4
116.06240	1.9
119.08570	3.7
121.02869	42.7
121.03973	7.6
121.06520	6.0
121.09310	1.8
121.10145	24.0
122.03216	1.2
122.07126	2.1
122.10449	2.2
123.08081	2.5
126.09886	0.8
129.06993	0.9
131.04916	3.4
131.08525	2.3
133.07617	1.7
147.04393	1.4
149.02347	100.0
149.05984	15.6
149.09618	82.1
149.13306	3.9
150.02730	5.4
150.03712	1.3
150.05389	1.7
150.10028	7.0
150.58072	0.9
167.03386	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	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03938	3.1
55.01857	3.3
55.05503	3.7
55.79208	0.9
64.69959	0.9
65.03938	22.6
65.07172	0.9
66.04261	1.6
69.03429	6.9
69.07055	4.1
71.14438	2.3
79.05068	1.2
79.05495	20.0
81.03413	1.1
81.04560	0.8
81.07027	3.0
86.95831	1.0
91.05479	43.6
92.05811	2.2
93.03410	7.4
93.07038	39.9
94.07348	1.8
95.04954	4.4
103.05460	11.6
104.05781	1.1
105.04509	1.3
105.07027	37.8
106.07272	1.3
106.07880	2.1
107.04949	3.2
107.08596	26.5
108.08899	1.1
109.06521	6.5
109.07633	2.2
110.08421	2.9
111.04440	6.4
115.05451	3.8
116.06229	11.3
117.06535	1.0
119.08593	7.8
121.02859	31.7
121.03969	5.7
121.06516	18.3
121.10139	74.5
122.03238	1.1
122.06061	1.0
122.07136	2.7
122.10508	3.4
123.08068	7.7
123.08910	1.4
129.07004	6.3
131.04942	8.4
131.08557	21.3
131.09521	1.4
132.08951	1.2
133.06561	1.9
133.07655	3.2
133.10052	1.0
134.07269	3.0
140.08127	1.1
147.08041	2.4
149.02345	77.6
149.06001	6.2
149.09615	100.0
149.13220	10.9
150.02708	4.5
150.05516	2.1
150.10101	8.2
163.94460	0.9
166.72031	1.0
167.03412	1.6
167.79584	1.0
169.03349	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	149.0597
Annotation	3-Isochromanone
Peak:m/z	Relative Intensity
53.03933	2.9
55.01863	2.6
55.02982	1.0
55.05514	0.8
56.96552	3.2
59.06111	1.1
65.03940	29.3
67.05496	1.8
68.05005	0.8
68.74026	0.7
69.03421	1.0
71.58214	1.1
74.02431	2.5
75.05585	0.8
76.04035	0.7
79.05491	22.3
79.26390	0.8
81.07038	1.1
83.06074	0.7
85.04015	0.9
85.04831	0.8
87.05565	0.9
88.07639	0.8
91.05479	11.5
91.66460	0.8
93.03395	6.6
93.04449	0.7
93.07040	25.0
93.07628	1.3
94.06551	2.4
94.07379	0.9
95.04961	3.9
95.06059	1.5
98.03668	2.9
102.01917	0.7
102.03375	0.8
103.05466	42.6
104.05793	2.3
105.03384	1.2
105.04477	1.8
105.07028	2.9
106.06541	1.5
107.04947	12.6
107.06027	0.9
107.08585	2.5
109.06490	2.9
109.07647	2.7
110.08433	3.6
111.04459	7.4
116.06222	1.1
121.02863	38.8
121.03953	6.0
121.06487	17.4
121.10133	2.4
122.03194	1.3
122.06013	1.9
122.06971	1.2
123.09188	1.9
125.58909	0.7
131.04939	5.6
131.08542	0.7
133.07602	1.5
147.49779	0.7
149.02339	100.0
149.05984	8.8
149.07124	1.3
149.08299	1.3
149.09631	5.1
149.11606	1.3
149.13181	0.9
150.02696	3.7
150.03737	0.9
150.05505	5.0
150.06482	0.8
150.07724	1.2
150.09184	0.9
150.10272	4.1
167.03418	1.3
169.03546	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
51.08224	1.2
52.60530	1.4
53.03932	1.7
55.05513	12.5
57.03416	1.3
58.50084	1.2
64.29771	1.4
65.03927	2.6
67.05493	1.9
69.07083	3.2
70.84043	1.9
70.84440	3.2
71.05010	2.4
79.05490	5.4
80.05039	2.3
83.15011	1.3
84.04509	4.1
85.02908	4.2
88.29695	1.3
91.05487	49.2
92.05801	2.6
93.07060	4.0
95.04951	1.3
101.02962	1.3
103.05468	3.4
105.04495	1.4
105.07034	83.7
106.06548	4.0
106.07362	3.9
107.08577	3.8
117.07024	10.0
118.07798	1.7
119.04947	19.9
119.08582	100.0
120.04469	2.5
120.08930	5.6
123.96478	2.6
130.02841	1.5
130.07625	1.6
131.08543	1.4
132.09349	3.9
135.49756	1.2
145.10135	8.2
147.04434	19.4
147.05501	3.1
147.06564	1.9
147.08008	6.5
147.11693	74.8
148.03899	3.8
148.07568	6.3
148.08607	2.5
148.12056	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
52.76633	1.1
53.03936	1.3
55.05515	8.7
56.96563	1.6
59.63468	0.9
64.92798	1.4
65.03932	3.5
67.05476	2.8
69.07057	4.4
70.07721	3.8
70.08136	2.0
79.05476	6.1
81.07079	1.3
84.04510	3.2
84.08132	1.3
84.75048	0.8
90.71215	1.0
91.05479	51.1
92.05803	1.3
93.07060	1.5
95.04937	1.5
96.86968	1.0
103.05453	3.4
105.07030	100.0
106.07355	4.3
107.04955	1.8
107.08584	4.6
108.06835	1.3
109.40985	1.1
117.07011	7.9
119.04944	20.2
119.08578	97.3
120.04453	1.3
120.05241	1.2
120.08112	1.4
120.08903	3.9
123.96447	2.7
129.07010	1.8
131.08540	1.5
132.09329	3.0
145.10117	7.1
147.04440	13.7
147.05496	2.1
147.06465	1.2
147.08063	9.2
147.11687	74.5
148.03864	2.1
148.04947	1.2
148.07550	3.9
148.08614	2.0
148.12067	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	147.0441
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
50.38259	0.5
52.96550	0.5
53.03949	0.5
55.01888	0.5
55.05524	2.5
62.84619	0.4
64.92806	0.7
65.03938	5.1
69.07081	0.7
69.66288	3.3
71.05001	0.7
76.32343	0.5
79.05495	1.0
81.07039	0.6
82.50829	0.6
84.04494	1.7
84.08157	0.6
85.02911	0.8
91.05482	100.0
92.05814	3.6
93.07084	0.9
95.04954	0.6
103.05483	1.2
105.07036	16.3
107.08608	2.2
117.07032	2.0
119.04947	76.2
119.08581	21.5
120.04499	1.0
120.05308	3.3
120.08892	0.6
123.96491	2.3
129.07036	0.7
132.09358	1.2
145.10139	1.3
147.04419	53.5
147.05357	2.2
147.08047	3.5
147.11679	13.4
147.12782	0.9
148.03804	1.0
148.04918	2.4
148.07581	1.0
148.12073	0.7
153.03906	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
50.80982	0.8
51.37914	0.7
53.03958	1.1
55.05508	4.2
65.03937	2.4
67.05476	1.0
69.07062	1.2
70.26656	3.5
75.78773	0.8
79.05486	4.1
84.04491	2.5
91.05482	49.7
92.05815	1.5
93.07056	2.4
95.04993	0.8
102.05552	0.9
103.05455	2.9
105.07034	40.7
106.07340	1.7
107.08606	9.0
117.07034	6.8
119.04944	37.9
119.08582	100.0
120.04509	1.3
120.05294	2.1
120.08133	1.5
120.08904	5.8
121.07633	1.1
123.96465	2.2
131.08606	1.6
132.09328	2.7
139.87061	0.7
145.10130	4.4
147.04416	21.7
147.05489	1.4
147.08022	2.9
147.11684	52.2
148.03831	1.8
148.04863	1.7
148.07567	2.2
148.08676	1.2
148.12006	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	146.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.7
56.05027	1.6
56.96562	4.2
57.03434	1.4
58.06603	1.0
59.05003	0.6
60.04512	0.6
60.05649	2.7
60.08163	41.1
61.02926	0.9
64.92817	0.4
69.03421	2.6
70.03167	1.8
70.06579	1.2
72.08134	0.7
73.02899	1.2
74.06085	0.9
74.97608	0.5
75.55639	0.4
80.17139	0.3
80.28719	0.3
82.06581	1.6
83.04989	0.5
84.01551	0.7
84.04504	25.6
84.08143	8.7
85.02901	1.6
85.06532	0.5
86.06071	10.2
87.04467	100.0
88.04769	2.6
88.07649	0.6
89.02597	0.4
91.05479	1.8
93.02059	0.5
96.01514	0.5
97.02867	0.9
98.97585	2.3
99.04433	0.6
100.07610	2.6
101.01738	0.9
101.07147	1.0
102.05530	0.9
104.01299	0.6
104.07099	2.8
110.01303	0.8
111.02062	0.6
111.05552	1.3
116.01283	1.0
116.98626	1.6
118.06532	1.0
119.01822	1.3
119.04950	1.5
123.96452	0.5
125.01787	0.5
128.02316	1.0
128.07071	1.8
128.08194	1.7
128.98651	0.8
130.05002	12.0
130.08632	1.6
134.02316	1.9
134.99649	0.8
143.02908	0.6
146.06000	1.1
146.08098	1.9
146.09250	9.6
146.11760	43.5
146.99670	0.9
147.07663	0.6
147.11092	0.6
147.12128	1.6
149.01257	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51874	2.8
56.96552	8.1
59.06106	3.5
60.95855	30.4
67.83728	3.0
69.03448	4.1
70.06584	5.2
70.56405	11.4
71.04966	4.2
75.94550	6.4
78.80128	3.7
89.01736	3.8
89.51566	10.7
92.27280	3.0
98.97548	3.5
99.04446	9.4
101.85116	3.3
102.00985	3.4
102.52483	3.4
102.96867	92.1
103.00622	12.5
109.07645	4.6
113.38118	3.1
114.50993	3.8
119.01929	32.1
120.02015	36.6
120.03303	5.1
120.97908	100.0
121.01666	94.6
121.02310	3.0
122.82069	3.1
123.03720	3.6
129.49309	6.4
137.02960	13.6
138.03069	19.0
138.04131	4.3
138.49854	38.6
138.98940	74.4
138.99905	7.0
139.02687	42.3
142.03508	13.8
143.99440	3.8
144.03212	34.4
150.00684	21.7
150.50598	4.3
156.99995	12.4
160.04532	5.4
162.00536	4.6
162.04329	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	146.0601
Annotation	Indole-3-carboxyaldehyde
Peak:m/z	Relative Intensity
53.03933	0.5
69.91871	0.9
69.92272	1.8
86.06097	0.5
86.09699	0.6
91.05482	19.6
92.05804	0.7
98.20686	0.6
100.04783	0.8
100.07645	0.9
103.05550	0.4
105.07042	2.4
117.05765	4.3
118.06544	100.0
119.04982	2.1
119.06145	0.5
119.06876	4.6
119.08562	3.0
125.68029	0.4
128.79710	0.4
146.06010	21.5
146.07962	0.8
146.10422	0.5
147.04369	1.6
147.05394	0.5
147.08035	1.7
147.11684	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	146.06
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56512	0.2
55.05483	0.2
58.69398	0.2
65.03929	0.4
69.40884	1.7
74.02747	0.2
77.62041	0.2
85.02913	0.2
86.06069	0.2
87.04464	0.3
91.05479	18.9
92.05798	0.5
96.37944	0.2
100.04779	0.2
100.07615	0.7
105.07012	1.2
109.06476	0.2
117.05756	3.7
117.07025	0.4
118.06537	100.0
119.04957	1.9
119.06077	0.4
119.06873	4.3
119.08593	1.4
123.96419	0.3
146.06007	19.4
146.08029	0.6
146.10468	0.5
147.04428	1.9
147.06384	0.9
147.08075	0.9
147.11688	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	1.5
55.05516	2.2
57.03406	0.5
57.07071	1.6
57.59558	0.4
58.57020	0.4
59.05005	0.6
59.06121	0.4
60.04521	0.7
60.95845	0.9
61.77414	0.4
67.05492	1.0
67.14185	0.4
69.03433	6.6
69.07070	0.6
69.59435	1.0
69.59850	2.0
70.06576	1.1
71.01299	0.4
71.04996	10.3
73.06551	1.6
79.05507	0.7
81.07040	0.9
83.04987	1.8
83.08616	1.6
84.04512	0.7
85.02894	1.6
85.06550	5.5
97.02887	6.2
97.06515	0.4
97.10155	1.5
98.06033	2.4
98.20755	0.8
102.05502	0.6
102.96882	0.5
107.08603	4.0
111.07945	0.6
119.01904	0.5
120.02493	0.4
125.02347	8.1
125.09633	2.0
128.06213	1.7
139.01819	1.2
143.03397	100.0
143.08559	1.1
143.10706	0.8
144.03752	4.4
144.06555	2.3
144.08018	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.1068
Annotation	trans-2-Octenoic acid
Peak:m/z	Relative Intensity
50.54652	1.2
54.96318	1.2
55.01865	1.6
55.05521	8.4
57.07073	10.5
59.04993	2.8
60.86045	1.4
64.29928	1.1
67.02572	1.1
67.05496	5.2
69.03432	9.3
69.07082	2.3
69.62795	3.0
69.63210	7.1
71.04996	58.6
72.05331	2.3
72.45900	1.5
72.50758	1.2
73.06551	6.8
79.05484	1.8
79.62090	1.3
81.07049	3.5
83.04980	6.4
83.08607	4.4
83.68045	1.3
85.02899	2.5
85.06548	26.3
91.05486	2.8
97.02909	6.7
97.10175	10.5
98.06055	3.5
105.88328	1.2
107.08606	20.1
109.06535	1.4
125.02357	10.1
125.09637	15.0
128.06238	2.5
142.36954	1.4
143.03401	100.0
143.10693	5.1
144.03705	3.2
144.06548	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	142.1227
Annotation	(-)-Pelletierine
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	2.1
56.05029	5.9
56.96553	0.8
57.03426	2.2
57.07074	1.0
58.06597	0.7
59.06120	3.4
59.93104	0.7
60.04534	1.9
67.05485	1.2
68.05029	14.1
69.03082	0.5
69.03429	6.7
69.05357	0.7
69.07079	2.6
70.06581	0.8
70.93378	0.7
70.93726	0.9
71.01372	0.6
71.04975	1.2
71.08637	2.7
72.04514	24.2
72.08131	0.5
74.06075	0.5
77.27290	0.4
79.05497	1.2
80.05003	1.4
81.07049	1.3
82.06576	3.8
83.01332	0.4
83.04959	0.6
83.06101	1.6
83.08606	0.8
84.04480	1.3
84.05590	0.4
84.08143	6.0
85.06506	0.5
86.06057	5.6
86.08433	0.5
93.07063	0.5
95.08607	3.1
96.08139	1.2
96.08990	0.5
97.02888	6.1
97.06521	2.4
97.07657	1.0
97.10150	0.5
98.97590	0.5
99.05577	3.1
100.07620	0.9
100.08733	4.3
101.07134	1.7
107.08600	0.5
109.08868	0.4
109.94874	0.4
112.08723	1.2
116.98594	0.5
118.96752	1.5
119.01888	2.0
124.04004	0.8
124.07619	0.8
124.11230	18.8
124.12142	0.9
125.02355	9.3
125.03408	1.0
125.05989	1.8
125.07102	0.8
125.09583	0.5
128.06213	4.2
130.52605	0.4
137.02928	1.0
141.06984	1.4
142.04991	1.7
142.06064	0.7
142.07663	1.4
142.08649	2.8
142.09802	1.9
142.12268	38.5
143.03389	100.0
143.08499	2.8
143.12610	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	140.0019
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96565	27.4
58.02964	1.1
58.95416	2.2
67.41550	0.6
69.37058	5.9
71.95267	3.8
73.02916	0.8
74.09704	2.1
90.01556	0.6
94.06548	1.4
97.02881	1.6
98.07162	2.9
98.21461	0.9
98.97584	32.6
99.05559	1.1
104.01260	1.0
104.32034	0.7
110.01286	1.2
113.02357	0.7
116.98619	55.6
117.99062	2.2
119.01791	1.9
122.06046	10.4
122.07082	1.4
128.02296	1.7
134.01245	0.7
134.99655	100.0
136.00102	4.9
137.02850	0.6
140.00156	2.3
140.03395	0.6
140.05934	1.7
140.06981	4.7
140.08089	1.3
141.01765	1.6
153.00710	29.8
158.01285	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	140.002
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63631	0.7
56.05030	3.0
56.96564	31.1
59.06123	1.0
71.09557	1.2
71.95259	2.7
72.08169	0.9
81.04559	0.9
82.02947	0.9
83.06116	1.8
84.04497	1.1
95.06110	2.0
96.05627	1.9
97.06430	1.0
98.07188	1.6
98.97582	99.0
99.05566	1.7
99.97890	1.0
100.06374	1.3
103.69553	0.6
113.07133	1.7
116.98619	100.0
122.07148	1.5
123.05519	1.6
134.99655	70.2
136.00000	1.2
140.00211	3.2
140.03424	1.1
140.07144	1.1
140.08148	5.9
151.80484	0.7
153.00706	13.2
158.01221	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	142.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41742	1.8
55.01865	5.2
56.96560	16.7
57.03441	11.7
60.95139	4.7
61.02921	3.9
68.02663	1.9
69.03430	6.8
71.04590	4.0
71.04948	3.2
72.48334	2.2
73.02921	20.6
77.00864	3.5
78.52953	2.4
79.51877	2.0
81.03409	6.1
81.04546	15.5
85.02906	7.1
85.74209	1.7
86.03683	2.3
86.52692	2.0
87.01912	2.2
88.02681	7.4
90.01556	2.5
90.34639	2.0
92.52732	1.7
93.01871	2.5
93.53465	4.3
95.01896	3.1
95.06077	9.2
96.01526	2.1
96.02430	2.0
96.04614	2.0
97.02888	10.9
98.97581	11.9
99.04453	2.3
99.53462	9.3
100.02483	15.5
101.00864	11.1
102.02399	8.9
105.02126	2.9
109.02888	3.9
109.34021	1.8
110.01276	5.3
110.53698	1.8
111.02931	4.0
113.53208	10.7
116.98625	14.0
118.01143	1.7
118.03524	19.7
118.99142	3.4
119.01911	100.0
119.98781	4.0
120.02023	4.5
120.03443	1.9
122.53722	7.8
124.02463	2.1
125.02333	3.2
125.07092	7.5
128.02309	5.7
128.98564	2.1
131.01941	9.5
131.54282	3.3
133.03487	2.1
133.04453	1.8
134.04431	2.0
134.99666	14.2
136.04570	2.1
137.00179	6.5
137.01964	3.1
137.02956	48.0
137.99779	11.0
140.00233	2.2
141.02684	3.5
142.03503	32.2
143.01805	2.8
143.02216	2.5
143.03389	29.9
143.08118	8.6
143.11781	4.2
146.99661	1.9
147.01430	2.1
149.02931	2.2
153.00713	2.9
154.03529	5.0
157.03450	1.8
158.01335	4.4
160.04567	12.7
161.02902	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	137.1326
Annotation	gamma-Terpinene
Peak:m/z	Relative Intensity
52.97890	0.9
53.03942	2.4
55.05514	4.2
57.07074	11.2
58.51035	0.8
60.07210	0.8
60.52368	0.8
65.19639	0.9
65.23576	0.8
67.05502	17.5
69.07058	7.2
69.49206	0.8
72.04507	1.8
79.05492	7.8
81.07058	83.4
82.07382	2.9
85.85753	0.8
91.05476	3.6
93.07063	6.3
94.04170	3.1
95.04973	2.2
95.08607	100.0
96.08943	4.4
97.06397	2.8
98.20706	1.7
109.06510	3.6
109.10162	9.1
110.06001	1.7
110.07149	3.2
111.05549	1.0
120.04438	1.6
121.02909	1.0
122.03654	4.6
137.02412	3.5
137.05968	11.9
137.06973	1.5
137.08209	2.0
137.09645	4.1
137.10562	1.0
137.13252	19.2
138.01700	1.9
138.05487	4.0
138.06551	3.5
138.09151	3.2
138.10182	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	139.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24708	2.1
53.03949	3.1
54.03461	6.5
55.01868	6.6
55.05518	13.3
56.05024	16.2
56.96563	100.0
57.03439	2.6
57.04558	3.0
58.02972	3.0
58.06577	2.9
59.05003	3.8
59.06112	9.0
60.04509	2.5
65.03938	18.2
67.03020	2.7
67.05507	11.0
68.05021	4.0
69.03426	21.2
69.07063	8.9
70.06592	4.1
71.06126	10.9
71.58688	3.2
71.95258	4.5
74.50301	2.3
79.05478	10.4
80.05030	3.5
81.04532	5.6
81.07043	5.9
82.02935	6.4
83.04977	13.6
83.06100	9.6
84.04485	8.0
91.05497	3.2
93.03396	7.7
93.07036	21.3
94.06551	6.3
95.04956	7.6
95.06075	9.3
95.08607	17.3
96.04446	2.5
96.05605	9.0
97.06522	19.6
97.07648	4.7
97.99152	3.0
98.07178	45.9
98.97576	54.2
98.98419	11.2
99.05579	18.0
100.06272	2.7
101.31141	2.3
105.07027	10.6
108.67629	2.1
110.37202	2.0
111.04443	35.8
111.08086	3.7
112.03992	3.1
112.04733	3.5
112.07607	2.9
112.08727	2.9
113.07127	8.6
116.97232	9.4
116.98610	67.3
121.02850	7.7
121.04050	3.5
121.06524	2.4
121.10138	33.5
122.06038	3.9
122.07130	19.0
122.10487	3.1
123.05557	27.0
127.40787	2.2
134.99649	68.5
139.03888	11.4
139.04919	4.3
139.07512	7.9
139.08698	3.6
139.09756	14.7
139.11197	33.2
139.12230	5.1
140.03386	11.0
140.07077	5.7
140.08180	42.5
140.10646	2.6
140.11647	4.8
141.06610	5.0
153.00717	10.2
158.01224	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	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
51.73930	1.2
53.03933	4.3
54.03469	2.1
55.01863	2.2
55.05509	9.6
56.05023	2.9
57.03436	1.9
57.07074	8.1
57.22868	1.1
59.53752	1.1
59.74458	1.1
59.77512	1.1
61.24616	1.1
65.03950	6.1
67.05502	82.2
67.70605	1.2
68.05009	2.5
68.05824	1.7
69.03414	4.0
69.04542	3.0
69.07070	12.1
70.06562	1.6
70.67580	1.2
70.96199	3.3
72.04502	3.8
79.05491	18.4
81.03428	2.2
81.04543	9.3
81.07054	100.0
82.06582	3.1
82.07407	2.0
83.06093	2.8
86.35035	1.3
91.05486	27.4
93.07040	23.8
94.02902	1.8
94.04207	10.3
95.04972	16.4
95.06073	3.1
95.08604	96.7
96.05657	3.1
96.08945	3.0
97.06384	11.2
97.07662	2.4
98.04802	2.7
105.07051	4.0
107.04939	5.3
107.08590	24.4
109.06512	31.2
109.10150	77.2
110.06033	3.2
110.07182	11.1
110.09702	1.7
110.10464	2.4
110.58514	1.5
111.05554	4.5
111.09196	2.0
117.07019	1.9
119.04948	2.9
119.06049	1.3
119.08572	13.5
120.04451	2.2
120.05618	2.3
121.06519	3.0
121.07591	2.0
122.03651	14.6
122.07289	21.0
123.06820	1.8
137.02461	9.6
137.05971	41.3
137.07115	2.2
137.08231	12.2
137.09607	77.1
137.13249	17.7
138.01755	1.3
138.05479	12.6
138.06586	11.4
138.09122	9.5
138.10147	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	137.0961
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
53.03941	1.4
55.05501	1.7
55.78983	0.5
57.07066	1.5
57.97330	0.5
65.03920	0.7
67.05503	20.1
68.05849	0.7
69.03417	1.0
69.07058	2.0
69.39624	4.3
69.40038	0.8
72.04514	0.8
79.05479	3.9
81.04535	0.9
81.07052	21.5
82.06578	0.6
91.05486	7.9
93.07034	4.0
94.04185	1.5
94.07832	0.8
95.04975	3.4
95.08603	22.4
97.06403	2.6
98.16773	0.6
103.05486	0.8
107.04950	10.7
107.08584	1.3
109.06503	2.5
109.10155	27.2
110.06046	0.8
110.07151	2.3
111.05612	0.7
111.11559	0.5
117.07009	0.8
119.08569	10.3
121.06497	6.6
122.03651	2.9
122.07284	62.7
123.07605	1.7
124.70094	0.4
130.24417	0.5
135.08052	2.4
137.02402	1.8
137.05994	8.9
137.09612	100.0
137.13139	2.6
137.39461	0.6
138.01741	0.7
138.05463	1.9
138.06567	2.0
138.09962	5.2
157.09537	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03933	4.0
54.03447	3.0
55.01855	4.5
55.05516	7.5
57.07077	7.1
57.81957	1.1
65.03938	2.9
66.04666	1.0
67.05504	61.8
68.05025	3.7
68.05818	1.6
69.03422	2.8
69.04539	4.2
69.07066	6.7
71.60265	2.2
72.04502	1.5
79.05491	11.9
80.05035	2.2
81.03418	3.3
81.04547	9.3
81.07057	69.2
82.06570	3.1
82.07362	1.8
83.04964	2.3
83.06094	2.8
83.19699	1.0
91.05479	24.4
92.05791	2.0
93.07056	13.4
94.04190	8.5
94.06534	1.8
95.04975	16.3
95.06090	3.8
95.08605	65.5
96.05624	3.7
96.06888	1.3
96.08918	3.1
97.04009	1.2
97.05829	1.1
97.06407	12.0
97.07670	2.3
98.04792	2.7
104.06243	1.3
107.04963	11.6
107.08594	8.5
108.05771	1.2
109.05788	2.3
109.06516	43.1
109.07638	2.0
109.10152	56.4
110.06045	2.5
110.07190	10.7
110.10468	1.9
111.05567	4.1
111.09226	1.3
117.06992	2.3
119.04951	1.7
119.06068	1.9
119.08577	16.0
120.04460	1.3
120.05557	3.1
121.06501	5.3
121.07597	2.3
122.03647	10.1
122.07283	46.4
135.08051	2.7
137.02492	7.8
137.05960	26.4
137.08252	9.1
137.09615	100.0
137.13222	10.1
138.01753	1.7
138.05489	9.2
138.06606	8.5
138.09119	4.9
138.10144	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	136.9401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.8
57.03419	0.3
57.07075	0.8
58.06592	0.3
65.03929	0.5
67.05517	2.6
69.07071	0.7
69.96315	0.3
69.96500	0.6
69.96911	1.2
74.09252	0.3
77.71852	0.3
81.07062	6.6
86.70888	0.3
91.05482	0.9
92.05002	1.6
93.05799	0.8
93.07044	1.4
94.06571	13.4
95.08609	6.5
96.04520	1.9
109.06519	0.5
110.06044	10.5
119.01939	0.6
119.04960	0.3
123.76884	0.3
126.33969	0.3
131.01988	0.4
132.02074	0.4
137.02438	0.8
137.05997	1.1
137.09711	0.4
137.10762	0.6
137.13274	1.5
138.05508	100.0
154.05040	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.26147	1.0
51.02387	1.1
55.05496	1.8
57.07055	3.3
66.04359	1.1
66.04712	3.3
67.05495	8.7
69.07053	1.8
71.04469	2.6
77.03973	1.4
79.05495	6.1
81.06577	2.3
81.07053	36.9
85.59640	1.0
88.45581	1.3
91.05479	4.6
93.07036	2.3
94.04185	28.5
95.05017	2.2
95.08602	34.1
96.40560	1.3
99.71101	1.2
104.35939	1.1
107.04964	1.8
109.06492	2.4
109.10110	2.6
111.04329	1.2
116.70090	1.2
122.03647	46.1
123.03896	1.6
137.02429	3.4
137.05974	100.0
137.09596	2.5
137.13237	6.4
138.05460	3.4
138.06332	3.6
138.80046	1.2
151.06784	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	137.0598
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03955	0.5
55.01896	0.4
60.82736	0.3
64.00541	0.2
64.34561	0.3
65.03954	1.0
66.04726	2.8
67.05518	1.0
67.83934	0.2
70.56960	0.6
71.37286	0.3
77.03955	0.4
79.05503	3.6
81.07066	4.7
91.05478	2.5
93.06998	0.3
94.04193	26.4
95.04493	0.7
95.05043	0.7
95.08614	3.1
102.56090	0.3
105.03396	0.4
107.04978	1.4
109.06537	0.4
122.03658	44.2
123.03981	1.8
135.04443	0.7
137.05984	100.0
137.13248	0.3
138.05492	0.4
138.06339	4.0
141.84406	0.3
151.53835	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	136.0757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	7.1
54.03458	3.0
54.20839	0.8
55.01871	1.1
55.04242	1.1
55.05499	3.3
56.05851	0.9
57.07061	3.6
58.52607	0.7
65.03937	3.5
67.02975	1.3
67.05170	1.3
67.05502	17.1
68.04677	1.2
68.05028	18.7
69.03413	2.0
69.04519	1.2
69.07074	3.8
70.02943	1.0
71.57817	1.6
77.03931	1.0
78.97742	0.8
79.05499	8.0
80.05006	2.5
80.05807	2.5
81.03412	2.2
81.04532	4.0
81.05787	1.0
81.07053	45.1
82.06564	1.6
83.06096	2.5
88.35117	0.8
91.05478	28.9
92.05816	5.1
93.05801	4.8
93.07040	19.9
94.04164	6.1
94.06561	1.8
94.07371	5.4
95.04971	16.4
95.06074	8.9
95.08606	43.2
96.04481	0.9
96.05634	1.7
96.06865	14.7
97.06390	5.3
105.04506	3.2
106.07381	1.5
107.04960	2.6
107.08594	3.9
108.04501	1.7
108.08108	9.1
108.08919	11.8
109.01110	5.4
109.01728	0.9
109.06535	7.7
109.07642	12.4
109.10139	9.5
110.07204	6.5
118.06541	2.6
118.07352	1.0
119.03543	2.6
119.04948	2.6
119.06027	1.7
119.08576	2.9
120.08919	2.3
121.06419	1.5
122.03652	10.2
122.07286	9.2
126.05496	4.5
136.02162	100.0
136.03922	6.0
136.05067	4.0
136.06190	55.2
136.07568	74.4
136.08670	21.9
136.11122	2.0
136.12012	5.6
137.02483	6.9
137.03372	1.0
137.04616	2.8
137.05966	28.7
137.07104	1.4
137.08115	7.6
137.09613	19.6
137.13257	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	136.0619
Annotation	Adenine
Peak:m/z	Relative Intensity
55.67872	0.1
56.96555	0.2
60.58578	0.2
67.02982	0.3
69.92338	0.9
73.66579	0.2
79.89768	0.1
81.07059	0.5
92.02479	0.3
93.26231	0.1
94.04055	2.6
95.08632	0.2
98.21467	0.2
109.05127	0.4
112.05085	0.3
119.03551	5.6
119.06170	0.1
136.06183	100.0
136.99634	0.2
137.04602	5.2
137.06647	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	136.0757
Annotation	2-Phenylacetamide
Peak:m/z	Relative Intensity
51.02370	0.3
52.19021	0.3
53.03949	0.7
54.03477	1.4
54.04292	0.3
55.01856	0.5
55.04253	0.4
55.05518	1.0
56.05042	0.6
56.96556	1.3
57.07062	1.3
59.04996	0.9
60.04515	0.9
65.03937	1.0
67.02971	0.3
67.05507	3.8
68.05030	4.5
69.03423	1.0
69.04547	0.9
69.07060	1.3
70.06597	0.6
70.61108	0.8
71.04993	0.8
74.06079	0.4
75.20203	0.3
79.05497	3.1
80.05015	1.3
80.05830	0.4
81.03399	0.9
81.04541	4.3
81.07056	17.1
82.06567	1.3
83.04987	0.4
83.06101	0.9
88.05911	0.6
88.07634	0.4
91.05479	45.8
92.05797	1.6
93.05794	0.7
93.07051	4.5
94.02940	0.5
94.04093	3.2
94.06559	1.1
95.04966	2.3
95.06089	4.4
95.08604	14.3
96.05609	1.4
96.06866	4.9
97.06396	3.0
107.04966	1.8
108.04517	0.7
108.05318	0.5
108.08116	1.2
108.08888	0.7
109.01105	3.3
109.02842	0.4
109.05096	0.5
109.06519	3.8
109.07642	6.6
109.10141	1.4
110.06062	0.4
110.07177	3.6
112.05090	0.6
118.06559	2.4
119.01958	0.3
119.03599	4.7
119.04935	12.9
119.06033	1.5
120.05481	0.5
122.03658	1.0
136.02168	50.1
136.03937	3.1
136.06184	100.0
136.07552	19.9
136.08670	8.2
137.02464	3.4
137.04584	5.7
137.05968	6.5
137.08144	4.7
137.09590	1.6
137.10715	1.2
137.13257	2.6
153.71474	0.3
153.83183	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	136.0618
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68303	0.2
54.05966	0.2
55.01861	0.3
56.96552	0.7
57.03405	0.2
61.02894	0.2
67.02968	0.3
67.05491	0.3
69.03403	0.2
69.54472	1.3
70.54226	0.2
71.33691	0.2
73.02867	0.2
73.12263	0.1
79.05499	0.3
80.05009	0.2
81.07047	1.8
83.00771	0.2
83.04939	0.2
88.07611	0.2
89.30303	0.2
91.05479	1.3
92.01296	0.5
92.02521	0.3
93.05618	0.2
93.07043	0.3
94.04060	2.1
95.04943	0.2
95.08591	1.5
98.97569	0.2
101.00845	0.3
104.01266	0.2
109.01086	0.2
109.05108	0.3
109.06490	0.3
109.77402	0.2
112.05106	0.2
113.00972	0.3
113.01776	0.5
114.02546	0.2
118.03497	0.3
118.06606	0.2
119.01931	1.0
119.03548	6.3
119.04874	0.4
130.30357	0.2
131.01906	0.8
136.02164	4.9
136.06181	100.0
137.03001	0.3
137.04590	5.3
137.06639	2.6
137.09569	0.2
137.13254	0.4
149.02934	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03936	3.2
54.03472	0.8
55.05509	9.9
57.07071	1.2
65.03939	1.4
65.23233	0.7
67.05495	2.4
68.05017	3.2
69.07066	3.0
70.80735	2.6
78.88884	0.8
79.05054	1.5
79.05492	18.8
81.07048	3.5
91.05476	27.4
93.07041	47.3
94.07359	1.5
95.04979	5.3
96.06861	1.7
102.71261	0.8
105.07021	15.7
107.04958	2.9
107.08593	100.0
108.08932	3.3
109.01092	1.2
109.06538	6.2
116.18554	0.8
117.07006	1.2
119.06072	2.6
119.08581	8.1
120.09352	1.7
135.04431	2.1
135.05461	1.3
135.06529	1.3
135.08070	2.0
135.11691	32.0
136.02162	32.1
136.03827	1.4
136.05118	1.3
136.06198	8.2
136.07590	1.5
136.08620	1.5
136.12053	1.4
144.85164	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01880	1.3
55.05515	8.3
65.03945	4.0
67.05513	2.5
68.05013	5.3
69.07067	3.2
70.06077	2.8
70.06467	2.2
77.03924	1.3
79.05060	2.0
79.05498	30.9
79.05971	1.6
81.07058	4.7
87.05607	2.4
91.04898	1.5
91.05482	39.0
93.07045	69.5
94.07368	1.9
95.04964	9.2
95.06074	2.6
96.06872	3.4
105.04546	1.4
105.07036	16.3
107.04970	3.8
107.08598	100.0
108.08920	2.5
109.01139	2.2
109.06529	7.9
109.07647	4.3
115.05495	1.5
117.07011	3.5
118.06582	1.8
119.06091	2.2
119.08574	9.3
120.09418	1.7
135.04440	4.7
135.05656	1.4
135.06673	1.7
135.06873	1.8
135.08069	23.6
135.11697	33.4
136.02171	38.6
136.03851	1.8
136.05135	2.1
136.06198	17.3
136.07578	4.4
136.08670	4.9
136.12093	1.6
151.38092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.56797	1.1
53.03941	3.6
55.05506	7.7
62.00857	1.2
65.03932	2.4
67.05506	3.5
68.05008	3.9
69.07066	4.3
71.18597	3.4
74.63994	1.1
79.05488	25.7
81.07055	5.3
91.05474	34.5
93.07041	50.7
94.07376	1.8
95.04984	6.9
95.06089	2.1
96.06868	3.0
105.04530	2.0
105.07021	16.5
107.04955	5.3
107.08591	100.0
108.08916	3.3
109.01115	2.0
109.06515	6.1
109.07648	1.8
115.05392	1.7
117.07017	2.7
119.03507	1.2
119.06065	1.8
119.08567	6.8
120.09341	1.9
135.04424	4.7
135.05450	1.7
135.06645	3.1
135.08093	8.2
135.11690	33.5
136.02159	65.8
136.03896	2.7
136.05132	2.2
136.06186	18.7
136.07553	3.3
136.08661	3.3
136.12077	1.7
137.04553	1.5
141.77016	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
50.44167	0.6
51.02369	0.9
53.03938	3.3
54.03473	0.8
55.01863	0.7
55.05511	4.5
57.07095	1.0
60.72819	0.6
65.03936	5.0
67.05508	3.5
68.05031	4.8
68.79160	0.6
69.03419	1.0
69.07058	2.7
69.40375	0.6
71.15036	0.9
71.15359	0.9
79.05496	34.7
81.07063	2.5
87.05584	0.9
91.05483	49.9
92.05796	1.5
92.06300	1.2
93.07047	39.5
94.07366	0.8
94.86617	0.7
95.04985	6.1
95.06097	2.2
96.06868	3.3
105.04539	1.1
105.07035	20.3
107.04961	6.2
107.08597	100.0
108.08223	0.8
108.08887	3.5
109.01116	1.8
109.06519	12.4
109.07671	2.2
115.05460	3.6
117.07013	2.4
119.03583	0.7
119.06074	4.4
119.08579	7.1
120.09365	1.8
124.05199	0.7
135.04472	6.4
135.05457	1.2
135.08058	70.7
135.11688	23.2
136.02168	41.2
136.03925	2.1
136.05122	1.0
136.06194	15.5
136.07533	3.4
136.08438	5.5
137.09605	0.8
138.69656	0.7
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
51.89776	0.7
53.03946	4.4
54.03461	0.7
54.48968	0.7
55.01871	1.9
55.05507	7.6
56.96574	1.2
65.03943	2.4
65.86501	0.7
66.63385	0.7
67.05507	3.5
68.05022	7.5
69.03417	1.1
69.07060	2.7
69.53444	6.5
75.05624	0.8
75.90340	0.7
77.03928	1.2
78.05894	0.7
79.05489	26.5
80.05016	1.6
81.07053	4.4
82.06583	0.7
83.06108	0.8
84.09663	0.6
87.05587	2.1
91.05474	38.1
92.05802	0.7
93.07036	62.0
94.04018	0.8
94.07353	1.7
95.04958	10.8
95.06079	3.9
96.06875	5.4
98.20695	0.6
98.49636	0.7
103.05466	1.6
105.04510	2.2
105.06364	0.6
105.07026	16.2
107.04949	9.5
107.08588	100.0
108.05622	1.0
108.08106	3.0
108.08910	3.5
109.01113	3.3
109.06500	6.5
109.07624	4.1
115.05470	2.4
117.07000	3.1
118.06556	0.8
119.03513	1.2
119.06066	2.7
119.08572	10.2
120.09353	2.4
126.05495	1.4
135.04395	11.2
135.05521	2.3
135.06444	3.3
135.08058	19.4
135.10085	1.2
135.11682	34.9
136.02158	63.1
136.03897	4.0
136.05026	2.2
136.06177	24.8
136.07559	20.4
136.08665	7.1
136.11110	1.1
136.12045	1.6
137.04602	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	6.1
55.01880	1.3
55.05515	8.3
65.03945	4.0
67.05513	2.5
68.05013	5.3
69.07067	3.2
70.06077	2.8
70.06467	2.2
77.03924	1.3
79.05060	2.0
79.05498	30.9
79.05971	1.6
81.07058	4.7
87.05607	2.4
91.04898	1.5
91.05482	39.0
93.07045	69.5
94.07368	1.9
95.04964	9.2
95.06074	2.6
96.06872	3.4
105.04546	1.4
105.07036	16.3
107.04970	3.8
107.08598	100.0
108.08920	2.5
109.01139	2.2
109.06529	7.9
109.07647	4.3
115.05495	1.5
117.07011	3.5
118.06582	1.8
119.06091	2.2
119.08574	9.3
120.09418	1.7
135.04440	4.7
135.05656	1.4
135.06673	1.7
135.06873	1.8
135.08069	23.6
135.11697	33.4
136.02171	38.6
136.03851	1.8
136.05135	2.1
136.06198	17.3
136.07578	4.4
136.08670	4.9
136.12093	1.6
151.38092	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03939	3.5
55.05308	0.9
55.05515	10.7
57.68018	0.9
65.03931	1.7
67.01349	0.8
67.05483	2.9
68.05036	4.8
69.03432	1.1
69.07053	1.9
69.78646	3.0
69.79060	2.7
79.05495	28.0
80.04979	1.1
81.07043	3.8
87.05582	3.7
91.05481	41.2
92.05808	0.9
93.04516	0.9
93.07043	78.3
94.07391	2.3
95.04973	11.0
95.06078	2.1
96.06878	4.3
98.20748	1.1
105.04531	0.9
105.07026	16.0
107.04940	2.9
107.08597	100.0
108.08916	3.7
109.06552	6.4
109.07646	3.5
117.07025	2.9
119.03536	1.1
119.06088	1.6
119.08591	10.7
120.09374	3.6
133.10114	1.5
135.04436	3.8
135.08060	11.7
135.11693	38.5
136.02165	20.5
136.05157	1.5
136.06186	16.6
136.07568	2.2
136.08601	5.4
136.12000	1.9
137.09642	1.3
138.82776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1169
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.34207	0.9
53.03949	4.9
54.03468	2.5
55.01869	3.0
55.04243	0.9
55.05511	8.1
56.96567	3.0
57.07061	0.9
57.22716	0.8
59.06124	2.2
60.04540	5.1
64.31035	0.9
65.03940	2.8
67.02972	1.1
67.05504	5.1
68.05029	13.5
69.03438	1.7
69.07067	5.2
71.57816	1.4
72.74931	0.8
75.05608	4.8
76.03996	2.8
79.05493	31.7
80.05023	1.2
80.05847	1.4
81.04541	2.0
81.07043	4.8
81.20380	1.0
82.06570	1.2
83.06111	1.9
87.05590	19.1
91.05482	50.6
92.05793	2.4
92.06310	1.2
93.04547	1.2
93.07045	56.8
94.06567	1.8
94.07349	1.7
95.04966	11.0
95.06070	8.5
96.06875	13.9
105.04521	1.8
105.07032	21.2
106.07294	0.9
107.04955	13.3
107.08591	100.0
108.04533	1.3
108.05587	1.3
108.08132	2.2
108.08929	4.2
109.01096	3.8
109.06532	8.9
109.07648	12.8
115.05450	5.2
117.07050	6.7
118.06553	1.5
119.06074	6.4
119.08582	17.6
120.05701	1.3
120.09369	3.8
133.10121	1.6
134.07243	1.0
135.04425	14.3
135.05540	2.4
135.06613	2.9
135.08063	42.3
135.09096	2.4
135.10854	0.7
135.11687	40.4
136.02164	72.7
136.03938	4.7
136.05093	2.8
136.06195	27.1
136.07562	10.4
136.08691	24.0
136.12068	1.6
137.04620	2.1
137.09654	1.5
147.09145	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	134.9967
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85312	21.9
63.02713	27.8
69.97311	100.0
69.97726	46.6
73.02910	71.0
93.07030	31.5
102.13947	24.2
120.02011	26.6
121.01672	45.6
131.01915	42.7
136.02156	35.0
142.03493	30.2
143.03568	40.9
144.03284	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	135.0805
Annotation	Indan-1-ol
Peak:m/z	Relative Intensity
53.03939	3.9
55.01875	17.7
55.05506	1.9
56.73005	1.1
65.03942	7.9
67.05520	7.1
68.97662	1.4
69.03426	19.8
69.45118	7.3
69.45523	3.4
76.26012	1.0
76.94873	1.1
78.88739	1.1
79.05493	59.1
80.05830	1.9
91.05479	100.0
92.05779	2.7
92.06288	2.3
93.07040	25.3
95.04969	10.4
105.07031	38.1
105.29929	1.3
107.04938	9.1
107.08594	86.1
108.08913	4.8
109.01115	2.5
109.06517	23.6
115.05451	31.5
117.07018	29.9
118.07382	2.2
119.06084	7.9
119.08586	4.3
126.05984	1.2
135.04396	4.3
135.05403	2.1
135.08051	71.8
135.09102	3.5
135.11700	8.0
136.02164	47.9
136.03877	3.5
136.06186	16.1
136.07518	2.9
136.08429	5.4
137.09642	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
50.61259	0.7
51.02384	0.8
53.03948	1.2
55.01900	0.9
55.05503	2.4
56.96556	1.7
57.76966	0.8
58.05342	0.9
65.03948	0.8
67.05516	0.8
71.16951	1.0
71.17281	1.0
74.02430	1.1
79.05499	6.4
87.05628	0.9
88.02224	1.9
91.05486	20.2
93.07041	5.5
94.30432	0.7
95.04971	1.7
103.05477	3.0
105.03378	1.5
105.07036	66.7
106.06629	1.0
106.07377	3.5
114.14738	0.7
115.05472	5.3
116.06310	0.8
117.07024	5.1
118.07809	6.0
124.02172	0.7
127.18980	0.7
131.08597	10.7
133.02875	0.9
133.06523	8.5
133.10139	100.0
134.06015	2.9
134.07108	2.8
134.09668	0.8
134.10501	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03943	1.0
55.01874	1.2
55.05506	1.7
56.96551	0.8
59.65367	0.6
60.06980	0.5
67.05511	0.6
69.03437	0.6
70.90771	1.1
74.02430	0.8
74.06143	0.7
79.05489	6.6
80.41190	0.5
87.05614	0.7
88.02214	1.7
91.05481	13.3
92.05817	0.6
93.07051	7.9
95.04978	1.9
97.02898	0.7
103.05441	3.2
105.03395	1.2
105.07031	100.0
106.06624	1.0
106.07362	4.8
111.83628	0.6
115.05442	3.0
117.07004	2.8
118.07802	2.4
131.08568	4.7
133.02869	1.5
133.06511	17.4
133.07556	1.8
133.10130	56.1
134.05992	3.1
134.07104	2.0
134.09564	1.2
134.10481	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03939	0.7
55.05502	2.4
60.04517	0.4
67.05518	1.0
70.26059	1.4
70.26433	0.9
75.33292	0.4
77.03944	0.5
77.44247	0.5
79.05492	5.2
82.36291	0.4
88.02243	0.5
91.05486	17.0
92.05782	0.5
93.07042	5.1
94.08054	0.5
95.04989	2.2
99.97939	0.4
103.05480	3.2
105.03436	0.5
105.07036	57.1
106.07346	2.4
107.08611	1.2
115.05450	4.2
116.06244	0.5
117.07027	4.9
118.07814	6.0
119.08164	0.5
129.07037	0.7
131.08569	5.7
132.08884	0.5
133.06512	5.2
133.10136	100.0
134.06007	0.4
134.07086	0.6
134.09641	0.7
134.10483	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	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03947	0.6
55.05513	1.3
58.05326	0.3
65.03983	0.2
67.05508	0.6
68.82079	0.3
70.05496	0.9
70.05921	0.5
77.03938	0.4
79.05486	4.4
88.02211	0.3
91.05478	14.0
92.05805	0.4
93.07040	4.8
95.04966	1.1
103.05467	2.1
105.07026	39.5
106.07362	1.8
107.08582	1.0
115.05450	4.1
116.06255	0.8
117.07013	4.8
118.07808	5.7
129.06995	0.7
131.08575	5.6
132.08917	0.3
133.06625	1.3
133.10124	100.0
134.06097	0.5
134.07054	0.5
134.10454	5.9
135.08008	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	133.1013
Annotation	Tetralin
Peak:m/z	Relative Intensity
53.03944	2.1
55.01867	1.9
55.05505	3.2
56.96556	1.6
58.05334	3.4
59.06123	1.9
61.30253	1.1
65.03938	1.4
69.26472	12.6
75.05593	1.3
79.05486	8.4
85.04029	2.5
87.05604	1.9
88.02250	1.3
88.07629	1.2
91.04971	1.7
91.05491	25.2
93.07040	4.4
95.04985	2.3
103.05476	4.7
105.03419	1.3
105.07034	79.8
106.07374	2.6
115.05521	5.6
117.07027	5.4
118.07801	7.3
126.46261	1.2
129.06998	1.5
131.08569	10.1
133.02849	1.0
133.06520	24.7
133.07495	1.8
133.10139	100.0
134.06018	3.0
134.07034	3.1
134.09595	1.5
134.10498	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	133.1012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
55.05500	3.4
58.05344	1.8
59.11559	0.7
65.03915	0.9
67.05488	1.1
69.03453	0.9
69.68441	5.7
71.75403	0.7
73.76112	0.7
74.02430	1.0
74.06083	0.9
77.03915	1.3
79.05493	8.9
81.85221	0.7
85.04025	1.6
87.05573	1.7
88.02203	1.3
91.05482	20.6
92.05805	1.1
93.07029	3.8
95.04972	2.1
97.02908	1.5
103.05492	4.6
105.03406	1.7
105.07030	79.6
106.06581	1.2
106.07367	2.6
107.08572	1.3
115.04824	0.6
115.05470	5.8
116.06260	1.4
117.07043	5.1
118.04171	0.9
118.07804	5.6
123.07978	0.8
129.07068	0.8
131.08577	8.5
133.02852	2.4
133.06505	20.0
133.10133	100.0
134.06018	5.5
134.07065	2.9
134.10493	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	132.102
Annotation	Isoleucine
Peak:m/z	Relative Intensity
55.05486	0.5
56.05036	0.5
56.96553	0.9
57.03428	0.5
58.06602	0.5
60.05649	0.4
60.08165	0.6
60.63348	0.4
69.07064	10.5
70.06571	0.3
70.41585	1.2
72.04517	0.4
72.05641	0.8
73.02898	0.6
74.06062	1.3
77.09202	0.5
84.01588	0.5
86.09702	100.0
87.02682	0.5
87.04456	1.0
87.10033	3.2
89.02040	0.4
90.05539	0.6
110.45654	0.3
114.06673	0.5
114.09159	0.8
119.01849	0.6
132.07687	0.9
132.10199	4.4
132.11192	0.6
150.38651	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1021
Annotation	Isoleucine
Peak:m/z	Relative Intensity
53.90191	0.5
56.96559	0.9
59.39747	0.5
69.07063	1.8
69.11818	0.5
70.85950	1.6
70.86301	0.6
73.06570	0.6
75.94070	0.6
80.39445	0.5
81.08630	0.5
86.09708	100.0
87.10034	2.5
114.62766	0.5
121.26870	0.6
132.10226	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	133.1013
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03950	1.7
55.05503	3.1
56.05007	1.0
56.91114	0.7
56.96558	1.4
57.19271	0.7
58.05349	4.0
58.35983	0.7
59.06107	0.8
65.03930	0.8
67.05508	1.0
69.03446	1.0
70.06578	1.0
71.57614	1.4
73.02898	1.1
74.06078	2.6
75.05598	2.8
77.03948	0.9
79.05489	7.2
85.04030	3.9
87.05606	2.1
88.02195	1.5
91.05486	25.4
93.07044	5.4
95.04966	1.2
97.02913	1.0
103.05469	4.7
105.03393	1.4
105.07030	81.9
106.06575	2.0
106.07381	2.8
107.06094	0.9
107.08571	1.0
115.05487	5.9
115.08673	0.8
116.07066	1.0
117.07013	5.5
118.04160	1.1
118.07816	7.4
131.08557	9.8
133.02856	1.5
133.05379	0.9
133.06526	16.3
133.10132	100.0
134.06015	3.4
134.07069	2.2
134.10481	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	129.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26542	0.5
50.76071	0.5
53.00301	0.9
53.03940	1.2
53.70902	0.6
55.01873	2.8
55.03006	1.0
55.05511	8.5
56.05040	4.7
56.96571	1.4
57.03433	2.4
57.05824	0.6
57.07076	2.1
58.06598	2.1
59.05006	6.2
59.06129	3.1
59.16813	0.5
60.04519	1.2
65.03949	0.6
67.05506	5.1
68.05014	1.4
69.03432	29.0
69.07069	35.1
69.95724	0.8
69.96143	2.2
70.02945	0.6
70.06594	10.4
70.07412	1.0
71.01333	0.5
71.04996	4.0
71.06925	1.9
71.07307	0.5
72.04521	6.5
72.08160	9.4
73.03983	0.5
73.05322	0.6
73.06560	1.7
74.06078	1.7
74.09718	1.7
75.68491	0.5
78.30936	0.5
79.05504	1.4
81.07044	1.1
82.06576	1.9
83.01352	0.6
83.04987	4.7
83.06107	1.8
83.06902	0.6
83.08633	3.6
84.04509	19.3
84.06454	0.9
84.08146	24.5
85.02911	1.4
85.04034	0.8
85.06540	4.5
85.07664	8.3
86.06071	2.4
86.09702	0.9
87.00818	1.3
87.04467	2.2
87.05603	1.8
87.09229	5.2
88.03980	0.7
88.07639	2.5
92.72585	0.5
94.06553	1.5
95.04951	0.9
97.02921	2.0
97.06477	1.3
98.07211	0.6
99.05569	1.6
99.09223	0.7
101.06011	0.9
101.07118	0.6
102.05555	1.0
106.02855	1.3
111.03319	0.8
111.04442	2.5
111.05586	2.0
111.08083	1.5
111.09209	1.7
112.03976	1.4
112.05118	2.6
112.07609	100.0
112.09535	5.0
113.05904	1.0
113.07137	4.8
113.10760	0.7
115.03358	0.5
126.52313	0.6
128.06223	1.6
128.95038	0.6
129.01846	31.0
129.04384	3.9
129.05487	6.9
129.06688	1.7
129.09264	0.9
129.10242	3.6
130.02177	1.4
130.05067	2.9
130.06572	8.9
130.08650	33.5
130.09715	2.1
130.12285	0.8
130.13289	0.6
130.15926	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	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02351	0.6
52.20521	0.4
53.03948	7.0
54.03445	2.0
55.01875	0.9
55.05517	2.8
56.05036	4.2
57.07047	1.5
58.06573	0.6
62.94929	0.5
65.03918	1.4
67.05502	11.4
68.05031	3.6
68.05817	0.4
69.03407	0.5
69.04540	1.0
70.06565	1.3
70.56488	0.8
70.56857	0.9
77.03931	1.3
79.05493	4.1
80.05019	8.7
81.03400	1.2
81.04546	6.9
81.07058	27.0
82.05305	1.7
82.06564	0.7
82.07381	0.8
83.05647	1.2
83.06107	11.2
89.42567	0.4
92.50709	0.4
93.07049	2.4
95.04970	100.0
95.08603	12.5
96.04510	5.1
96.05257	4.0
96.08154	0.8
97.07658	5.9
98.20609	0.5
100.02502	3.2
101.97993	0.4
105.00136	0.4
105.03412	0.7
105.04500	2.9
105.07033	1.7
106.06574	0.7
106.07326	0.6
107.04970	0.7
107.06075	5.7
108.05751	2.8
108.07693	1.3
112.03963	2.4
118.03506	3.3
119.01900	0.9
123.04475	30.7
123.05589	18.8
123.06634	1.0
123.08108	24.8
123.09164	1.4
123.09900	2.6
123.11705	10.6
123.12569	0.6
124.03959	13.6
124.04808	1.5
124.07637	1.6
124.08710	13.8
124.12164	0.5
137.03008	0.5
137.62341	0.4
140.03540	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.5
53.03947	8.7
54.03461	1.5
55.01883	0.6
55.05505	2.2
56.05042	3.8
56.96567	0.5
57.07062	1.4
58.89699	0.4
60.24972	0.5
65.03953	0.9
67.05503	12.7
68.05033	2.7
69.04527	0.7
69.07079	0.4
69.78054	2.8
70.06596	1.7
77.03918	0.9
79.05060	0.6
79.05494	7.0
80.05016	7.9
81.03441	1.0
81.04539	5.7
81.07055	44.4
82.01468	0.8
82.05322	1.0
82.07384	1.1
83.05647	0.9
83.06104	7.7
84.06890	0.4
88.02392	0.7
93.07047	1.4
93.92461	0.4
95.04967	100.0
95.08595	7.3
96.04497	4.8
96.05262	3.3
96.08169	0.4
96.08962	0.4
97.07652	5.7
100.02483	5.1
101.02530	0.5
105.04513	3.5
105.07041	0.7
106.07354	0.8
107.06068	5.6
108.05709	2.4
108.07665	1.6
112.03984	1.9
118.03526	5.4
119.01937	1.1
119.03689	0.6
121.06566	0.7
123.04436	29.0
123.05553	19.5
123.07330	0.7
123.08138	9.5
123.09149	0.8
123.09982	3.4
123.11697	9.9
124.03955	12.7
124.04798	1.3
124.07718	0.9
124.08715	12.1
124.12060	0.5
140.03438	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0555
Annotation	Picolinamide
Peak:m/z	Relative Intensity
51.02361	0.5
53.03943	5.4
54.03463	0.6
55.01865	0.7
56.05031	1.2
56.39631	0.2
56.96561	3.3
57.03415	0.3
58.06585	0.4
58.99862	0.3
60.65459	0.2
65.03919	0.5
65.66467	0.2
67.05507	2.6
68.05027	1.1
69.04550	0.5
70.06562	0.5
70.76472	0.5
70.76805	0.4
77.03921	1.0
78.03439	1.1
78.06320	0.4
79.05473	1.1
80.05012	27.5
81.03424	1.1
81.04553	1.3
81.05347	0.6
81.07053	2.1
82.01424	1.3
82.05311	0.3
83.06112	3.5
84.08155	0.3
88.02325	0.3
89.52355	0.4
91.00498	0.4
95.04964	85.9
95.08592	0.5
96.04488	9.4
96.05298	2.4
97.02895	0.8
97.04831	0.4
97.07658	1.1
98.52833	0.4
100.02478	13.2
101.00864	0.9
101.02579	1.0
101.03149	0.2
103.24630	0.2
105.03376	0.4
105.04518	3.3
106.02882	1.7
107.06094	1.5
109.00494	0.4
109.02887	0.7
110.01280	0.6
112.03970	0.7
117.10280	0.3
118.03516	12.2
119.01908	7.4
119.03607	0.9
123.04459	25.1
123.05554	100.0
123.11729	0.7
124.03955	7.7
124.04806	0.9
124.05872	2.9
124.07677	0.5
124.08706	2.4
137.02951	3.8
140.03421	0.3
141.05058	0.4
142.03484	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.8
53.03946	6.2
54.03465	1.1
55.01857	0.6
55.05508	0.7
56.05044	1.7
56.96568	4.5
57.03423	0.3
58.06605	0.5
58.99869	0.5
65.03940	0.4
67.05505	3.0
68.05034	2.1
69.04557	0.6
69.98828	1.0
69.99234	0.7
70.06597	0.5
77.00940	0.4
77.03919	1.4
78.03449	0.8
78.06336	0.5
79.05482	1.0
80.05015	28.1
81.03430	1.0
81.04527	2.4
81.05360	0.5
81.07057	2.3
82.01443	2.3
82.05299	0.6
83.06104	5.1
84.08151	0.5
88.02319	0.6
95.04967	95.7
95.08608	1.0
96.04489	9.1
96.05296	2.8
96.08144	0.5
97.02865	1.4
97.07641	1.6
97.99177	0.4
98.52876	0.5
100.02481	20.3
101.00868	0.8
101.02558	1.2
105.04510	3.5
106.02888	1.7
107.06068	2.0
107.63876	0.3
108.53670	0.4
109.00510	0.4
109.02876	1.2
110.01272	1.0
112.03974	0.9
117.10254	0.6
118.03520	19.5
119.01910	10.4
119.03648	1.2
121.01522	0.4
123.04454	30.2
123.05555	100.0
123.09190	1.0
123.11723	0.4
124.03955	9.2
124.04790	1.0
124.05864	2.7
124.07696	0.6
124.08706	4.6
129.66658	0.3
137.02962	6.2
140.03384	0.6
141.05096	0.9
142.03506	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	123.0405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
55.01859	1.5
56.96550	2.8
57.03425	3.5
57.07630	0.8
58.99853	3.0
61.02914	3.7
61.96373	0.8
66.58757	0.9
67.05495	1.4
68.02636	0.9
69.01907	1.6
69.03428	3.2
71.57932	1.4
73.02900	2.6
74.75392	0.8
75.01899	1.1
76.52278	0.9
77.00892	3.8
78.03448	3.3
78.52955	1.5
80.05013	12.3
81.01917	1.1
81.03416	3.0
82.01433	11.0
85.02893	3.1
86.52711	2.4
87.53460	1.1
88.02702	5.0
89.02512	1.2
90.02405	1.3
93.53494	1.5
95.04974	19.4
96.04496	5.3
97.02905	3.0
98.52740	1.4
100.02478	100.0
101.00885	7.6
101.02528	5.6
102.02345	2.7
106.02905	7.6
106.53117	0.9
109.02829	1.7
111.02934	2.8
115.02482	1.7
118.03516	92.8
119.01920	43.4
119.03600	6.3
120.01954	1.1
120.03350	1.9
121.01654	1.4
123.04340	3.4
123.05547	49.5
123.09181	1.0
124.03967	9.6
124.05915	1.2
124.08706	1.5
131.01904	6.7
133.03458	1.2
137.02953	18.3
141.05119	4.4
142.03510	8.1
143.01944	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	123.0406
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03706	0.8
53.03943	8.0
55.01880	0.9
56.96555	1.9
57.03450	1.2
58.99856	1.4
61.02932	1.1
63.07643	0.6
67.05505	3.9
69.03422	1.7
70.06573	0.6
70.95026	1.4
70.95402	1.3
77.00909	1.0
77.03952	0.7
78.39418	0.6
79.05476	0.9
80.05017	14.9
81.03403	2.8
81.07059	2.7
82.01434	3.6
84.08137	1.5
85.02920	0.8
87.53487	0.7
88.02675	1.3
93.24101	0.6
94.73392	0.6
95.04968	100.0
95.08588	0.7
96.04489	6.7
96.05296	2.8
100.02482	41.9
101.00859	2.0
101.02587	2.4
102.02372	1.5
103.46151	0.6
104.13888	0.7
105.04503	3.2
106.02916	2.4
109.02863	0.9
111.02955	1.2
112.03966	2.5
116.17245	0.6
117.10281	0.8
118.03522	38.8
119.01923	14.1
119.03632	2.6
120.03374	1.2
123.04440	24.6
123.05563	40.8
123.08051	3.0
124.03959	18.0
124.04774	0.6
124.05920	0.9
124.08766	1.6
131.01903	1.5
131.46849	0.7
133.03468	1.2
137.02953	4.2
140.03435	1.3
141.05107	1.8
142.03503	2.8
143.01895	0.8
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
53.03945	4.5
54.03471	1.8
54.72982	0.9
55.05495	2.8
61.19749	0.9
65.03950	2.3
67.05502	1.8
68.64016	0.8
69.56309	5.8
69.56722	2.0
77.03921	1.4
79.05496	40.3
81.04536	3.7
81.05672	1.0
81.07073	1.6
81.70910	0.9
82.05334	6.1
91.05485	17.6
93.07045	40.6
94.06549	2.2
94.07400	1.1
95.04980	10.5
95.06086	2.8
103.05478	14.0
104.05784	1.4
105.04516	2.8
105.07035	100.0
106.07915	6.7
107.07349	10.5
119.08584	14.5
120.05700	1.1
121.02888	2.5
121.06489	4.1
121.10146	79.6
122.06153	1.9
122.07153	25.3
122.09676	16.3
122.10469	2.2
123.08073	17.1
133.07623	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	121.1015
Annotation	3-Ethyltoluene
Peak:m/z	Relative Intensity
53.03948	3.7
53.04785	0.7
54.03471	7.3
54.04261	0.7
55.01852	0.9
55.05495	2.4
56.05027	0.7
58.58084	0.7
65.03931	2.3
67.02983	0.9
67.05497	1.9
68.05036	3.9
70.06599	1.8
70.75361	2.3
77.03915	1.3
79.02983	0.9
79.05496	23.9
80.05032	1.1
80.65683	0.6
81.04542	19.9
81.05788	1.7
81.07060	1.1
82.05328	24.3
86.70876	0.6
91.05482	13.8
92.03477	1.0
93.07050	30.0
94.06584	6.5
94.07395	1.6
94.61901	0.8
95.04993	8.6
95.06094	14.5
103.05482	11.4
104.05755	1.0
105.04548	5.7
105.07033	64.0
106.06553	1.9
106.07257	1.1
106.07809	2.9
107.04843	1.2
107.07340	27.4
119.08598	8.4
120.08107	1.0
121.02899	3.7
121.03974	2.9
121.06504	13.2
121.07615	2.3
121.10144	48.1
122.06121	4.4
122.07156	100.0
122.09666	50.7
122.10455	3.3
123.08070	8.9
133.07649	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	121.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	6.3
54.03471	5.3
55.05499	3.4
55.71707	0.8
59.44875	0.8
65.03934	3.0
67.05499	1.6
68.05000	1.0
71.05599	2.0
74.68153	0.8
77.03871	1.6
79.05492	41.2
80.05854	1.0
81.04545	10.1
81.07040	2.1
82.05322	11.4
91.05479	21.6
92.05799	1.0
93.07041	46.4
94.06553	2.2
94.07395	1.2
95.04958	12.1
95.06073	5.3
96.05312	0.9
102.18525	0.8
103.05471	18.4
105.04522	3.2
105.07027	100.0
106.07266	2.3
106.07813	5.6
107.07329	13.2
119.08588	14.8
121.02873	4.0
121.03954	2.2
121.05113	1.1
121.06494	7.7
121.07699	2.0
121.10141	83.4
122.06102	2.8
122.07153	52.2
122.09669	29.7
122.10487	5.0
123.08072	18.4
133.07603	7.1
138.06781	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
53.03952	5.3
54.03469	4.4
54.35432	0.6
55.05504	2.2
55.17390	0.6
60.19411	0.6
61.36858	0.6
65.03934	2.1
67.05508	2.7
68.05028	1.6
69.76943	4.1
70.06593	0.7
76.49874	0.6
77.03936	1.1
79.05495	36.4
79.68290	0.7
80.05830	1.3
81.04546	9.3
81.07069	1.8
82.05322	11.2
91.05482	17.7
92.05803	0.8
93.07044	36.1
94.06573	0.8
94.07375	1.1
95.04975	10.8
95.06078	4.7
96.05244	0.8
98.20718	0.7
103.05476	17.6
105.04549	3.8
105.07033	100.0
106.06609	1.3
106.07308	2.8
106.07824	4.7
107.04908	1.4
107.07333	15.9
118.51860	0.8
119.08585	15.0
120.08107	0.7
120.08972	0.9
121.02866	2.3
121.04002	1.4
121.06539	9.7
121.07606	2.0
121.10143	82.6
122.06094	2.4
122.07154	44.1
122.09669	34.0
122.10477	3.8
123.08067	18.2
124.08398	0.8
133.07620	6.3
138.06766	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	119.0858
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.65029	0.7
53.03926	2.0
53.32708	0.6
56.05037	1.0
59.06126	25.1
60.04505	3.0
60.07702	1.0
61.02913	0.8
65.03928	2.2
71.59039	1.1
74.06079	4.2
75.05602	1.2
77.03522	1.7
78.04668	0.7
79.05507	4.9
81.22375	0.8
85.07690	0.7
87.05579	5.3
91.05483	80.4
92.04992	1.3
92.05800	2.1
93.07053	3.5
95.04946	2.7
103.05476	9.1
104.05740	0.7
104.06264	8.1
109.06472	0.9
113.83713	0.6
115.05444	2.9
117.06213	1.3
117.07021	19.6
119.04917	1.4
119.06147	3.5
119.08573	100.0
120.04484	1.2
120.05589	4.7
120.08075	2.6
120.08920	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	120.081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18295	1.2
63.79119	1.0
71.11954	2.5
91.05493	6.0
93.07054	11.0
95.04962	4.4
103.05470	54.2
104.05802	1.0
120.08106	100.0
121.08431	3.8
124.49095	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	118.0865
Annotation	L-Valine
Peak:m/z	Relative Intensity
53.03942	0.5
55.05512	14.8
56.05037	0.6
56.05840	0.2
56.96568	0.3
57.05815	0.9
57.14022	0.2
58.06602	1.5
59.04993	0.4
59.06122	1.4
59.07372	0.9
67.94141	0.2
70.06596	0.5
70.85731	0.2
71.09379	0.4
72.08154	100.0
73.07841	0.3
73.08482	2.2
74.06093	0.3
83.52322	0.2
85.00770	0.2
88.07635	0.3
91.05478	2.2
100.07603	0.5
101.06046	0.2
118.06624	0.4
118.08653	4.9
118.10587	0.6
119.06118	0.2
119.08570	0.4
124.70464	0.2
138.65817	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	116.0709
Annotation	D-Proline
Peak:m/z	Relative Intensity
55.01879	1.2
55.05510	0.7
56.05041	1.6
56.96570	4.2
57.03448	0.6
57.04559	5.9
57.84702	0.5
57.93571	0.6
58.02959	1.1
58.06603	0.7
59.03745	0.6
59.05011	0.7
59.06128	5.6
59.99107	2.3
60.04096	0.4
60.04527	3.0
60.05347	0.4
69.03422	3.3
70.02953	0.5
70.06593	100.0
70.74889	0.9
70.75273	0.8
71.04985	1.5
71.06927	2.7
72.04514	2.0
72.08148	0.7
73.02896	0.4
73.04077	0.4
73.07660	0.7
74.02431	0.4
74.06079	1.3
74.08002	0.8
74.09690	0.5
74.93835	3.4
75.05607	10.7
76.04010	1.0
76.07645	0.8
84.94595	0.4
85.02897	0.9
85.39513	0.4
88.02224	1.4
88.07635	3.2
91.05478	0.7
92.94865	1.7
93.03716	0.5
98.06041	2.4
99.00834	0.4
99.04446	0.9
99.05588	1.3
100.07635	1.1
110.95901	0.5
115.05511	2.0
115.96457	0.7
116.01600	0.4
116.03520	0.5
116.04269	0.7
116.07091	19.1
116.10724	1.8
117.05520	0.7
117.07076	2.1
117.10268	1.2
127.58592	0.5
133.97475	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1155.5383
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03416	0.2
81.07065	2.6
83.04968	0.2
83.08582	0.2
85.02897	0.3
91.05484	1.7
93.07033	2.2
95.04941	0.4
95.08603	1.7
97.10133	0.2
102.37157	0.1
105.07013	0.7
107.08584	0.9
109.10118	0.7
117.06979	0.2
119.08552	0.6
121.10178	0.8
123.11703	0.3
131.08543	0.4
133.10110	0.4
135.11684	0.4
145.10120	0.3
147.11574	0.2
153.01842	3.0
159.11754	0.1
162.20497	0.1
163.14854	0.2
169.97594	0.2
184.07304	0.3
197.06035	0.2
225.05290	0.2
253.04999	0.3
257.04495	0.2
267.06430	0.4
281.04440	0.5
287.05573	0.3
295.06036	1.5
297.03909	0.7
298.04666	0.9
299.05508	0.5
307.06006	0.1
309.07629	0.1
310.04709	0.5
311.05515	9.7
312.05850	0.3
321.07584	0.2
323.05502	100.0
324.05914	5.0
325.07047	0.8
332.06866	0.2
333.07544	0.2
335.05496	0.6
335.25800	7.4
336.26089	0.4
337.07022	3.6
338.07379	0.2
347.05600	0.2
348.06253	0.3
349.07028	4.0
350.07675	0.5
351.08493	0.6
353.06516	0.4
361.06955	0.7
363.08521	0.5
365.06305	0.3
375.08731	0.2
389.05072	0.1
399.12256	0.2
407.14905	11.6
408.15610	0.7
417.13327	2.3
435.14407	61.5
436.14761	3.8
437.15927	0.2
451.17447	0.8
453.15546	1.7
459.14420	0.2
461.15753	0.2
477.15793	0.2
479.17038	13.4
480.17462	0.8
491.17163	0.5
497.18311	0.7
501.14673	0.2
509.18066	5.0
510.18326	0.2
527.19202	0.5
535.19464	0.4
553.20679	6.5
554.21088	0.3
571.21899	1.2
579.17810	0.2
597.19556	0.3
605.21033	0.2
641.22351	1.4
671.22632	0.2
715.26160	1.1
733.27100	0.2
769.39471	7.8
770.39813	0.8
787.40405	2.4
788.41431	0.2
813.42065	11.8
814.42419	1.2
831.43121	14.6
832.43463	1.4
931.44647	0.3
957.45721	0.3
975.47375	2.7
976.46783	0.4
993.48389	5.0
994.48596	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0757
Annotation	trans-3-Hexenoic acid
Peak:m/z	Relative Intensity
51.43656	0.6
53.03946	2.0
54.03465	0.6
55.01879	7.0
55.05515	8.0
56.03777	1.7
56.05038	10.3
56.48489	0.6
56.96567	2.3
57.03436	10.2
57.04565	2.7
58.02964	1.5
58.06606	1.4
59.03741	14.3
59.04998	7.0
59.06119	2.7
60.04519	3.0
66.91895	0.5
67.02979	0.7
67.05505	6.3
68.05036	1.2
69.03428	4.6
69.04553	2.7
69.07069	100.0
70.06593	16.9
70.07401	2.4
71.04999	2.0
71.34730	0.8
72.04538	0.8
72.08161	3.3
73.02911	1.1
73.06557	18.0
73.07684	10.0
73.75359	0.7
74.02446	0.8
74.04832	0.8
74.06075	6.7
74.06874	0.8
74.93841	4.2
75.05186	0.9
75.05606	1.2
75.96793	0.6
79.05493	17.9
80.05019	1.3
80.05851	1.1
82.05315	3.9
85.04012	0.8
85.07682	1.2
86.06075	1.2
87.00861	0.9
87.04477	7.5
87.05589	1.2
87.09241	1.5
88.07626	2.8
92.94859	1.1
95.04980	1.1
97.02910	1.6
97.04039	1.4
97.06533	57.8
97.07654	3.9
98.04767	1.3
98.06068	5.5
98.06793	1.2
98.09747	0.6
99.05605	1.4
99.06257	0.5
102.18317	0.6
107.96120	0.5
115.03938	7.4
115.05033	3.3
115.06899	0.9
115.07590	9.0
115.08746	5.5
115.09528	2.3
115.96458	0.8
116.07132	3.0
116.08228	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	1133.443
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05491	1.9
80.10275	0.2
81.03413	7.2
81.07050	2.3
83.04914	0.4
83.08614	1.4
85.02840	0.7
91.05475	2.6
93.07028	1.1
95.04958	2.9
95.08578	0.8
97.02842	0.7
97.06464	0.2
97.10111	0.2
102.67556	0.1
105.07019	1.7
107.04904	0.5
107.08524	0.6
109.06504	0.3
109.10147	0.9
111.04407	0.2
111.08015	0.5
115.05400	0.3
117.06951	0.4
119.08557	1.3
121.06496	0.2
121.10088	0.7
125.09515	0.2
128.06187	0.2
129.07010	1.2
131.04977	0.1
131.08537	1.1
133.06432	0.3
133.10092	0.8
137.09634	0.2
139.03830	0.4
141.06932	0.5
142.07663	0.3
145.10132	0.2
147.04341	0.2
147.08005	0.5
147.11664	0.8
149.09557	0.4
153.01820	10.9
153.06898	0.2
157.10138	1.0
161.05884	0.2
163.03860	0.2
165.06914	0.3
165.12737	0.2
169.06450	0.3
171.02844	0.4
171.04361	0.7
171.07999	0.2
173.05972	0.3
175.11148	0.9
179.08517	0.3
181.06427	0.3
183.08063	0.1
184.05128	0.2
185.05943	1.3
187.03864	0.5
193.06485	0.3
193.12212	1.9
197.05977	2.3
198.06699	0.4
199.03825	0.3
199.07478	0.4
211.03964	0.3
211.07477	0.8
211.13321	0.2
213.05389	0.3
221.05734	0.3
223.07535	0.3
225.05420	0.3
225.08960	0.2
233.05986	0.2
237.05435	0.5
239.06992	0.6
241.04939	0.3
247.07512	0.2
249.14830	0.3
251.06973	0.3
253.04886	0.4
257.04254	0.3
258.05148	0.3
263.06992	0.2
265.04919	1.1
266.05814	0.4
267.06531	1.2
267.15906	13.2
268.16183	0.2
269.04520	0.2
271.06119	0.2
275.07050	1.2
279.06531	0.6
281.04358	1.0
281.15234	0.3
282.05206	0.6
285.76212	0.2
286.04684	0.7
287.05289	0.3
293.04507	0.4
293.08084	0.4
294.05182	0.6
295.05997	5.1
296.06702	0.2
297.03925	1.7
298.04816	0.7
299.05716	0.4
303.06512	7.6
304.06918	0.4
305.04636	0.3
305.07904	0.2
306.04999	0.4
307.06009	1.1
309.03867	0.4
309.07492	0.4
310.04520	0.3
311.05533	3.7
319.05942	0.6
321.03900	2.5
321.07605	2.3
322.04639	0.6
323.05490	20.9
324.06155	2.9
325.07108	0.9
327.04990	0.3
331.05988	9.8
332.06604	1.0
333.07544	0.4
334.04706	1.1
335.05350	1.9
337.07022	2.9
345.07565	0.4
347.05499	0.2
348.06250	0.4
349.07047	9.4
350.07803	11.1
351.08420	1.3
359.09183	0.3
361.06729	0.4
363.08691	1.9
365.10190	0.4
375.08762	0.4
377.10016	0.4
425.14056	0.2
433.16461	19.6
434.16803	0.7
443.14847	0.8
445.16589	0.3
451.17603	0.8
461.15930	100.0
462.16235	4.0
479.16992	14.6
480.17407	0.4
485.15887	0.3
487.17871	0.2
497.18082	0.6
499.17569	0.4
503.17023	0.3
517.18634	0.7
527.17065	0.2
535.19672	5.7
536.19678	0.3
553.20660	5.0
571.21490	0.5
619.17920	0.4
623.21204	0.2
637.19165	5.8
638.19421	0.2
655.20239	7.7
656.20215	0.3
711.22552	1.6
727.31055	8.2
728.31494	0.3
729.23694	4.1
745.32141	26.4
746.32361	1.4
747.25146	0.8
763.33221	10.3
764.33527	0.6
777.31085	0.2
787.33160	0.5
795.33923	0.6
823.32770	0.2
897.69733	0.2
903.34119	4.2
904.34845	0.3
921.35333	22.4
922.35687	1.4
939.36383	10.5
939.55963	0.3
940.36633	0.7
971.34863	0.2
1042.32751	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	o-Cresol
Peak:m/z	Relative Intensity
53.00322	0.7
53.03945	9.5
55.01876	4.3
55.05518	5.9
65.03952	5.4
67.05504	61.3
68.05026	5.0
68.05824	0.9
69.04553	1.5
69.07058	3.8
71.16940	1.8
72.01059	0.9
72.93806	0.8
79.05495	32.4
79.05962	1.6
81.03420	10.9
81.07058	43.6
82.06583	5.0
82.07386	1.0
86.00688	1.2
86.50633	0.8
86.78392	0.7
87.00463	12.7
88.24010	0.7
91.05479	9.8
94.04169	3.4
98.51255	1.6
107.04968	1.9
107.08596	2.2
109.02898	3.7
109.06520	100.0
109.07607	11.2
109.10159	45.4
109.10926	1.8
110.06096	3.7
110.07127	2.7
110.10491	0.8
110.34759	0.7
113.96400	3.4
127.58508	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.0652
Annotation	4-Cresol
Peak:m/z	Relative Intensity
51.02366	0.6
53.03947	5.5
55.01870	3.4
55.05504	1.5
65.03941	2.3
67.05505	20.2
68.05010	0.7
69.04546	1.4
69.07051	0.8
70.85731	1.4
70.86122	1.0
72.93790	1.0
77.99902	0.7
79.05491	27.5
80.05814	0.7
81.03419	5.0
81.07057	32.6
82.06574	0.6
86.00693	2.5
86.50634	1.3
87.00464	18.9
88.74546	0.5
91.05481	9.8
92.40591	0.5
94.04183	2.5
95.04945	0.7
95.51144	0.9
96.00981	3.6
98.51256	3.4
107.04967	0.6
107.08543	0.8
108.95903	0.5
109.02889	1.7
109.06517	100.0
109.07706	2.5
109.10151	12.6
110.06042	2.4
110.07196	4.5
110.10454	0.5
111.96912	0.7
113.96400	8.1
129.97888	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	1119.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05492	2.7
81.03416	3.3
81.07059	3.7
83.04988	1.1
83.08608	1.1
85.02905	2.4
91.03951	0.2
91.04898	0.3
91.05476	3.9
93.07039	1.7
95.04970	2.1
95.08604	1.4
97.02895	1.0
97.06538	0.4
99.04443	0.2
105.07021	2.4
107.04948	0.6
107.08608	0.7
109.02865	0.2
109.06532	0.5
109.10159	0.9
111.08096	0.7
115.03969	0.2
115.05499	0.2
117.07056	0.3
119.08577	1.5
121.10143	0.7
123.08112	0.4
126.05508	0.3
129.07043	1.1
131.08569	0.6
133.10104	1.0
138.05492	0.3
139.03909	0.3
141.06950	0.2
142.07767	0.3
147.04442	0.2
147.10596	0.2
147.11652	1.1
149.09660	0.6
151.11057	0.3
153.01825	11.3
153.06978	0.4
154.02202	0.3
157.06532	0.4
157.10114	1.0
165.07014	0.3
169.06522	0.5
171.02942	0.4
171.04408	0.8
173.06042	0.4
175.11215	0.6
183.08153	0.3
184.05231	0.3
185.05986	0.9
187.04002	0.3
193.12224	1.5
195.08032	0.3
197.05971	1.9
198.06743	0.6
199.07545	0.2
204.08727	0.5
209.05997	0.4
211.04024	0.2
211.07603	0.7
211.13242	1.0
213.05350	0.3
223.07524	0.3
233.05783	0.3
237.05418	0.6
239.03278	0.3
239.07190	0.3
241.04875	0.2
251.07129	0.4
253.04965	0.4
257.04501	0.6
258.05240	0.3
265.04929	1.3
267.06500	1.3
267.09009	0.3
267.15915	2.3
269.04532	0.2
271.06046	0.3
275.07166	0.7
279.06558	0.6
281.04443	1.0
281.15363	0.2
282.05231	0.3
283.05902	0.4
283.15491	0.3
285.10162	0.4
285.16962	7.6
286.04773	0.8
287.05591	0.9
293.04617	0.5
293.07950	0.3
294.05270	0.6
295.06009	5.8
297.03964	1.6
298.04700	0.6
298.54694	0.2
299.05618	0.5
303.06522	6.6
304.07132	0.4
305.04459	0.4
305.07916	0.3
307.06070	1.0
309.07751	0.4
310.04593	0.3
311.01944	0.3
311.05499	4.5
317.08209	0.3
319.05978	0.5
321.03949	2.6
321.07635	2.3
322.04678	0.6
323.05508	22.3
324.06250	3.0
325.07062	0.9
327.05365	0.5
331.06015	9.3
332.06802	1.1
333.07840	0.5
334.04831	1.2
335.05466	1.8
336.06125	0.3
337.07047	3.0
339.04712	0.2
339.08707	0.3
345.07587	0.5
347.05481	0.3
348.06403	0.5
349.07071	9.9
350.03482	0.5
350.07822	10.4
351.08475	1.4
361.06964	0.8
363.08514	2.0
375.08527	0.4
377.10239	0.4
425.14398	0.3
433.16489	20.5
434.16696	0.9
435.14270	1.0
443.14816	0.9
445.16934	0.3
451.17606	1.3
461.15958	100.0
462.16351	6.2
463.17056	0.4
468.17413	0.2
479.17044	14.6
480.17502	0.9
497.17639	0.8
503.17526	0.3
517.18811	0.6
527.17450	0.3
535.19568	6.0
536.19958	0.4
553.20667	5.0
554.21204	0.2
571.21948	0.6
619.17645	0.2
635.26147	0.3
637.19263	6.4
638.19806	0.3
640.32355	0.3
655.20270	4.5
656.20801	0.3
697.26239	0.3
709.29822	0.2
711.22681	1.8
727.30951	3.6
728.31995	0.3
729.23468	2.3
745.32166	16.6
746.32281	1.2
747.25323	0.3
763.33240	24.6
764.33185	1.9
777.30762	0.3
781.34357	3.4
782.33820	0.3
903.33429	0.9
907.35706	0.3
921.35394	5.2
922.35217	0.6
939.36353	10.5
940.36371	0.9
957.37213	1.6
1012.54877	0.2
1072.81787	0.3
1075.64160	0.3
1128.81580	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
51.02359	0.9
51.41489	0.8
53.03954	6.5
53.47918	0.8
57.04555	1.3
59.03739	1.0
60.04524	2.6
65.03940	1.4
67.11892	0.9
69.60499	6.1
76.04004	1.3
79.05495	33.7
87.06389	1.0
88.04799	1.6
95.04972	13.6
103.05463	21.9
105.03407	1.2
105.04506	4.7
105.07030	100.0
105.11059	6.6
106.06577	2.0
106.07391	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	107.0494
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02375	1.1
53.03945	8.1
55.01858	1.1
55.28531	0.5
56.05048	0.5
56.96561	7.2
65.03934	2.2
66.03453	1.0
67.04248	6.0
67.05502	0.9
71.33645	0.7
74.97608	0.9
77.03930	1.1
77.88593	0.5
79.05491	100.0
80.05019	13.3
80.05820	3.3
80.06278	1.7
81.03424	0.8
81.04548	1.2
83.52351	1.5
84.01562	4.0
84.08142	0.7
90.04732	0.8
91.05478	18.9
92.52885	1.0
93.02071	3.2
95.04359	0.9
95.04966	16.9
95.52338	1.1
96.04427	1.1
105.04504	2.9
105.07018	5.3
106.06536	0.7
107.04954	66.6
107.06035	11.1
107.08582	9.8
108.04572	3.5
108.05756	5.7
108.08118	3.0
109.06525	3.4
112.96780	0.5
119.06078	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.62045	0.8
51.02366	1.0
53.03948	7.9
54.03464	1.2
54.46109	0.8
55.01863	1.0
56.96569	5.0
63.83613	0.9
64.40171	1.2
65.03938	11.9
66.03468	1.4
67.04250	9.2
67.05504	4.4
71.59562	1.4
73.16782	1.1
75.01019	0.8
77.03897	0.9
79.05495	50.5
80.05018	23.2
80.05780	1.3
81.03438	1.2
81.04539	1.1
84.01568	2.7
91.05481	100.0
92.05772	1.2
92.06255	3.0
92.52869	1.7
93.02099	3.1
93.05801	2.1
95.04971	17.2
96.04477	1.9
105.04533	3.1
105.07034	35.3
106.06593	1.8
106.07349	1.7
107.04959	67.6
107.06065	22.0
107.08593	53.6
108.04493	7.8
108.05643	7.0
108.08127	4.7
108.08836	1.7
109.06525	20.7
110.06861	1.0
114.34201	0.9
119.06079	6.0
124.05139	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	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
52.62514	0.4
53.03951	2.3
55.01861	0.6
65.03943	11.3
66.04266	0.6
67.04257	0.7
67.05497	2.6
69.73879	0.7
69.74286	2.6
77.03915	0.8
77.23543	0.5
79.05495	17.5
80.05017	2.8
80.05826	0.5
84.01569	0.6
88.41051	0.6
91.05482	100.0
92.05802	1.6
92.06312	2.4
95.04960	3.6
98.50471	0.4
103.05453	0.6
105.04552	0.9
105.07032	34.7
106.04180	0.7
106.06564	1.0
106.07330	0.9
107.04961	13.1
107.06095	1.3
107.08596	61.9
108.04485	1.5
108.05618	0.6
108.08162	1.1
108.08953	1.9
109.06516	25.7
110.06870	0.9
119.06063	7.2
124.05188	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	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03946	6.2
54.73007	0.8
60.04532	1.6
60.95849	2.7
61.08472	1.5
63.06288	0.7
64.95538	1.5
65.03933	2.4
69.80277	4.4
77.03941	0.9
79.05495	34.7
79.05967	1.7
80.05830	0.8
81.00892	0.7
87.00814	1.7
92.25587	0.8
95.04971	14.2
98.89886	0.9
103.05468	21.7
104.05780	1.0
105.04532	4.6
105.07030	100.0
105.10444	1.4
105.11062	6.6
106.06603	1.2
106.07361	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0703
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
53.03938	7.6
53.11436	1.8
60.08187	1.9
60.95866	15.5
64.95548	7.7
65.03938	6.0
65.53328	2.0
70.21317	8.7
79.05495	30.4
95.04973	18.7
103.05470	20.9
105.03420	4.1
105.04523	8.1
105.07040	100.0
105.11097	7.9
106.06546	7.6
106.07256	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	104.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.83147	0.3
56.05036	0.5
56.96563	2.6
58.06596	5.2
59.07374	0.7
60.04525	0.5
60.08160	30.9
60.95847	5.4
62.06062	0.5
65.88557	0.3
68.05009	0.4
69.03426	3.6
69.50710	0.8
70.75638	0.9
72.04510	0.8
74.06076	1.2
78.51234	0.5
81.01498	1.0
85.05485	0.3
86.06059	4.6
87.04462	9.4
89.70139	0.3
90.02030	2.1
90.51314	0.7
91.35512	0.3
98.52878	0.5
100.02470	0.6
104.07108	1.0
104.10737	100.0
105.11061	1.0
116.38600	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	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
53.98253	0.2
58.06597	3.2
59.07373	0.6
60.08159	32.9
61.08481	0.2
68.05000	0.2
69.03416	1.8
70.10749	0.7
70.11157	0.3
80.80342	0.2
86.06050	1.5
87.03929	0.3
87.04462	5.7
88.07627	0.2
96.86983	0.2
98.21404	0.2
104.10736	100.0
105.11063	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	103.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02367	1.7
53.03946	15.6
54.77481	1.0
56.05022	4.6
56.96336	1.0
56.96565	12.7
57.03414	1.5
57.05360	5.6
58.02954	1.7
58.06593	12.1
58.96132	1.1
59.06120	22.9
60.04525	5.5
60.08157	4.1
62.06084	13.9
64.94407	0.9
67.51064	2.1
68.05038	1.1
69.03424	2.0
69.07059	4.6
69.88871	5.4
72.04514	1.8
73.07662	4.5
74.06075	1.3
75.05595	3.4
75.13411	0.9
76.23093	1.1
77.03910	3.7
79.01865	1.2
79.52027	1.5
81.03362	1.1
82.96866	1.1
85.02884	1.4
85.04842	1.3
85.07650	3.2
86.06059	16.3
86.09671	1.6
87.04464	5.2
88.02388	1.8
88.52554	1.7
95.04961	34.9
98.21423	1.7
102.04677	3.4
103.03961	3.5
103.05459	100.0
103.08701	29.7
104.05788	1.8
104.10738	17.4
104.11859	1.1
105.04486	4.3
109.92257	1.0
111.49754	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	1002.5993
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	6.3
73.02914	4.8
79.05058	6.1
79.05496	90.8
80.05809	3.2
81.03428	23.3
81.07058	93.8
83.04967	12.3
83.08642	14.8
85.02906	20.3
85.06553	3.5
91.03972	12.1
91.04902	4.7
91.05482	95.5
93.07047	100.0
95.04957	17.7
95.08608	68.0
97.02900	15.8
97.06535	13.1
97.10165	6.1
98.20715	6.7
99.08086	6.9
103.05482	6.4
105.07033	90.5
106.17921	2.9
107.04935	5.4
107.08593	59.2
109.02869	3.3
109.06501	11.5
109.10159	30.8
111.04430	3.9
111.08074	9.7
115.05435	7.3
117.07033	41.2
119.08579	73.2
121.06528	3.8
121.10146	44.9
123.04459	3.0
123.08094	10.4
123.11701	5.0
125.09632	5.5
127.03905	6.6
128.06175	6.6
129.05482	6.1
129.06989	29.5
130.07841	3.6
131.08580	53.1
133.06497	3.6
133.10133	47.9
135.08138	7.3
135.11676	21.7
137.09637	5.2
139.11139	3.9
141.07019	8.3
142.07764	6.3
143.08568	37.0
144.09341	4.5
145.04938	8.7
145.10126	48.9
147.08041	6.4
147.11702	34.0
149.09630	12.8
149.13254	16.0
151.11128	3.5
155.08574	19.1
155.10612	3.2
156.09381	3.6
157.10117	28.4
159.11679	38.1
161.09698	4.2
161.13344	16.5
163.11159	8.5
165.07062	4.4
165.12764	3.4
167.08575	8.5
169.10114	22.9
171.11743	28.2
173.04529	3.2
173.11967	3.6
173.13231	19.3
175.14801	8.2
179.08603	3.5
181.10179	9.8
182.10910	3.8
183.11667	16.9
185.13271	19.0
187.11366	2.8
187.14810	8.1
189.11200	5.2
189.12790	3.4
189.16272	3.5
193.10229	3.1
195.11699	11.6
195.13777	5.4
197.13336	17.3
199.14845	11.9
207.11908	3.6
209.13289	6.7
211.14815	8.5
213.16428	5.8
215.14432	3.4
217.19553	2.9
221.13286	5.3
221.15431	3.3
223.14848	6.5
225.16341	5.2
227.18054	5.2
229.14304	5.9
231.21184	4.4
237.16537	3.8
239.17831	7.1
241.19518	15.1
249.16405	4.8
257.18979	9.6
259.20535	34.4
261.22369	3.7
267.16010	5.1
269.17349	14.6
273.18472	4.0
275.20081	12.2
291.19571	9.6
297.22458	3.8
315.23370	5.8
325.21637	4.0
333.24310	31.6
335.26086	19.1
339.23123	4.6
349.23767	10.4
365.23605	8.3
421.31747	3.7
423.33276	3.9
435.32465	9.5
453.33585	6.3
487.34262	3.8
501.35773	3.5
513.35663	11.2
515.37274	4.9
517.40015	6.7
527.37305	33.8
539.37378	3.6
545.38000	7.4
591.43976	5.9
607.43396	21.9
609.45105	82.2
610.45587	3.9
625.44672	27.3
643.44922	8.2
723.86597	3.4
771.50238	7.0
902.90228	4.1
1011.92218	3.8
END